PIEZ1_CAEEL Loading...

Isoform e 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 A0A061ACU2-6 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,440 aa.

>PIEZ1_CAEEL|A0A061ACU2-6|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEERFVSAGTVETNVDDVGQLISISESTASAPSGRGRGNTLLLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKFQDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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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
1M41.9Very low65.9Low203 Ų20367.8 Ų67.8100%138%0.381SS*.  0132.70-79.2171.7166.300108.9L143M1-L143 HydrophobicContact CB-CD2 3.53Å; M1-L143 VanDerWaalsContact O-CD2 3.28Å; M1-L143 WeakPolarHBondContact O-CD2 3.41Å
2T46.1Very low67.4Low87 Ų8762.5 Ų62.553%0.53435%0.352SS..BIsolated β-bridgetrans-100.2137174.143.80000109.9S144 R146T2-S144 WeakPolarHBondContact CA-O 3.47Å; T2-R146 HydrophobicContact CG2-CB 4.28Å
3V59.6Low68.1Low20 Ų2061.9 Ų61.912%0.12134%0.343CS..  trans-121.3130.6-172.5175.50000110.9L7 K8 I139 L143 S144 H145V3-L7 HydrophobicContact CG1-CB 3.98Å; V3-L7 HydrophobicContact CG1-CD2 3.71Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-K8 HydrophobicContact CG1-CG 4.08Å; V3-I139 HydrophobicContact CG1-CG2 4.48Å; V3-L143 HydrophobicContact CB-CB 4.44Å; V3-L143 HydrophobicContact CG2-CB 3.87Å; V3-L143 HydrophobicContact CG2-CD1 4.11Å; V3-L143 HydrophobicContact CG2-CD2 4.08Å; V3-L143 HydrophobicContact CG2-CG 4.23Å; V3-S144 PolarHBondContact N-O 3.38Å; V3-H145 PolarHBondContact O-ND1 3.01Å
4P64.4Low68.6Low79 Ų7966.1 Ų66.151%0.51336%0.363SS..  trans-65.5141.7179.924.8-33.2000111.8L6 L7 K8P4-L6 PolarHBondContact O-N 3.22Å; P4-L6 VanDerWaalsContact O-N 3.08Å; P4-L7 HydrophobicContact CG-CB 4.13Å; P4-L7 PolarHBondContact O-N 2.96Å; P4-K8 PolarHBondContact O-N 3.03Å
5P62.4Low69.6Low26 Ų2667.1 Ų67.117%0.16937%0.367CS..Hα-helixtrans-59.8-24.7-177.721.3-32.1000113.8K8 S9 I48 K50P5-K8 PolarHBondContact O-N 2.97Å; P5-S9 WeakPolarHBondContact O-CB 3.25Å; P5-S9 PolarHBondContact O-N 3.22Å; P5-I48 HydrophobicContact CB-CG2 4.4Å; P5-K50 HydrophobicContact CG-CG 3.85Å
6L65.2Low70.7Confident142 Ų14262.9 Ų62.974%0.74335%0.345SS*.Hα-helixtrans-66.1-39.9175.8-153.3157.6000111.4P4 S9 C10P4-L6 PolarHBondContact O-N 3.22Å; P4-L6 VanDerWaalsContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 2.96Å; L6-C10 WeakPolarHBondContact O-CB 3.28Å; L6-C10 PolarHBondContact O-N 2.73Å
7L74.7Confident71.4Confident86 Ų8659.4 Ų59.445%0.4533%0.326SS..Hα-helixtrans-66.5-46.6175.5-168.273.7000110.9V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 3.98Å; V3-L7 HydrophobicContact CG1-CD2 3.71Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; P4-L7 HydrophobicContact CG-CB 4.13Å; P4-L7 PolarHBondContact O-N 2.96Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 3.34Å; L7-C10 PolarHBondContact O-N 3.4Å; L7-C10 VanDerWaalsContact O-N 3.09Å; L7-V11 HydrophobicContact CG-CG2 4.49Å; L7-V11 WeakPolarHBondContact O-CB 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 3.5Å
8K77.7Confident72Confident12 Ų1259.3 Ų59.35%0.05233%0.334CS..Hα-helixtrans-55.3-43.1174.1-62.9-166.1173.7-166.10111.6V3 P4 P5 V12 I48 I139 V140 L143V3-K8 HydrophobicContact CG1-CG 4.08Å; P4-K8 PolarHBondContact O-N 3.03Å; P5-K8 PolarHBondContact O-N 2.97Å; K8-V12 WeakPolarHBondContact O-CG2 3.4Å; K8-V12 PolarHBondContact O-N 3.19Å; K8-I48 HydrophobicContact CB-CD1 3.65Å; K8-I139 VanDerWaalsContact CE-O 3.31Å; K8-I139 WeakPolarHBondContact CE-O 3.41Å; K8-I139 HydrophobicContact CG-CG2 4.28Å; K8-V140 PolarHBondContact NZ-O 3.44Å; K8-L143 VanDerWaalsContact CE-O 3.3Å; K8-L143 WeakPolarHBondContact CE-O 3.38Å; K8-L143 PolarHBondContact NZ-O 3.43Å
9S74.3Confident72.8Confident22 Ų2257.1 Ų57.115%0.15432%0.324CS..Hα-helixtrans-70.5-30178.2-170.80000113.6P5 L6 L7 K13P5-S9 WeakPolarHBondContact O-CB 3.25Å; P5-S9 PolarHBondContact O-N 3.22Å; L6-S9 PolarHBondContact O-N 2.96Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 3.34Å; S9-K13 VanDerWaalsContact O-CB 3.31Å; S9-K13 WeakPolarHBondContact O-CB 3.45Å; S9-K13 WeakPolarHBondContact O-CG 3.41Å; S9-K13 PolarHBondContact O-N 3.46Å
10C76.1Confident73.6Confident58 Ų5854.3 Ų54.339%0.39231%0.308SS..Hα-helixtrans-74.3-42.2177.5-168.40000111.4L6 L7 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.28Å; L6-C10 PolarHBondContact O-N 2.73Å; L7-C10 PolarHBondContact O-N 3.4Å; L7-C10 VanDerWaalsContact O-N 3.09Å; C10-V12 PolarHBondContact O-N 3.38Å; C10-K13 PolarHBondContact O-N 2.98Å; C10-L14 WeakPolarHBondContact O-CB 3.42Å; C10-L14 PolarHBondContact O-N 3.25Å; C10-L15 PolarHBondContact O-N 3.46Å
11V83.1Confident74.1Confident11 Ų1152.6 Ų52.67%0.06730%0.298CS..Iπ-helixtrans-59.2-43.9177.2165.30000111.9L7 L15 L16 T136 I139L7-V11 HydrophobicContact CG-CG2 4.49Å; L7-V11 WeakPolarHBondContact O-CB 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 3.5Å; V11-L15 HydrophobicContact CG1-CD2 4.48Å; V11-L15 HydrophobicContact CG2-CD2 4.39Å; V11-L16 PolarHBondContact O-N 3.06Å; V11-T136 HydrophobicContact CG1-CG2 3.37Å; V11-I139 HydrophobicContact CG1-CB 4.45Å; V11-I139 HydrophobicContact CG1-CD1 4.3Å; V11-I139 HydrophobicContact CG1-CG2 4.43Å; V11-I139 HydrophobicContact CG2-CD1 3.98Å; V11-I139 HydrophobicContact CG2-CG2 4.33Å
12V83.1Confident76.2Confident4 Ų444.9 Ų44.92%0.02427%0.266CS..Iπ-helixtrans-72-36.6178.1174.50000113.4K8 C10 P17 S42 L45 V58 V62 V140K8-V12 WeakPolarHBondContact O-CG2 3.4Å; K8-V12 PolarHBondContact O-N 3.19Å; C10-V12 PolarHBondContact O-N 3.38Å; V12-P17 WeakPolarHBondContact O-CD 3.1Å; V12-S42 PolarHBondContact O-OG 2.71Å; V12-L45 HydrophobicContact CG1-CD1 3.79Å; V12-V58 HydrophobicContact CG2-CG1 4.47Å; V12-V62 HydrophobicContact CG2-CG2 4.5Å; V12-V140 HydrophobicContact CG2-CG2 3.75Å
13K76.5Confident77.9Confident55 Ų5540.7 Ų40.724%0.23924%0.241CC..Iπ-helixtrans-100.9-12.3-168.2-67.4-176.2175.2179.30116S9 C10 P17 L45S9-K13 VanDerWaalsContact O-CB 3.31Å; S9-K13 WeakPolarHBondContact O-CB 3.45Å; S9-K13 WeakPolarHBondContact O-CG 3.41Å; S9-K13 PolarHBondContact O-N 3.46Å; C10-K13 PolarHBondContact O-N 2.98Å; K13-P17 WeakPolarHBondContact O-CG 3.4Å; K13-L45 VanDerWaalsContact CE-O 3.28Å; K13-L45 WeakPolarHBondContact CE-O 3.28Å; K13-L45 PolarHBondContact NZ-O 3.43Å
14L75.5Confident79.1Confident120 Ų12039.8 Ų39.863%0.62824%0.235SC*.Iπ-helixtrans-131.3-54.1-175.5-160.6123.7000111C10 A18C10-L14 WeakPolarHBondContact O-CB 3.42Å; C10-L14 PolarHBondContact O-N 3.25Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 3.49Å
15L83.2Confident79.8Confident81 Ų8140.5 Ų40.542%0.42423%0.234SC..Iπ-helixtrans-66-51.7-177.8-167.476.5000112.5C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 3.46Å; V11-L15 HydrophobicContact CG1-CD2 4.48Å; V11-L15 HydrophobicContact CG2-CD2 4.39Å; L15-A18 PolarHBondContact O-N 3.07Å; L15-A19 PolarHBondContact O-N 3.05Å; L15-L135 HydrophobicContact CD2-CD2 3.65Å
16L86.9Confident80.6Confident1 Ų140.7 Ų40.71%0.00523%0.233CC..Hα-helixtrans-61.6-52-179.6-177.658.2000114V11 A18 A19 L20 F61 T65 A132 T136V11-L16 PolarHBondContact O-N 3.06Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 3.09Å; L16-A19 PolarHBondContact O-N 3.06Å; L16-L20 HydrophobicContact CD1-CD1 4.12Å; L16-L20 HydrophobicContact CD1-CG 4.24Å; L16-L20 HydrophobicContact CG-CD1 4.08Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 2.86Å; L16-F61 HydrophobicContact CD2-CE1 3.74Å; L16-F61 HydrophobicContact CD2-CZ 4.41Å; L16-T65 HydrophobicContact CD1-CG2 4.14Å; L16-T65 HydrophobicContact CD2-CG2 4.4Å; L16-A132 HydrophobicContact CD1-CB 4.43Å; L16-T136 HydrophobicContact CB-CG2 3.91Å; L16-T136 HydrophobicContact CD1-CG2 4.26Å; L16-T136 HydrophobicContact CD2-CG2 4.21Å; L16-T136 HydrophobicContact CG-CG2 4.35Å
17P83.4Confident81.2Confident3 Ų334.3 Ų34.32%0.01920%0.199CC..Hα-helixtrans-65-31.5177.923.4-33000113.1V12 K13 L20 L21 A39 S42V12-P17 WeakPolarHBondContact O-CD 3.1Å; K13-P17 WeakPolarHBondContact O-CG 3.4Å; P17-L20 PolarHBondContact O-N 3.32Å; P17-L21 WeakPolarHBondContact O-CB 3.43Å; P17-L21 WeakPolarHBondContact O-CG 3.34Å; P17-L21 PolarHBondContact O-N 2.88Å; P17-A39 HydrophobicContact CB-CB 4.03Å; P17-S42 WeakPolarHBondContact CG-OG 3.22Å
18A82.5Confident81.4Confident58 Ų5830.9 Ų30.948%0.47918%0.182SC..Hα-helixtrans-64.7-43.8173.400000111.9L14 L15 L16 L21 A22L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 3.49Å; L15-A18 PolarHBondContact O-N 3.07Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 3.09Å; A18-L21 PolarHBondContact O-N 2.73Å; A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.16Å
19A86.4Confident81.5Confident17 Ų1730.3 Ų30.314%0.1418%0.18CC..Hα-helixtrans-64.3-40.417600000112.6L15 L16 A22 A23 I128 A132L15-A19 PolarHBondContact O-N 3.05Å; L16-A19 PolarHBondContact O-N 3.06Å; A19-A22 PolarHBondContact O-N 2.98Å; A19-A23 WeakPolarHBondContact O-CB 3.37Å; A19-A23 PolarHBondContact O-N 3.32Å; A19-I128 HydrophobicContact CB-CG2 4.11Å; A19-A132 HydrophobicContact CB-CB 3.47Å; A19-A132 VanDerWaalsContact CB-CB 3.47Å
20L89Confident82Confident0 Ų033 Ų330%019%0.188CC..Hα-helixtrans-67.1-41.9176.7-70.4170.5000112.5L16 P17 A23 A24 Y35 L38 A39 T65L16-L20 HydrophobicContact CD1-CD1 4.12Å; L16-L20 HydrophobicContact CD1-CG 4.24Å; L16-L20 HydrophobicContact CG-CD1 4.08Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 2.86Å; P17-L20 PolarHBondContact O-N 3.32Å; L20-A23 PolarHBondContact O-N 2.98Å; L20-A24 WeakPolarHBondContact O-CB 3.21Å; L20-A24 PolarHBondContact O-N 3.32Å; L20-Y35 HydrophobicContact CD2-CD1 3.85Å; L20-Y35 HydrophobicContact CD2-CG 4.34Å; L20-L38 HydrophobicContact CD1-CB 3.8Å; L20-A39 HydrophobicContact CB-CB 4.06Å; L20-T65 HydrophobicContact CD1-CG2 4.28Å; L20-T65 HydrophobicContact CD2-CG2 4.47Å
21L85.2Confident82.4Confident20 Ų2032.4 Ų32.411%0.10518%0.181CC..Hα-helixtrans-66.6-38.5174.4-75.9166.8000111.9P17 A18 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.43Å; P17-L21 WeakPolarHBondContact O-CG 3.34Å; P17-L21 PolarHBondContact O-N 2.88Å; A18-L21 PolarHBondContact O-N 2.73Å; L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 3.4Å; L21-I25 WeakPolarHBondContact O-CD1 3.34Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 2.69Å; L21-A39 HydrophobicContact CD1-CB 4.31Å; L21-A39 HydrophobicContact CD2-CB 4.22Å; L21-A39 HydrophobicContact CG-CB 3.78Å; L21-F249 HydrophobicContact CD2-CE1 4.38Å; L21-F249 HydrophobicContact CD2-CZ 4.45Å; L21-L317 HydrophobicContact CD1-CD1 4.35Å; L21-L317 HydrophobicContact CD1-CD2 4.26Å
22A84.5Confident82.3Confident40 Ų4031.9 Ų31.933%0.33118%0.178SC..Hα-helixtrans-61.8-47.2173.900000111.5A18 A19 A24 I25 I26A18-A22 WeakPolarHBondContact O-CB 3.43Å; A18-A22 PolarHBondContact O-N 3.16Å; A19-A22 PolarHBondContact O-N 2.98Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 3.11Å; A22-I25 PolarHBondContact O-N 3.47Å; A22-I26 WeakPolarHBondContact O-CD1 3.33Å; A22-I26 VanDerWaalsContact O-CG1 3.25Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 3.22Å
23A82.8Confident82.4Confident0 Ų033.3 Ų33.30%019%0.186CC..Hα-helixtrans-59.7-38.1174.900000112.5A19 L20 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.37Å; A19-A23 PolarHBondContact O-N 3.32Å; L20-A23 PolarHBondContact O-N 2.98Å; A23-Y35 HydrophobicContact CB-CD2 4.09Å; A23-Y35 HydrophobicContact CB-CE2 4.29Å; A23-P125 HydrophobicContact CB-CB 4.1Å; A23-A129 HydrophobicContact CB-CB 4.27Å
24A84.2Confident82.9Confident1 Ų131.5 Ų31.51%0.00818%0.182CC..Hα-helixtrans-64.8-51.7176.600000112.6L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.21Å; L20-A24 PolarHBondContact O-N 3.32Å; L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 3.4Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 3.11Å; A24-I26 VanDerWaalsContact C-N 3.25Å; A24-I26 PolarHBondContact O-N 3.47Å; A24-R27 CarbonylContact O-C 3.55Å; A24-R27 VanDerWaalsContact O-C 3.27Å; A24-R27 PolarHBondContact O-N 3.33Å; A24-R27 VanDerWaalsContact O-N 3.11Å; A24-V36 HydrophobicContact CB-CG2 3.69Å; A24-Y253 HydrophobicContact CB-CE2 4.25Å; A24-Y253 WeakPolarHBondContact CB-OH 3.39Å; A24-Y253 PolarHBondContact O-OH 2.65Å
25I80Confident83.6Confident93 Ų9325.8 Ų25.848%0.47715%0.152SC..Hα-helixtrans-59.3-34.8-179.1-68.3163.6000112L21 A22 R27L21-I25 WeakPolarHBondContact O-CD1 3.34Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 2.69Å; A22-I25 PolarHBondContact O-N 3.47Å; I25-R27 VanDerWaalsContact C-N 3.35Å; I25-R27 PolarHBondContact O-N 2.93Å
26I78.1Confident83.7Confident31 Ų3122 Ų2216%0.15913%0.132CC..Hα-helixtrans-67.4-32.9179.3-65.7161.3000112.1A22 A24 R121 L124 P125 I128A22-I26 WeakPolarHBondContact O-CD1 3.33Å; A22-I26 VanDerWaalsContact O-CG1 3.25Å; A22-I26 WeakPolarHBondContact O-CG1 3.44Å; A22-I26 PolarHBondContact O-N 3.22Å; A24-I26 VanDerWaalsContact C-N 3.25Å; A24-I26 PolarHBondContact O-N 3.47Å; I26-R121 HydrophobicContact CG2-CG 4.36Å; I26-R121 WeakPolarHBondContact O-CG 3.41Å; I26-R121 PolarHBondContact O-NE 2.92Å; I26-L124 HydrophobicContact CD1-CD2 4.23Å; I26-P125 HydrophobicContact CB-CG 4.05Å; I26-P125 HydrophobicContact CG2-CG 3.69Å; I26-I128 HydrophobicContact CD1-CD1 3.67Å
27R78.7Confident83.8Confident8 Ų825.9 Ų25.93%0.0315%0.153CC..SBendtrans-139.176.7-177.6-163.9-176.876.1-147.9-5.4112.7A24 I25 S29 S32 G107 A122 P125 E126A24-R27 CarbonylContact O-C 3.55Å; A24-R27 VanDerWaalsContact O-C 3.27Å; A24-R27 PolarHBondContact O-N 3.33Å; A24-R27 VanDerWaalsContact O-N 3.11Å; I25-R27 VanDerWaalsContact C-N 3.35Å; I25-R27 PolarHBondContact O-N 2.93Å; R27-S29 PolarHBondContact O-N 3.16Å; R27-S29 PolarHBondContact O-OG 3.19Å; R27-S32 VanDerWaalsContact O-CB 3.28Å; R27-S32 WeakPolarHBondContact O-CB 3.36Å; R27-S32 PolarHBondContact O-OG 3.5Å; R27-G107 PolarHBondContact NE-O 3.28Å; R27-A122 PolarHBondContact NH1-O 3.29Å; R27-P125 HydrophobicContact CB-CG 3.88Å; R27-E126 IonicContact CZ-OE1 3.04Å; R27-E126 IonicContact NH1-OE1 3.17Å; R27-E126 PolarHBondContact NH1-OE1 3Å; R27-E126 IonicContact NH2-OE1 2.72Å; R27-E126 PolarHBondContact NH2-OE1 3.35Å
28P77.6Confident84Confident14 Ų1426.9 Ų26.99%0.09116%0.158CC..  trans-59.5109.817324.5-34000110.7
29S80.8Confident84.2Confident0 Ų024.1 Ų24.10%014%0.135CC..SBendtrans-159.7162.8-173.256.70000110.7R27 L31 S32 I33 S105 I106R27-S29 PolarHBondContact O-N 3.16Å; R27-S29 PolarHBondContact O-OG 3.19Å; S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.5Å; S29-S32 PolarHBondContact N-OG 3.42Å; S29-S32 WeakPolarHBondContact O-CB 3.49Å; S29-S32 PolarHBondContact O-N 2.93Å; S29-S32 PolarHBondContact O-OG 3.27Å; S29-S32 PolarHBondContact OG-N 3.18Å; S29-I33 PolarHBondContact O-N 3.38Å; S29-S105 CarbonylContact C-O 3.57Å; S29-S105 WeakPolarHBondContact CA-O 3.36Å; S29-S105 WeakPolarHBondContact CB-O 3.49Å; S29-I106 WeakPolarHBondContact CB-O 3.44Å
30F84.6Confident84.2Confident77 Ų7724.1 Ų24.134%0.33813%0.132SC..Hα-helixtrans-59.5-36179-69.6-70.3000113S32 I33 S105 I106 I257 I259 W264F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.36Å; F30-I33 HydrophobicContact CD1-CD1 3.87Å; F30-I33 WeakPolarHBondContact O-CB 3.41Å; F30-I33 PolarHBondContact O-N 3.1Å; F30-S105 VanDerWaalsContact CD2-O 3.26Å; F30-S105 WeakPolarHBondContact CD2-O 3.22Å; F30-S105 PolarHBondContact N-O 2.94Å; F30-I106 PolarHBondContact N-O 3.46Å; F30-I257 HydrophobicContact CD1-CD1 4.37Å; F30-I257 HydrophobicContact CE1-CD1 4.37Å; F30-I259 HydrophobicContact CE2-CG2 4.03Å; F30-I259 HydrophobicContact CZ-CG2 3.93Å; F30-W264 HydrophobicContact CZ-CH2 4.07Å
31L83.9Confident84.1Confident46 Ų4627.5 Ų27.524%0.24115%0.153CC..Hα-helixtrans-61-38.2172.8-73.5167.1000112.6S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.5Å; L31-I33 VanDerWaalsContact C-N 3.25Å; L31-I33 PolarHBondContact O-N 3.09Å; L31-G34 PolarHBondContact O-N 3.44Å; L31-G34 VanDerWaalsContact O-N 3.08Å; L31-V72 HydrophobicContact CD1-CG1 4.29Å; L31-V72 HydrophobicContact CD2-CG2 4.24Å; L31-I106 WeakPolarHBondContact CB-O 3.43Å; L31-I106 HydrophobicContact CD1-CG2 4.06Å; L31-I106 WeakPolarHBondContact CD1-O 3.46Å; L31-I106 HydrophobicContact CG-CG2 4.18Å; L31-I106 WeakPolarHBondContact CG-O 3.36Å; L31-I106 PolarHBondContact N-O 2.94Å
32S82.5Confident84.1Confident1 Ų126.6 Ų26.61%0.00715%0.148CC..Hα-helixtrans-68-20.9-179.5740000114.2R27 S29 F30 G34 Y35 V36 Y253R27-S32 VanDerWaalsContact O-CB 3.28Å; R27-S32 WeakPolarHBondContact O-CB 3.36Å; R27-S32 PolarHBondContact O-OG 3.5Å; S29-S32 PolarHBondContact N-OG 3.42Å; S29-S32 WeakPolarHBondContact O-CB 3.49Å; S29-S32 PolarHBondContact O-N 2.93Å; S29-S32 PolarHBondContact O-OG 3.27Å; S29-S32 PolarHBondContact OG-N 3.18Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.36Å; S32-G34 PolarHBondContact O-N 2.89Å; S32-Y35 WeakPolarHBondContact O-CB 3.22Å; S32-Y35 PolarHBondContact O-N 2.96Å; S32-V36 PolarHBondContact O-N 3.03Å; S32-V36 VanDerWaalsContact O-N 3.1Å; S32-Y253 VanDerWaalsContact CB-OH 3.29Å; S32-Y253 WeakPolarHBondContact CB-OH 3.47Å; S32-Y253 PolarHBondContact OG-OH 3.1Å
33I84.7Confident83.7Confident34 Ų3425.1 Ų25.117%0.17414%0.136CC..Hα-helixtrans-59.2-33.1171.7-58.3176.5000109.8S29 F30 L31 Y35 V36 L37 L250 Y253 I257S29-I33 PolarHBondContact O-N 3.38Å; F30-I33 HydrophobicContact CD1-CD1 3.87Å; F30-I33 WeakPolarHBondContact O-CB 3.41Å; F30-I33 PolarHBondContact O-N 3.1Å; L31-I33 VanDerWaalsContact C-N 3.25Å; L31-I33 PolarHBondContact O-N 3.09Å; I33-Y35 PolarHBondContact O-N 2.87Å; I33-V36 PolarHBondContact O-N 3.07Å; I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 VanDerWaalsContact O-CG 3.32Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.31Å; I33-L250 HydrophobicContact CG2-CD2 4.38Å; I33-Y253 HydrophobicContact CG1-CE1 4.31Å; I33-I257 HydrophobicContact CD1-CD1 3.94Å; I33-I257 HydrophobicContact CG1-CD1 4.36Å
34G86.5Confident83.6Confident16 Ų1629.2 Ų29.217%0.16516%0.161CC..Hα-helixtrans-59.9-41.9171.900000113.1L31 S32 L37 L38L31-G34 PolarHBondContact O-N 3.44Å; L31-G34 VanDerWaalsContact O-N 3.08Å; S32-G34 PolarHBondContact O-N 2.89Å; G34-L37 PolarHBondContact O-N 2.87Å; G34-L38 WeakPolarHBondContact O-CB 3.45Å; G34-L38 WeakPolarHBondContact O-CD1 3.24Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.45Å; G34-L38 PolarHBondContact O-N 2.99Å
35Y89.7Confident83.3Confident1 Ų129.5 Ų29.50%0.00416%0.162CC..Hα-helixtrans-65.7-42.4175.4-58.6-34.3000112.1L20 A23 S32 I33 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.85Å; L20-Y35 HydrophobicContact CD2-CG 4.34Å; A23-Y35 HydrophobicContact CB-CD2 4.09Å; A23-Y35 HydrophobicContact CB-CE2 4.29Å; S32-Y35 WeakPolarHBondContact O-CB 3.22Å; S32-Y35 PolarHBondContact O-N 2.96Å; I33-Y35 PolarHBondContact O-N 2.87Å; Y35-L38 PolarHBondContact O-N 2.99Å; Y35-A39 WeakPolarHBondContact O-CB 3.41Å; Y35-A39 PolarHBondContact O-N 3.49Å; Y35-F68 HydrophobicContact CD1-CD1 4.11Å; Y35-F68 AromaticContact CD1-CE1 3.78Å; Y35-F68 HydrophobicContact CD1-CE1 3.78Å; Y35-F68 AromaticContact CE1-CD1 3.85Å; Y35-F68 HydrophobicContact CE1-CD1 3.85Å; Y35-F68 AromaticContact CE1-CE1 3.63Å; Y35-F68 HydrophobicContact CE1-CE1 3.63Å; Y35-E126 PolarHBondContact OH-OE2 3.32Å; Y35-A129 HydrophobicContact CE1-CB 4.18Å
36V86.4Confident82.9Confident0 Ų027.6 Ų27.60%016%0.156CC..Hα-helixtrans-62.2-45.7175.8178.30000111A24 S32 I33 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.69Å; S32-V36 PolarHBondContact O-N 3.03Å; S32-V36 VanDerWaalsContact O-N 3.1Å; I33-V36 PolarHBondContact O-N 3.07Å; V36-A39 PolarHBondContact O-N 3.2Å; V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.4Å; V36-L40 WeakPolarHBondContact O-CG 3.23Å; V36-L40 PolarHBondContact O-N 3.14Å; V36-F249 HydrophobicContact CG1-CD1 4.27Å; V36-F249 HydrophobicContact CG1-CE1 3.96Å; V36-Y253 HydrophobicContact CG2-CD1 4.19Å; V36-Y253 HydrophobicContact CG2-CD2 4.22Å; V36-Y253 HydrophobicContact CG2-CE1 3.88Å; V36-Y253 HydrophobicContact CG2-CE2 3.91Å; V36-Y253 HydrophobicContact CG2-CG 4.35Å
37L87.4Confident82.4Confident84 Ų8429.2 Ų29.244%0.4417%0.169SC..Hα-helixtrans-60.8-45.8176.3-73.8170.1000111.8I33 G34 A39 L40 V41I33-L37 HydrophobicContact CG2-CD1 4.06Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 VanDerWaalsContact O-CG 3.32Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.31Å; G34-L37 PolarHBondContact O-N 2.87Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.83Å; L37-L40 PolarHBondContact O-N 3.26Å; L37-V41 WeakPolarHBondContact O-CB 3.27Å; L37-V41 VanDerWaalsContact O-CG2 3.24Å; L37-V41 WeakPolarHBondContact O-CG2 3.49Å; L37-V41 PolarHBondContact O-N 2.95Å
38L88.9Confident81.9Confident23 Ų2329.6 Ų29.612%0.1217%0.171CC..Hα-helixtrans-62.8-37.6176.7-71.5166.8000112.3L20 G34 Y35 V41 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.8Å; G34-L38 WeakPolarHBondContact O-CB 3.45Å; G34-L38 WeakPolarHBondContact O-CD1 3.24Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.45Å; G34-L38 PolarHBondContact O-N 2.99Å; Y35-L38 PolarHBondContact O-N 2.99Å; L38-V41 PolarHBondContact O-N 2.87Å; L38-S42 PolarHBondContact O-N 3.35Å; L38-F61 HydrophobicContact CD2-CE2 3.98Å; L38-T65 HydrophobicContact CD1-CG2 4.44Å; L38-F68 HydrophobicContact CD1-CB 4.36Å; L38-F68 HydrophobicContact CD1-CD1 3.75Å; L38-F68 HydrophobicContact CD1-CE1 4.38Å; L38-F68 HydrophobicContact CD1-CG 4.18Å
39A87.1Confident81.2Confident0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-68.1-42.5176.100000113P17 L20 L21 Y35 V36 L37 S42 Y321P17-A39 HydrophobicContact CB-CB 4.03Å; L20-A39 HydrophobicContact CB-CB 4.06Å; L21-A39 HydrophobicContact CD1-CB 4.31Å; L21-A39 HydrophobicContact CD2-CB 4.22Å; L21-A39 HydrophobicContact CG-CB 3.78Å; Y35-A39 WeakPolarHBondContact O-CB 3.41Å; Y35-A39 PolarHBondContact O-N 3.49Å; V36-A39 PolarHBondContact O-N 3.2Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.83Å; A39-S42 WeakPolarHBondContact O-CB 3.25Å; A39-S42 PolarHBondContact O-N 3.4Å; A39-Y321 PolarHBondContact O-OH 3.36Å
40L86.2Confident80Confident17 Ų1745 Ų459%0.08923%0.232CC..Hα-helixtrans-65.2-38.9174.6-68.2171.7000111.5V36 L37 A43 F320V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.4Å; V36-L40 WeakPolarHBondContact O-CG 3.23Å; V36-L40 PolarHBondContact O-N 3.14Å; L37-L40 PolarHBondContact O-N 3.26Å; L40-A43 WeakPolarHBondContact O-CB 3.44Å; L40-A43 PolarHBondContact O-N 2.75Å; L40-F320 HydrophobicContact CB-CZ 4.44Å; L40-F320 HydrophobicContact CD2-CD1 3.85Å; L40-F320 HydrophobicContact CD2-CE1 3.47Å; L40-F320 VanDerWaalsContact CD2-CE1 3.47Å; L40-F320 HydrophobicContact CD2-CE2 4.46Å; L40-F320 HydrophobicContact CD2-CG 4.49Å; L40-F320 HydrophobicContact CD2-CZ 3.81Å
41V86.5Confident78.8Confident72 Ų7246.2 Ų46.244%0.43625%0.25SS..Hα-helixtrans-65.6-38175.6168.20000111.9L37 L38 A43 V44 F61L37-V41 WeakPolarHBondContact O-CB 3.27Å; L37-V41 VanDerWaalsContact O-CG2 3.24Å; L37-V41 WeakPolarHBondContact O-CG2 3.49Å; L37-V41 PolarHBondContact O-N 2.95Å; L38-V41 PolarHBondContact O-N 2.87Å; V41-A43 PolarHBondContact O-N 2.66Å; V41-V44 WeakPolarHBondContact O-CB 3.2Å; V41-V44 PolarHBondContact O-N 2.9Å; V41-F61 HydrophobicContact CB-CE2 4.25Å; V41-F61 HydrophobicContact CG1-CD2 3.94Å; V41-F61 HydrophobicContact CG1-CE2 3.76Å
42S84.8Confident77.5Confident0 Ų049.6 Ų49.60%027%0.268CS..Hα-helixtrans-53.8-42175.4166.80000112.3V12 P17 L38 A39 V44 L45V12-S42 PolarHBondContact O-OG 2.71Å; P17-S42 WeakPolarHBondContact CG-OG 3.22Å; L38-S42 PolarHBondContact O-N 3.35Å; A39-S42 WeakPolarHBondContact O-CB 3.25Å; A39-S42 PolarHBondContact O-N 3.4Å; S42-V44 PolarHBondContact O-N 3.38Å; S42-L45 PolarHBondContact O-N 2.67Å; S42-L45 VanDerWaalsContact O-N 3.16Å
43A76.7Confident76.5Confident10 Ų1054 Ų548%0.08330%0.304CS..THydrogen-bonded Turntrans-58.9-22.6177.500000113.1L40 V41 F320 Y321 V324 K328L40-A43 WeakPolarHBondContact O-CB 3.44Å; L40-A43 PolarHBondContact O-N 2.75Å; V41-A43 PolarHBondContact O-N 2.66Å; A43-F320 HydrophobicContact CB-CE1 3.91Å; A43-Y321 HydrophobicContact CB-CD1 4.02Å; A43-Y321 HydrophobicContact CB-CE1 3.61Å; A43-V324 HydrophobicContact CB-CG1 4.3Å; A43-V324 VanDerWaalsContact O-CG1 3.28Å; A43-V324 WeakPolarHBondContact O-CG1 3.49Å; A43-K328 VanDerWaalsContact O-CE 3.27Å; A43-K328 WeakPolarHBondContact O-CE 3.35Å; A43-K328 PolarHBondContact O-NZ 3.13Å
44V80.6Confident75.6Confident86 Ų8655.2 Ų55.252%0.52131%0.311SS..THydrogen-bonded Turntrans-91.1-17.9-177.4-171.60000113.1V41 S42 K328V41-V44 WeakPolarHBondContact O-CB 3.2Å; V41-V44 PolarHBondContact O-N 2.9Å; S42-V44 PolarHBondContact O-N 3.38Å; V44-K328 WeakPolarHBondContact O-CE 3.46Å; V44-K328 PolarHBondContact O-NZ 3.01Å
45L78.1Confident74.8Confident7 Ų756.4 Ų56.44%0.03732%0.315CS..PPolyproline II helixtrans-63.1148.7-174.5-67.1170.4000116.4V12 K13 S42 L57 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.79Å; K13-L45 VanDerWaalsContact CE-O 3.28Å; K13-L45 WeakPolarHBondContact CE-O 3.28Å; K13-L45 PolarHBondContact NZ-O 3.43Å; S42-L45 PolarHBondContact O-N 2.67Å; S42-L45 VanDerWaalsContact O-N 3.16Å; L45-L57 HydrophobicContact CD2-CD2 4Å; L45-F61 HydrophobicContact CD1-CB 4.41Å; L45-F61 HydrophobicContact CD1-CD1 3.4Å; L45-F61 HydrophobicContact CD1-CD2 4.28Å; L45-F61 HydrophobicContact CD1-CE1 3.6Å; L45-F61 HydrophobicContact CD1-CE2 4.45Å; L45-F61 HydrophobicContact CD1-CG 3.76Å; L45-F61 HydrophobicContact CD1-CZ 4.14Å; L45-F61 HydrophobicContact CD2-CB 4.31Å; L45-F61 HydrophobicContact CD2-CG 4.32Å; L45-K328 PolarHBondContact O-NZ 2.98Å
46P70.4Confident74.1Confident53 Ų5365.5 Ų65.534%0.34436%0.355SS..PPolyproline II helixtrans-69.3152.5176.429.2-34.7000112.9V58P46-V58 HydrophobicContact CG-CG2 3.99Å
47P67.6Low73.7Confident65 Ų6570.9 Ų70.942%0.42238%0.383SS..PPolyproline II helixtrans-76.4146.5174.531.2-32.9000112.7
48I68Low73.3Confident16 Ų1667 Ų678%0.08236%0.363CS..PPolyproline II helixtrans-78.2127.2174.2-59.3168.6000108.7P5 K8 L54 V58P5-I48 HydrophobicContact CB-CG2 4.4Å; K8-I48 HydrophobicContact CB-CD1 3.65Å; I48-L54 HydrophobicContact CD1-CD1 4.07Å; I48-L54 HydrophobicContact CG1-CD1 4.35Å; I48-V58 HydrophobicContact CD1-CG1 4.5Å
49R62.9Low72.8Confident161 Ų16166.3 Ų66.361%0.60836%0.361SS*.  trans-111.1157.8-174-68.6-172.1177.1-163.9-0.5111.9S51R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.18Å
50K55.9Low72.6Confident177 Ų17769.8 Ų69.877%0.7738%0.383SS*.THydrogen-bonded Turntrans-62.1-22.7-179.7-80.1-171.5172.4-165.20115.5P5P5-K50 HydrophobicContact CG-CG 3.85Å
51S59.8Low72.6Confident102 Ų10269.7 Ų69.771%0.71338%0.382SS*.THydrogen-bonded Turntrans-119.86.7-164.160.20000115.4R49R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.18Å
52L57.7Low72.5Confident117 Ų11766.2 Ų66.261%0.61336%0.361SS*.SBendtrans-128.6142.9-178.5-94.382.2000110.8
53A59.9Low72.6Confident92 Ų9269.5 Ų69.576%0.7638%0.378SS*.PPolyproline II helixtrans-53150.9164.400000111.4
54L65.7Low73.1Confident60 Ų6073.4 Ų73.431%0.31440%0.396SS..PPolyproline II helixtrans-52.9124.7-175.1-169.279.7000110.6I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.07Å; I48-L54 HydrophobicContact CG1-CD1 4.35Å; L54-K56 PolarHBondContact O-N 3.38Å; L54-V140 HydrophobicContact CD1-CG1 3.66Å; L54-V140 HydrophobicContact CD2-CG1 3.67Å; L54-V140 HydrophobicContact CG-CG1 4.31Å
55P70.3Confident73.5Confident41 Ų4169.3 Ų69.327%0.26637%0.371SS..PPolyproline II helixtrans-61.7128.4-176.2-23.132.3000111L57 V58 G59P55-L57 PolarHBondContact O-N 3.07Å; P55-L57 VanDerWaalsContact O-N 3.11Å; P55-V58 HydrophobicContact CB-CB 4.5Å; P55-V58 HydrophobicContact CB-CG2 4.16Å; P55-V58 HydrophobicContact CG-CG2 4.37Å; P55-V58 PolarHBondContact O-N 3Å; P55-G59 PolarHBondContact O-N 3.43Å
56K75Confident74Confident192 Ų19271.7 Ų71.784%0.83538%0.382SS*.Hα-helixtrans-46.1-47.8-179.1-73-173.6176.7-177.70112L54 V58 G59 T60L54-K56 PolarHBondContact O-N 3.38Å; K56-V58 VanDerWaalsContact C-N 3.28Å; K56-V58 PolarHBondContact O-N 3.36Å; K56-G59 PolarHBondContact O-N 3.01Å; K56-G59 VanDerWaalsContact O-N 3.1Å; K56-T60 PolarHBondContact O-N 3.22Å; K56-T60 PolarHBondContact O-OG1 3.49Å
57L78.7Confident74.9Confident114 Ų11473.8 Ų73.860%0.59739%0.389SS*.Hα-helixtrans-53.9-38.2177.8-162.487.3000114L45 P55 F61L45-L57 HydrophobicContact CD2-CD2 4Å; P55-L57 PolarHBondContact O-N 3.07Å; P55-L57 VanDerWaalsContact O-N 3.11Å; L57-F61 VanDerWaalsContact O-CB 3.27Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 3.43Å
58V78Confident76Confident1 Ų173.9 Ų73.91%0.00638%0.383CS..Hα-helixtrans-75-40.9179.1177.30000110.5V12 P46 I48 P55 K56 F61 V62V12-V58 HydrophobicContact CG2-CG1 4.47Å; P46-V58 HydrophobicContact CG-CG2 3.99Å; I48-V58 HydrophobicContact CD1-CG1 4.5Å; P55-V58 HydrophobicContact CB-CB 4.5Å; P55-V58 HydrophobicContact CB-CG2 4.16Å; P55-V58 HydrophobicContact CG-CG2 4.37Å; P55-V58 PolarHBondContact O-N 3Å; K56-V58 VanDerWaalsContact C-N 3.28Å; K56-V58 PolarHBondContact O-N 3.36Å; V58-F61 PolarHBondContact O-N 3.48Å; V58-V62 WeakPolarHBondContact O-CG2 3.35Å; V58-V62 PolarHBondContact O-N 3.31Å; V58-V62 VanDerWaalsContact O-N 3.08Å
59G78.2Confident77Confident9 Ų973.1 Ų73.19%0.09338%0.379CS..Hα-helixtrans-60.2-50.117200000111.9P55 K56 F61 V62 I63P55-G59 PolarHBondContact O-N 3.43Å; K56-G59 PolarHBondContact O-N 3.01Å; K56-G59 VanDerWaalsContact O-N 3.1Å; G59-F61 PolarHBondContact O-N 2.66Å; G59-V62 PolarHBondContact O-N 3.25Å; G59-I63 WeakPolarHBondContact O-CD1 3.18Å; G59-I63 VanDerWaalsContact O-CG1 3.27Å; G59-I63 WeakPolarHBondContact O-CG1 3.36Å; G59-I63 PolarHBondContact O-N 2.98Å
60T83.2Confident78.2Confident73 Ų7368.9 Ų68.945%0.44837%0.368SS..Hα-helixtrans-61.1-42.3177.9-46.90000112K56 I63 I64K56-T60 PolarHBondContact O-N 3.22Å; K56-T60 PolarHBondContact O-OG1 3.49Å; T60-I63 PolarHBondContact O-N 3.41Å; T60-I64 HydrophobicContact CG2-CD1 3.79Å; T60-I64 HydrophobicContact CG2-CG1 4.32Å; T60-I64 WeakPolarHBondContact O-CB 3.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.21Å; T60-I64 PolarHBondContact O-N 2.92Å
61F85.9Confident79.7Confident15 Ų1563.3 Ų63.37%0.06636%0.355CS..Hα-helixtrans-61.5-45176.4172-97.5000112.5L16 L38 V41 L45 L57 V58 G59 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.74Å; L16-F61 HydrophobicContact CD2-CZ 4.41Å; L38-F61 HydrophobicContact CD2-CE2 3.98Å; V41-F61 HydrophobicContact CB-CE2 4.25Å; V41-F61 HydrophobicContact CG1-CD2 3.94Å; V41-F61 HydrophobicContact CG1-CE2 3.76Å; L45-F61 HydrophobicContact CD1-CB 4.41Å; L45-F61 HydrophobicContact CD1-CD1 3.4Å; L45-F61 HydrophobicContact CD1-CD2 4.28Å; L45-F61 HydrophobicContact CD1-CE1 3.6Å; L45-F61 HydrophobicContact CD1-CE2 4.45Å; L45-F61 HydrophobicContact CD1-CG 3.76Å; L45-F61 HydrophobicContact CD1-CZ 4.14Å; L45-F61 HydrophobicContact CD2-CB 4.31Å; L45-F61 HydrophobicContact CD2-CG 4.32Å; L57-F61 VanDerWaalsContact O-CB 3.27Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 3.43Å; V58-F61 PolarHBondContact O-N 3.48Å; G59-F61 PolarHBondContact O-N 2.66Å; F61-I64 PolarHBondContact O-N 3.34Å; F61-T65 WeakPolarHBondContact O-CB 3.44Å; F61-T65 PolarHBondContact O-N 2.79Å; F61-T65 PolarHBondContact O-OG1 3.42Å
62V85.6Confident81Confident0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-65-40.2178.6170.10000110.9V12 V58 G59 T65 F66 I137V12-V62 HydrophobicContact CG2-CG2 4.5Å; V58-V62 WeakPolarHBondContact O-CG2 3.35Å; V58-V62 PolarHBondContact O-N 3.31Å; V58-V62 VanDerWaalsContact O-N 3.08Å; G59-V62 PolarHBondContact O-N 3.25Å; V62-T65 PolarHBondContact O-N 2.8Å; V62-F66 PolarHBondContact O-N 2.97Å; V62-F66 VanDerWaalsContact O-N 3.09Å; V62-I137 HydrophobicContact CG1-CB 4.38Å; V62-I137 HydrophobicContact CG1-CG1 3.45Å; V62-I137 VanDerWaalsContact CG1-CG1 3.45Å
63I86.5Confident82.3Confident69 Ų6954.9 Ų54.935%0.35431%0.308SS..Hα-helixtrans-63.9-49.8174.4-67.1163.5000111.4G59 T60 T65 F66 L67 M141G59-I63 WeakPolarHBondContact O-CD1 3.18Å; G59-I63 VanDerWaalsContact O-CG1 3.27Å; G59-I63 WeakPolarHBondContact O-CG1 3.36Å; G59-I63 PolarHBondContact O-N 2.98Å; T60-I63 PolarHBondContact O-N 3.41Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 3.05Å; I63-F66 PolarHBondContact O-N 3.47Å; I63-L67 HydrophobicContact CG2-CD1 3.79Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 WeakPolarHBondContact O-CB 3.35Å; I63-L67 WeakPolarHBondContact O-CG 3.27Å; I63-L67 PolarHBondContact O-N 3.32Å; I63-M141 HydrophobicContact CD1-CE 3.97Å; I63-M141 HydrophobicContact CG1-CE 4.08Å
64I87.9Confident83.5Confident92 Ų9256 Ų5647%0.47230%0.3SS..Hα-helixtrans-59.9-41.8178.2-71.8170.7000110.9T60 F61 F66 L67 F68T60-I64 HydrophobicContact CG2-CD1 3.79Å; T60-I64 HydrophobicContact CG2-CG1 4.32Å; T60-I64 WeakPolarHBondContact O-CB 3.43Å; T60-I64 VanDerWaalsContact O-CG1 3.29Å; T60-I64 WeakPolarHBondContact O-CG1 3.21Å; T60-I64 PolarHBondContact O-N 2.92Å; F61-I64 PolarHBondContact O-N 3.34Å; I64-F66 PolarHBondContact O-N 3.4Å; I64-L67 PolarHBondContact O-N 2.83Å; I64-F68 WeakPolarHBondContact O-CB 3.42Å; I64-F68 PolarHBondContact O-N 2.87Å
65T87.5Confident84.4Confident0 Ų054.5 Ų54.50%030%0.299CS..Hα-helixtrans-61.9-45.3178.9-56.40000111L16 L20 L38 F61 V62 I63 F68 C69L16-T65 HydrophobicContact CD1-CG2 4.14Å; L16-T65 HydrophobicContact CD2-CG2 4.4Å; L20-T65 HydrophobicContact CD1-CG2 4.28Å; L20-T65 HydrophobicContact CD2-CG2 4.47Å; L38-T65 HydrophobicContact CD1-CG2 4.44Å; F61-T65 WeakPolarHBondContact O-CB 3.44Å; F61-T65 PolarHBondContact O-N 2.79Å; F61-T65 PolarHBondContact O-OG1 3.42Å; V62-T65 PolarHBondContact O-N 2.8Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 3.05Å; T65-F68 PolarHBondContact O-N 3.44Å; T65-C69 PolarHBondContact O-N 3.13Å; T65-C69 PolarHBondContact O-SG 2.84Å
66F88.7Confident84.9Confident57 Ų5753 Ų5325%0.2529%0.289CS..Hα-helixtrans-65.1-45.5175.6175.3-102.9000112.8V62 I63 I64 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 2.97Å; V62-F66 VanDerWaalsContact O-N 3.09Å; I63-F66 PolarHBondContact O-N 3.47Å; I64-F66 PolarHBondContact O-N 3.4Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3Å; F66-C69 PolarHBondContact O-N 2.87Å; F66-L70 HydrophobicContact CE1-CD2 4.27Å; F66-L70 VanDerWaalsContact O-CB 3.25Å; F66-L70 WeakPolarHBondContact O-CB 3.39Å; F66-L70 PolarHBondContact O-N 2.69Å; F66-A133 HydrophobicContact CB-CB 4.21Å; F66-A133 HydrophobicContact CD2-CB 4.19Å; F66-L134 HydrophobicContact CE2-CD1 4.34Å; F66-I137 HydrophobicContact CB-CD1 3.38Å; F66-I137 HydrophobicContact CB-CG1 4.39Å; F66-I137 HydrophobicContact CD1-CD1 3.72Å; F66-I137 HydrophobicContact CD2-CD1 3.85Å; F66-I137 HydrophobicContact CE1-CD1 4.45Å; F66-I137 HydrophobicContact CG-CD1 3.36Å
67L89.1Confident85.2Confident96 Ų9645.3 Ų45.350%0.50326%0.264SS..Hα-helixtrans-61.7-38.7177.2-71.2174.7000112.1I63 I64 A71I63-L67 HydrophobicContact CG2-CD1 3.79Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 WeakPolarHBondContact O-CB 3.35Å; I63-L67 WeakPolarHBondContact O-CG 3.27Å; I63-L67 PolarHBondContact O-N 3.32Å; I64-L67 PolarHBondContact O-N 2.83Å; L67-A71 VanDerWaalsContact O-CB 3.26Å; L67-A71 WeakPolarHBondContact O-CB 2.97Å; L67-A71 PolarHBondContact O-N 3.03Å
68F90.9Very high85.4Confident67 Ų6743.3 Ų43.329%0.29426%0.26SS..Hα-helixtrans-65.3-49.9174.6-174.1-98.7000111.3Y35 L38 I64 T65 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.11Å; Y35-F68 AromaticContact CD1-CE1 3.78Å; Y35-F68 HydrophobicContact CD1-CE1 3.78Å; Y35-F68 AromaticContact CE1-CD1 3.85Å; Y35-F68 HydrophobicContact CE1-CD1 3.85Å; Y35-F68 AromaticContact CE1-CE1 3.63Å; Y35-F68 HydrophobicContact CE1-CE1 3.63Å; L38-F68 HydrophobicContact CD1-CB 4.36Å; L38-F68 HydrophobicContact CD1-CD1 3.75Å; L38-F68 HydrophobicContact CD1-CE1 4.38Å; L38-F68 HydrophobicContact CD1-CG 4.18Å; I64-F68 WeakPolarHBondContact O-CB 3.42Å; I64-F68 PolarHBondContact O-N 2.87Å; T65-F68 PolarHBondContact O-N 3.44Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3Å; F68-L70 VanDerWaalsContact C-N 3.28Å; F68-L70 PolarHBondContact O-N 3.22Å; F68-A71 PolarHBondContact O-N 2.89Å; F68-V72 HydrophobicContact CD1-CG2 4.26Å; F68-V72 HydrophobicContact CE1-CG2 3.9Å; F68-V72 HydrophobicContact CE2-CG2 4.32Å; F68-V72 HydrophobicContact CZ-CG2 3.93Å; F68-V72 WeakPolarHBondContact O-CG2 3.46Å; F68-V72 PolarHBondContact O-N 3.35Å
69C89.3Confident85.6Confident0 Ų044.6 Ų44.60%027%0.265CS..Hα-helixtrans-61.1-37.8177.6-61.30000112.1T65 F66 A73 A129 T130 A133T65-C69 PolarHBondContact O-N 3.13Å; T65-C69 PolarHBondContact O-SG 2.84Å; F66-C69 PolarHBondContact O-N 2.87Å; C69-A73 VanDerWaalsContact O-CB 3.27Å; C69-A73 WeakPolarHBondContact O-CB 3.26Å; C69-A73 PolarHBondContact O-N 3.16Å; C69-A129 HydrophobicContact CB-CB 4.42Å; C69-T130 HydrophobicContact CB-CG2 3.88Å; C69-A133 HydrophobicContact CB-CB 4.49Å
70L88.3Confident85.5Confident72 Ų7246.3 Ų46.338%0.37727%0.27SS..Hα-helixtrans-66.5-44.6175.5-173.770.2000111.7F66 F68 A73 L74F66-L70 HydrophobicContact CE1-CD2 4.27Å; F66-L70 VanDerWaalsContact O-CB 3.25Å; F66-L70 WeakPolarHBondContact O-CB 3.39Å; F66-L70 PolarHBondContact O-N 2.69Å; F68-L70 VanDerWaalsContact C-N 3.28Å; F68-L70 PolarHBondContact O-N 3.22Å; L70-A73 PolarHBondContact O-N 3.02Å; L70-L74 HydrophobicContact CG-CD1 4.15Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.26Å; L70-L74 PolarHBondContact O-N 2.84Å
71A87.9Confident85.3Confident61 Ų6148.4 Ų48.450%0.50428%0.277SS..Hα-helixtrans-64.8-40.5178.500000112.4L67 F68 L74 G75L67-A71 VanDerWaalsContact O-CB 3.26Å; L67-A71 WeakPolarHBondContact O-CB 2.97Å; L67-A71 PolarHBondContact O-N 3.03Å; F68-A71 PolarHBondContact O-N 2.89Å; A71-L74 PolarHBondContact O-N 2.99Å; A71-G75 PolarHBondContact O-N 3.46Å
72V85.7Confident84.7Confident10 Ų1050.3 Ų50.36%0.06129%0.293CS..Hα-helixtrans-68-43.6175.3-176.90000110.8L31 F68 L74 G75 V76 E126L31-V72 HydrophobicContact CD1-CG1 4.29Å; L31-V72 HydrophobicContact CD2-CG2 4.24Å; F68-V72 HydrophobicContact CD1-CG2 4.26Å; F68-V72 HydrophobicContact CE1-CG2 3.9Å; F68-V72 HydrophobicContact CE2-CG2 4.32Å; F68-V72 HydrophobicContact CZ-CG2 3.93Å; F68-V72 WeakPolarHBondContact O-CG2 3.46Å; F68-V72 PolarHBondContact O-N 3.35Å; V72-L74 VanDerWaalsContact C-N 3.33Å; V72-L74 PolarHBondContact O-N 3.43Å; V72-G75 PolarHBondContact O-N 2.86Å; V72-V76 HydrophobicContact CG1-CG2 4.39Å; V72-V76 WeakPolarHBondContact O-CG2 3.31Å; V72-V76 PolarHBondContact O-N 2.97Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.46Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.35Å
73A85.8Confident84Confident32 Ų3251.8 Ų51.826%0.26430%0.3SS..Hα-helixtrans-59.9-40.5175.100000112.7C69 L70 G77 E126 T130C69-A73 VanDerWaalsContact O-CB 3.27Å; C69-A73 WeakPolarHBondContact O-CB 3.26Å; C69-A73 PolarHBondContact O-N 3.16Å; L70-A73 PolarHBondContact O-N 3.02Å; A73-G77 PolarHBondContact O-N 3.04Å; A73-E126 HydrophobicContact CB-CB 4.46Å; A73-T130 HydrophobicContact CB-CG2 4.07Å
74L86.3Confident83.1Confident116 Ų11655.6 Ų55.661%0.60732%0.316SS*.Hα-helixtrans-66.9-39.8174.2-72.7170000112.4L70 A71 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.15Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.26Å; L70-L74 PolarHBondContact O-N 2.84Å; A71-L74 PolarHBondContact O-N 2.99Å; V72-L74 VanDerWaalsContact C-N 3.33Å; V72-L74 PolarHBondContact O-N 3.43Å; L74-G77 PolarHBondContact O-N 3Å; L74-S78 PolarHBondContact O-N 3.31Å; L74-S78 PolarHBondContact O-OG 3.48Å
75G83.2Confident82.2Confident27 Ų2756.6 Ų56.628%0.27833%0.326SS..Hα-helixtrans-68.6-36.4176.900000113.8A71 V72 S78 Y79A71-G75 PolarHBondContact O-N 3.46Å; V72-G75 PolarHBondContact O-N 2.86Å; G75-S78 PolarHBondContact O-OG 2.75Å; G75-S78 VanDerWaalsContact O-OG 3.09Å; G75-Y79 WeakPolarHBondContact O-CB 3.47Å; G75-Y79 PolarHBondContact O-N 3.16Å; G75-Y79 VanDerWaalsContact O-N 3.14Å
76V81.8Confident81.2Confident10 Ų1061.2 Ų61.26%0.06135%0.354CS..Hα-helixtrans-68.1-43170.2174.40000109.9V72 S78 Y79 Q80 L108 E126V72-V76 HydrophobicContact CG1-CG2 4.39Å; V72-V76 WeakPolarHBondContact O-CG2 3.31Å; V72-V76 PolarHBondContact O-N 2.97Å; V76-S78 PolarHBondContact O-N 3.12Å; V76-Y79 PolarHBondContact O-N 3.37Å; V76-Q80 HydrophobicContact CG1-CG 4.45Å; V76-Q80 WeakPolarHBondContact O-CG 3.44Å; V76-Q80 PolarHBondContact O-N 3.5Å; V76-L108 HydrophobicContact CG2-CD2 4.36Å; V76-E126 HydrophobicContact CG2-CG 4.34Å
77G80.2Confident79.8Confident31 Ų3163 Ų6332%0.3236%0.363SS..Hα-helixtrans-58.2-47.5176.500000113.2A73 L74 Q80 I81A73-G77 PolarHBondContact O-N 3.04Å; L74-G77 PolarHBondContact O-N 3Å; G77-Q80 PolarHBondContact O-N 3.11Å; G77-I81 WeakPolarHBondContact O-CD1 3.42Å; G77-I81 VanDerWaalsContact O-CG1 3.28Å; G77-I81 WeakPolarHBondContact O-CG1 3.5Å; G77-I81 PolarHBondContact O-N 3.17Å; G77-I81 VanDerWaalsContact O-N 3.08Å
78S83.1Confident78.2Confident71 Ų7167 Ų6750%0.49738%0.376SS..Hα-helixtrans-65.8-37.5177.462.80000112.5L74 G75 V76 I81 S82L74-S78 PolarHBondContact O-N 3.31Å; L74-S78 PolarHBondContact O-OG 3.48Å; G75-S78 PolarHBondContact O-OG 2.75Å; G75-S78 VanDerWaalsContact O-OG 3.09Å; V76-S78 PolarHBondContact O-N 3.12Å; S78-I81 PolarHBondContact O-N 3.15Å; S78-S82 PolarHBondContact O-N 3.15Å; S78-S82 PolarHBondContact O-OG 3.14Å
79Y81.7Confident76.2Confident29 Ų2970.8 Ų70.811%0.11440%0.399CS..Hα-helixtrans-64.7-44175.4178.2-109.1000112.9G75 V76 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 3.47Å; G75-Y79 PolarHBondContact O-N 3.16Å; G75-Y79 VanDerWaalsContact O-N 3.14Å; V76-Y79 PolarHBondContact O-N 3.37Å; Y79-I81 VanDerWaalsContact C-N 3.29Å; Y79-I81 PolarHBondContact O-N 2.76Å; Y79-S82 WeakPolarHBondContact CA-OG 3.5Å; Y79-S82 PolarHBondContact O-N 2.94Å; Y79-S82 PolarHBondContact O-OG 3.12Å; Y79-E83 HydrophobicContact CD2-CG 4.3Å; Y79-E83 HydrophobicContact CE1-CG 3.97Å; Y79-E83 HydrophobicContact CE2-CG 3.66Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.38Å; Y79-E83 VanDerWaalsContact CZ-CG 3.46Å; Y79-E83 PolarHBondContact O-N 3Å; Y79-E83 VanDerWaalsContact OH-CD 3.29Å; Y79-E83 WeakPolarHBondContact OH-CG 3.47Å; Y79-E83 PolarHBondContact OH-OE1 3.47Å; Y79-L108 HydrophobicContact CD1-CB 3.71Å; Y79-L108 HydrophobicContact CD1-CD2 4.48Å; Y79-L108 HydrophobicContact CD2-CB 4.19Å; Y79-L108 HydrophobicContact CD2-CD1 4.27Å; Y79-L108 HydrophobicContact CE1-CB 3.94Å; Y79-L108 WeakPolarHBondContact CE1-O 3.39Å; Y79-L108 HydrophobicContact CE2-CB 4.43Å; Y79-L108 HydrophobicContact CG-CB 3.84Å; Y79-L108 HydrophobicContact CG-CD1 4.29Å; Y79-L108 HydrophobicContact CG-CD2 4.22Å; Y79-L108 HydrophobicContact CG-CG 4.33Å
80Q77.1Confident74.4Confident44 Ų4476.5 Ų76.521%0.20643%0.43CS..Hα-helixtrans-61.8-39.1174.1-60.4-58.6-21.500111V76 G77 Q84 V109V76-Q80 HydrophobicContact CG1-CG 4.45Å; V76-Q80 WeakPolarHBondContact O-CG 3.44Å; V76-Q80 PolarHBondContact O-N 3.5Å; G77-Q80 PolarHBondContact O-N 3.11Å; Q80-Q84 VanDerWaalsContact O-CB 3.24Å; Q80-Q84 WeakPolarHBondContact O-CB 3.37Å; Q80-Q84 PolarHBondContact O-N 3.3Å; Q80-V109 PolarHBondContact NE2-O 3.03Å
81I78.2Confident72.5Confident117 Ų11784.1 Ų84.160%0.645%0.454SS*.Hα-helixtrans-62.9-45175.4-68.2164.1000110.9G77 S78 Y79 Q84 V85G77-I81 WeakPolarHBondContact O-CD1 3.42Å; G77-I81 VanDerWaalsContact O-CG1 3.28Å; G77-I81 WeakPolarHBondContact O-CG1 3.5Å; G77-I81 PolarHBondContact O-N 3.17Å; G77-I81 VanDerWaalsContact O-N 3.08Å; S78-I81 PolarHBondContact O-N 3.15Å; Y79-I81 VanDerWaalsContact C-N 3.29Å; Y79-I81 PolarHBondContact O-N 2.76Å; I81-Q84 PolarHBondContact O-N 3.49Å; I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 3.45Å; I81-V85 VanDerWaalsContact O-N 3.09Å
82S74.6Confident70.6Confident55 Ų5587.8 Ų87.839%0.38547%0.47SS..Hα-helixtrans-65.3-42.3179.354.30000113.1S78 Y79 Q84 V85 V86S78-S82 PolarHBondContact O-N 3.15Å; S78-S82 PolarHBondContact O-OG 3.14Å; Y79-S82 WeakPolarHBondContact CA-OG 3.5Å; Y79-S82 PolarHBondContact O-N 2.94Å; Y79-S82 PolarHBondContact O-OG 3.12Å; S82-Q84 PolarHBondContact O-N 2.89Å; S82-V85 PolarHBondContact O-N 3.29Å; S82-V86 WeakPolarHBondContact O-CB 3.37Å; S82-V86 VanDerWaalsContact O-CG2 3.29Å; S82-V86 WeakPolarHBondContact O-CG2 3.43Å; S82-V86 PolarHBondContact O-N 2.8Å
83E69.4Low69Low32 Ų3295 Ų9515%0.1550%0.497CS..Hα-helixtrans-64.3-40.4176.6-75-74.8162.200111.7Y79 V85 H87 R110Y79-E83 HydrophobicContact CD2-CG 4.3Å; Y79-E83 HydrophobicContact CE1-CG 3.97Å; Y79-E83 HydrophobicContact CE2-CG 3.66Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.38Å; Y79-E83 VanDerWaalsContact CZ-CG 3.46Å; Y79-E83 PolarHBondContact O-N 3Å; Y79-E83 VanDerWaalsContact OH-CD 3.29Å; Y79-E83 WeakPolarHBondContact OH-CG 3.47Å; Y79-E83 PolarHBondContact OH-OE1 3.47Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 2.92Å; E83-H87 PolarHBondContact O-N 3.38Å; E83-H87 VanDerWaalsContact O-N 3.09Å; E83-H87 IonicContact OE2-CD2 3.96Å; E83-R110 IonicContact OE2-NH1 3.1Å
84Q68.4Low67.6Low149 Ų14995.8 Ų95.870%0.69650%0.497SS*.Hα-helixtrans-65.3-29.2177.7-16281.4-6.900112.7Q80 I81 S82Q80-Q84 VanDerWaalsContact O-CB 3.24Å; Q80-Q84 WeakPolarHBondContact O-CB 3.37Å; Q80-Q84 PolarHBondContact O-N 3.3Å; I81-Q84 PolarHBondContact O-N 3.49Å; S82-Q84 PolarHBondContact O-N 2.89Å
85V69.3Low66.4Low113 Ų11393.2 Ų93.269%0.68549%0.488SS*.Hα-helixtrans-85.6-40.5178.7169.90000112.2I81 S82 E83I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 3.45Å; I81-V85 VanDerWaalsContact O-N 3.09Å; S82-V85 PolarHBondContact O-N 3.29Å; E83-V85 VanDerWaalsContact C-N 3.27Å; E83-V85 PolarHBondContact O-N 2.92Å
86V67.3Low65.3Low96 Ų9699.7 Ų99.758%0.58252%0.516SS*.Hα-helixtrans-94.9-31.8-167.6-177.50000113.7S82S82-V86 WeakPolarHBondContact O-CB 3.37Å; S82-V86 VanDerWaalsContact O-CG2 3.29Å; S82-V86 WeakPolarHBondContact O-CG2 3.43Å; S82-V86 PolarHBondContact O-N 2.8Å
87H58.6Low64.5Low96 Ų96104.4 Ų104.444%0.44453%0.533SS..  trans-129.175.5-167.8-69.7-39.5000114.5E83 R110E83-H87 PolarHBondContact O-N 3.38Å; E83-H87 VanDerWaalsContact O-N 3.09Å; E83-H87 IonicContact OE2-CD2 3.96Å; H87-R110 PolarHBondContact O-NH2 2.92Å
88K55Low63.8Low178 Ų178106.9 Ų106.977%0.77455%0.545SS*.  trans-73.7-32.5-173.1-107.3177.5178.9174.90117.3
89N49.8Very low63.1Low147 Ų147106.5 Ų106.579%0.78654%0.537SS*.SBendtrans-129.6-19.7-159.3-92.31.9000120.7
90D50.9Low62.3Low120 Ų120107 Ų10764%0.64254%0.543SS*.  trans-95.6117.7-171.5-71-48.4000115.1
91R48.2Very low61.8Low233 Ų233107.8 Ų107.888%0.87955%0.551SS**SBendtrans-85.5-21-175.9-71.9-178.4176168.5-0.8115.2
92T47.5Very low61.4Low138 Ų138106.7 Ų106.785%0.84755%0.546SS*.SBendtrans-105.4-9.3-170.444.10000114.3I94T92-I94 PolarHBondContact O-N 2.9Å
93Y52.5Low61.5Low160 Ų160108.1 Ų108.163%0.62755%0.546SS*.SBendtrans-81.8-8.6-170.9-161.8-104.8000114.7
94I57.5Low61.6Low50 Ų50109.5 Ų109.526%0.25655%0.55SS..SBendtrans-83.1-35.5-161.2-56.4174000113.4T92 N96 T100T92-I94 PolarHBondContact O-N 2.9Å; I94-N96 PolarHBondContact O-N 2.97Å; I94-T100 PolarHBondContact O-OG1 3.23Å
95C61.3Low61.9Low62 Ų62102.7 Ų102.742%0.41952%0.518SS..THydrogen-bonded Turntrans-81.8-10-171.7-690000115.3C285C95-C285 HydrophobicContact CB-CB 3.78Å; C95-C285 WeakPolarHBondContact CB-SG 3.39Å; C95-C285 WeakPolarHBondContact SG-CB 3.21Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.03Å
96N59.4Low62.4Low162 Ų16299.9 Ų99.987%0.86650%0.499SS*.THydrogen-bonded Turntrans-106.11.2-170-151.119000114.5I94I94-N96 PolarHBondContact O-N 2.97Å
97R65.6Low62.6Low110 Ų11095.3 Ų95.342%0.41547%0.471SS..  trans-107.6119-175.2-175.5173.6177.31641.9111.1D99 T100 T101R97-D99 HydrophobicContact CG-CB 4.21Å; R97-D99 IonicContact CZ-OD2 3.28Å; R97-D99 IonicContact NE-OD2 3.42Å; R97-D99 PolarHBondContact NE-OD2 3.36Å; R97-D99 IonicContact NH2-OD2 2.81Å; R97-D99 PolarHBondContact NH2-OD2 3.08Å; R97-D99 PolarHBondContact O-N 3.37Å; R97-D99 VanDerWaalsContact O-N 3.09Å; R97-T100 HydrophobicContact CB-CG2 4.11Å; R97-T100 HydrophobicContact CG-CG2 4.45Å; R97-T100 PolarHBondContact O-N 2.91Å; R97-T100 PolarHBondContact O-OG1 3.1Å; R97-T101 PolarHBondContact O-N 3.17Å
98S65.4Low63.5Low82 Ų8292.3 Ų92.357%0.57346%0.458SS*.Hα-helixtrans-41.8-47.3177.445.10000113.3T100 T101 L102S98-T100 VanDerWaalsContact C-N 3.28Å; S98-T100 PolarHBondContact O-N 3.33Å; S98-T101 PolarHBondContact O-N 3.35Å; S98-T101 VanDerWaalsContact O-N 3.07Å; S98-T101 PolarHBondContact O-OG1 3.3Å; S98-L102 PolarHBondContact O-N 2.69Å
99D67.7Low64.3Low63 Ų6385.1 Ų85.134%0.33743%0.429SS..Hα-helixtrans-58.4-40.7-175.5-45.3-11.2000111.4R97 L102 F103R97-D99 HydrophobicContact CG-CB 4.21Å; R97-D99 IonicContact CZ-OD2 3.28Å; R97-D99 IonicContact NE-OD2 3.42Å; R97-D99 PolarHBondContact NE-OD2 3.36Å; R97-D99 IonicContact NH2-OD2 2.81Å; R97-D99 PolarHBondContact NH2-OD2 3.08Å; R97-D99 PolarHBondContact O-N 3.37Å; R97-D99 VanDerWaalsContact O-N 3.09Å; D99-L102 WeakPolarHBondContact O-CB 3.32Å; D99-L102 PolarHBondContact O-N 3.08Å; D99-F103 HydrophobicContact CB-CD2 4.5Å; D99-F103 HydrophobicContact CB-CE2 4.22Å; D99-F103 WeakPolarHBondContact O-CD2 3.31Å; D99-F103 WeakPolarHBondContact O-CG 3.26Å; D99-F103 PolarHBondContact O-N 3.41Å
100T65.2Low65.3Low39 Ų3981.4 Ų81.424%0.23940%0.404CS..Hα-helixtrans-70-35.4179.468.40000112.1I94 R97 S98 L102 R104I94-T100 PolarHBondContact O-OG1 3.23Å; R97-T100 HydrophobicContact CB-CG2 4.11Å; R97-T100 HydrophobicContact CG-CG2 4.45Å; R97-T100 PolarHBondContact O-N 2.91Å; R97-T100 PolarHBondContact O-OG1 3.1Å; S98-T100 VanDerWaalsContact C-N 3.28Å; S98-T100 PolarHBondContact O-N 3.33Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.01Å; T100-R104 WeakPolarHBondContact O-CB 3.45Å; T100-R104 PolarHBondContact O-N 3.49Å
101T65.1Low66.3Low61 Ų6180.1 Ų80.137%0.37439%0.393SS..Hα-helixtrans-67.8-34.4174.872.60000111R97 S98 S105R97-T101 PolarHBondContact O-N 3.17Å; S98-T101 PolarHBondContact O-N 3.35Å; S98-T101 VanDerWaalsContact O-N 3.07Å; S98-T101 PolarHBondContact O-OG1 3.3Å; T101-S105 WeakPolarHBondContact O-CB 3.49Å; T101-S105 PolarHBondContact O-N 3.28Å; T101-S105 PolarHBondContact O-OG 3Å
102L71.1Confident67.3Low95 Ų9570.9 Ų70.950%0.49736%0.36SS..Hα-helixtrans-70.4-49.2176.2-168.2135.3000110.9S98 D99 T100 R104 S105 I106S98-L102 PolarHBondContact O-N 2.69Å; D99-L102 WeakPolarHBondContact O-CB 3.32Å; D99-L102 PolarHBondContact O-N 3.08Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.01Å; L102-R104 PolarHBondContact O-N 3.36Å; L102-S105 PolarHBondContact O-N 3.43Å; L102-S105 PolarHBondContact O-OG 3.42Å; L102-I106 HydrophobicContact CD2-CD1 3.63Å; L102-I106 HydrophobicContact CG-CD1 4.44Å; L102-I106 WeakPolarHBondContact O-CG1 3.21Å; L102-I106 PolarHBondContact O-N 3.49Å
103F75.5Confident67.8Low84 Ų8469 Ų6937%0.36835%0.35SS..Hα-helixtrans-60.8-41174-68.5-53.9000113D99 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CD2 4.5Å; D99-F103 HydrophobicContact CB-CE2 4.22Å; D99-F103 WeakPolarHBondContact O-CD2 3.31Å; D99-F103 WeakPolarHBondContact O-CG 3.26Å; D99-F103 PolarHBondContact O-N 3.41Å; F103-S105 PolarHBondContact O-N 3.48Å; F103-I106 HydrophobicContact CD1-CD1 4.43Å; F103-I106 WeakPolarHBondContact O-CB 3.48Å; F103-I106 PolarHBondContact O-N 3.22Å; F103-G107 PolarHBondContact O-N 3.49Å; F103-L108 CarbonylContact C-O 3.58Å; F103-L108 HydrophobicContact CB-CB 4.33Å; F103-L108 HydrophobicContact CD1-CD1 4.13Å; F103-L108 PolarHBondContact O-N 3.17Å
104R71.8Confident68.1Low62 Ų6266.1 Ų66.123%0.23435%0.349CS..Hα-helixtrans-61.6-41.6174.8-172.5174.374.2147.19112.1T100 L102 G107 S283T100-R104 WeakPolarHBondContact O-CB 3.45Å; T100-R104 PolarHBondContact O-N 3.49Å; L102-R104 PolarHBondContact O-N 3.36Å; R104-G107 PolarHBondContact O-N 2.91Å; R104-S283 PolarHBondContact NH1-O 3.48Å; R104-S283 PolarHBondContact NH2-O 2.91Å
105S74.2Confident67.6Low6 Ų665.1 Ų65.14%0.04235%0.351CS..Hα-helixtrans-73.1-31177.270.50000113.1S29 F30 T101 L102 F103 G107S29-S105 CarbonylContact C-O 3.57Å; S29-S105 WeakPolarHBondContact CA-O 3.36Å; S29-S105 WeakPolarHBondContact CB-O 3.49Å; F30-S105 VanDerWaalsContact CD2-O 3.26Å; F30-S105 WeakPolarHBondContact CD2-O 3.22Å; F30-S105 PolarHBondContact N-O 2.94Å; T101-S105 WeakPolarHBondContact O-CB 3.49Å; T101-S105 PolarHBondContact O-N 3.28Å; T101-S105 PolarHBondContact O-OG 3Å; L102-S105 PolarHBondContact O-N 3.43Å; L102-S105 PolarHBondContact O-OG 3.42Å; F103-S105 PolarHBondContact O-N 3.48Å; S105-G107 VanDerWaalsContact C-N 3.32Å
106I80.2Confident67.4Low53 Ų5365.7 Ų65.727%0.27235%0.353SS..Hα-helixtrans-61.5-42.2169-71.8167.3000110.7S29 F30 L31 L102 F103 L108S29-I106 WeakPolarHBondContact CB-O 3.44Å; F30-I106 PolarHBondContact N-O 3.46Å; L31-I106 WeakPolarHBondContact CB-O 3.43Å; L31-I106 HydrophobicContact CD1-CG2 4.06Å; L31-I106 WeakPolarHBondContact CD1-O 3.46Å; L31-I106 HydrophobicContact CG-CG2 4.18Å; L31-I106 WeakPolarHBondContact CG-O 3.36Å; L31-I106 PolarHBondContact N-O 2.94Å; L102-I106 HydrophobicContact CD2-CD1 3.63Å; L102-I106 HydrophobicContact CG-CD1 4.44Å; L102-I106 WeakPolarHBondContact O-CG1 3.21Å; L102-I106 PolarHBondContact O-N 3.49Å; F103-I106 HydrophobicContact CD1-CD1 4.43Å; F103-I106 WeakPolarHBondContact O-CB 3.48Å; F103-I106 PolarHBondContact O-N 3.22Å; I106-L108 HydrophobicContact CG2-CG 4.29Å
107G71.9Confident67.4Low0 Ų065 Ų650%034%0.343CS..THydrogen-bonded Turntrans121.47.3-179.100000114.2R27 F103 R104 S105 V109R27-G107 PolarHBondContact NE-O 3.28Å; F103-G107 PolarHBondContact O-N 3.49Å; R104-G107 PolarHBondContact O-N 2.91Å; S105-G107 VanDerWaalsContact C-N 3.32Å; G107-V109 PolarHBondContact O-N 3.16Å
108L76.9Confident67.2Low33 Ų3363.3 Ų63.317%0.17334%0.339CS..  trans-85.192.6172-63.3-179.6000108.2V76 Y79 F103 I106V76-L108 HydrophobicContact CG2-CD2 4.36Å; Y79-L108 HydrophobicContact CD1-CB 3.71Å; Y79-L108 HydrophobicContact CD1-CD2 4.48Å; Y79-L108 HydrophobicContact CD2-CB 4.19Å; Y79-L108 HydrophobicContact CD2-CD1 4.27Å; Y79-L108 HydrophobicContact CE1-CB 3.94Å; Y79-L108 WeakPolarHBondContact CE1-O 3.39Å; Y79-L108 HydrophobicContact CE2-CB 4.43Å; Y79-L108 HydrophobicContact CG-CB 3.84Å; Y79-L108 HydrophobicContact CG-CD1 4.29Å; Y79-L108 HydrophobicContact CG-CD2 4.22Å; Y79-L108 HydrophobicContact CG-CG 4.33Å; F103-L108 CarbonylContact C-O 3.58Å; F103-L108 HydrophobicContact CB-CB 4.33Å; F103-L108 HydrophobicContact CD1-CD1 4.13Å; F103-L108 PolarHBondContact O-N 3.17Å; I106-L108 HydrophobicContact CG2-CG 4.29Å
109V73.2Confident66.9Low28 Ų2859.9 Ų59.917%0.1732%0.315CS..  trans-111.3122-172.9-1780000110.1Q80 G107 W288Q80-V109 PolarHBondContact NE2-O 3.03Å; G107-V109 PolarHBondContact O-N 3.16Å; V109-W288 HydrophobicContact CG1-CE3 4.18Å; V109-W288 HydrophobicContact CG1-CZ3 3.83Å
110R70Confident66.9Low69 Ų6958.2 Ų58.226%0.2631%0.307SS..PPolyproline II helixtrans-60.7137.4179.4-176.4176.6179.2168.87.8111.6E83 H87 W288E83-R110 IonicContact OE2-NH1 3.1Å; H87-R110 PolarHBondContact O-NH2 2.92Å; R110-W288 HydrophobicContact CB-CH2 4.43Å; R110-W288 WeakPolarHBondContact O-CH2 3.23Å; R110-W288 WeakPolarHBondContact O-CZ3 3.1Å
111F72.8Confident67.2Low92 Ų9257.9 Ų57.940%0.40430%0.302SS..PPolyproline II helixtrans-68.8133.3173.3176.3-102.3000112F123F111-F123 HydrophobicContact CD2-CD1 4.38Å; F111-F123 HydrophobicContact CD2-CE1 4.28Å; F111-F123 HydrophobicContact CE2-CE1 4.04Å
112H67.5Low67.4Low40 Ų4055.3 Ų55.319%0.18529%0.287CS..PPolyproline II helixtrans-94.4122.4-178.9-159.9-93.9000111.5T114 S119 W288H112-T114 VanDerWaalsContact C-N 3.25Å; H112-T114 PolarHBondContact CE1-OG1 2.72Å; H112-T114 PolarHBondContact ND1-OG1 3.49Å; H112-T114 PolarHBondContact O-N 3.03Å; H112-T114 VanDerWaalsContact O-N 3.1Å; H112-S119 PolarHBondContact N-OG 2.67Å; H112-S119 PolarHBondContact O-OG 3.11Å; H112-W288 HydrophobicContact CB-CH2 4.31Å; H112-W288 AromaticContact CD2-CZ2 3.76Å
113P59.1Low67.7Low98 Ų9854.5 Ų54.564%0.63628%0.279SS*.THydrogen-bonded Turntrans-75.20-167.928.4-35.2000116.1
114T58.4Low67.9Low100 Ų10052.7 Ų52.761%0.61327%0.273SS*.THydrogen-bonded Turntrans-10215.8-171.368.60000115.9H112H112-T114 VanDerWaalsContact C-N 3.25Å; H112-T114 PolarHBondContact CE1-OG1 2.72Å; H112-T114 PolarHBondContact ND1-OG1 3.49Å; H112-T114 PolarHBondContact O-N 3.03Å; H112-T114 VanDerWaalsContact O-N 3.1Å
115G48Very low68.3Low29 Ų2949.7 Ų49.730%0.29926%0.262SS..  trans68.461.8147.200000120T2125G115-T2125 WeakPolarHBondContact O-CG2 3.49Å
116T55.5Low68.8Low73 Ų7349.9 Ų49.945%0.44826%0.262SS..  trans-126.4165.9160.759.50000111.5E118 S119T116-E118 PolarHBondContact O-N 2.96Å; T116-E118 VanDerWaalsContact O-N 3.15Å; T116-S119 PolarHBondContact O-N 3.06Å; T116-S119 VanDerWaalsContact O-N 3.08Å
117F60.4Low69.1Low149 Ų14951.7 Ų51.765%0.65427%0.271SS*.G310 helixtrans-57.4-27177.4-171.4-97.7000112.6S119 T120 L124F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 2.83Å; F117-T120 HydrophobicContact CD2-CG2 4.42Å; F117-T120 VanDerWaalsContact O-CB 3.28Å; F117-T120 WeakPolarHBondContact O-CB 3.43Å; F117-T120 VanDerWaalsContact O-CG2 3.28Å; F117-T120 WeakPolarHBondContact O-CG2 3.46Å; F117-T120 PolarHBondContact O-N 3.5Å; F117-T120 PolarHBondContact O-OG1 2.91Å; F117-L124 HydrophobicContact CZ-CD2 4.47Å
118E60.2Low69.8Low74 Ų7453.9 Ų53.935%0.34628%0.282SS..G310 helixtrans-62.7-36.6176.5-54.8-169.8122.400112.6T116 T120 R121T116-E118 PolarHBondContact O-N 2.96Å; T116-E118 VanDerWaalsContact O-N 3.15Å; E118-T120 PolarHBondContact O-N 2.65Å; E118-R121 WeakPolarHBondContact O-CB 3.35Å; E118-R121 PolarHBondContact O-N 3.16Å
119S60.8Low70.2Confident10 Ų1052.3 Ų52.37%0.0727%0.274CS..G310 helixtrans-66.5-8.6175.1-172.50000113.4H112 T116 F117 R121H112-S119 PolarHBondContact N-OG 2.67Å; H112-S119 PolarHBondContact O-OG 3.11Å; T116-S119 PolarHBondContact O-N 3.06Å; T116-S119 VanDerWaalsContact O-N 3.08Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 2.83Å; S119-R121 PolarHBondContact O-N 3.05Å
120T67.3Low70.9Confident27 Ų2752.9 Ų52.917%0.16628%0.278CS..G310 helixtrans-72.4-15.9172.573.70000112.7F117 E118 A122 F123 L124F117-T120 HydrophobicContact CD2-CG2 4.42Å; F117-T120 VanDerWaalsContact O-CB 3.28Å; F117-T120 WeakPolarHBondContact O-CB 3.43Å; F117-T120 VanDerWaalsContact O-CG2 3.28Å; F117-T120 WeakPolarHBondContact O-CG2 3.46Å; F117-T120 PolarHBondContact O-N 3.5Å; F117-T120 PolarHBondContact O-OG1 2.91Å; E118-T120 PolarHBondContact O-N 2.65Å; T120-A122 PolarHBondContact O-N 3.22Å; T120-F123 HydrophobicContact CG2-CE1 4.2Å; T120-F123 HydrophobicContact CG2-CE2 4.41Å; T120-F123 HydrophobicContact CG2-CZ 3.7Å; T120-F123 PolarHBondContact O-N 3.1Å; T120-L124 WeakPolarHBondContact O-CB 3.43Å; T120-L124 PolarHBondContact O-N 2.95Å
121R70.6Confident71.8Confident33 Ų3352.6 Ų52.613%0.12529%0.286CS..G310 helixtrans-49-28.7175.4-174.5178.2-178.3-169.8-8.3114.1I26 E118 S119 P125 K290I26-R121 HydrophobicContact CG2-CG 4.36Å; I26-R121 WeakPolarHBondContact O-CG 3.41Å; I26-R121 PolarHBondContact O-NE 2.92Å; E118-R121 WeakPolarHBondContact O-CB 3.35Å; E118-R121 PolarHBondContact O-N 3.16Å; S119-R121 PolarHBondContact O-N 3.05Å; R121-P125 WeakPolarHBondContact O-CD 3.31Å; R121-K290 PolarHBondContact NH1-O 3.16Å
122A69.2Low72.4Confident7 Ų748.7 Ų48.76%0.05827%0.271CS..G310 helixtrans-68.3-34.4177.800000114R27 T120R27-A122 PolarHBondContact NH1-O 3.29Å; T120-A122 PolarHBondContact O-N 3.22Å
123F78.5Confident73.3Confident78 Ų7846.8 Ų46.834%0.34226%0.262SS..THydrogen-bonded Turntrans-127.1-22.3-170.266.2-100000115.2F111 T120 P125 E126 I127F111-F123 HydrophobicContact CD2-CD1 4.38Å; F111-F123 HydrophobicContact CD2-CE1 4.28Å; F111-F123 HydrophobicContact CE2-CE1 4.04Å; T120-F123 HydrophobicContact CG2-CE1 4.2Å; T120-F123 HydrophobicContact CG2-CE2 4.41Å; T120-F123 HydrophobicContact CG2-CZ 3.7Å; T120-F123 PolarHBondContact O-N 3.1Å; F123-P125 VanDerWaalsContact C-CD 3.45Å; F123-E126 WeakPolarHBondContact O-CB 3.35Å; F123-E126 PolarHBondContact O-N 3.15Å; F123-E126 VanDerWaalsContact O-N 3.12Å; F123-I127 HydrophobicContact CD2-CD1 3.68Å; F123-I127 HydrophobicContact CE2-CD1 4.01Å; F123-I127 PolarHBondContact O-N 3.21Å
124L79Confident74.7Confident45 Ų4546.3 Ų46.324%0.23625%0.254CS..Hα-helixtrans-56.3-40.7179.4-176.569.7000113.9I26 F117 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.23Å; F117-L124 HydrophobicContact CZ-CD2 4.47Å; T120-L124 WeakPolarHBondContact O-CB 3.43Å; T120-L124 PolarHBondContact O-N 2.95Å; L124-E126 VanDerWaalsContact C-N 3.27Å; L124-E126 PolarHBondContact O-N 2.79Å; L124-I127 PolarHBondContact O-N 3.49Å; L124-I128 HydrophobicContact CD1-CD1 4.32Å; L124-I128 HydrophobicContact CG-CD1 3.97Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.46Å; L124-I128 VanDerWaalsContact O-N 3.11Å
125P79.8Confident76.1Confident0 Ų045.3 Ų45.30%024%0.244CC..Hα-helixtrans-56.1-40.6174.3-26.335.3000113.2A23 I26 R27 R121 F123 I128 A129A23-P125 HydrophobicContact CB-CB 4.1Å; I26-P125 HydrophobicContact CB-CG 4.05Å; I26-P125 HydrophobicContact CG2-CG 3.69Å; R27-P125 HydrophobicContact CB-CG 3.88Å; R121-P125 WeakPolarHBondContact O-CD 3.31Å; F123-P125 VanDerWaalsContact C-CD 3.45Å; P125-I128 PolarHBondContact O-N 2.95Å; P125-A129 WeakPolarHBondContact O-CB 3.37Å; P125-A129 PolarHBondContact O-N 3.29Å
126E85.2Confident77.8Confident10 Ų1044 Ų445%0.04723%0.23CC..Hα-helixtrans-68.3-39.4-177.6-47.7-54.2158.900110.9R27 Y35 V72 A73 V76 F123 L124 T130R27-E126 IonicContact CZ-OE1 3.04Å; R27-E126 IonicContact NH1-OE1 3.17Å; R27-E126 PolarHBondContact NH1-OE1 3Å; R27-E126 IonicContact NH2-OE1 2.72Å; R27-E126 PolarHBondContact NH2-OE1 3.35Å; Y35-E126 PolarHBondContact OH-OE2 3.32Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.46Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.35Å; A73-E126 HydrophobicContact CB-CB 4.46Å; V76-E126 HydrophobicContact CG2-CG 4.34Å; F123-E126 WeakPolarHBondContact O-CB 3.35Å; F123-E126 PolarHBondContact O-N 3.15Å; F123-E126 VanDerWaalsContact O-N 3.12Å; L124-E126 VanDerWaalsContact C-N 3.27Å; L124-E126 PolarHBondContact O-N 2.79Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.33Å; E126-T130 VanDerWaalsContact O-CG2 3.26Å; E126-T130 WeakPolarHBondContact O-CG2 3.38Å; E126-T130 PolarHBondContact O-N 2.68Å; E126-T130 PolarHBondContact O-OG1 2.78Å
127I85.9Confident79.2Confident91 Ų9141.5 Ų41.547%0.46721%0.214SC..Hα-helixtrans-63.8-45.3175.9-62.8177.9000110.8F123 L124 T130 S131F123-I127 HydrophobicContact CD2-CD1 3.68Å; F123-I127 HydrophobicContact CE2-CD1 4.01Å; F123-I127 PolarHBondContact O-N 3.21Å; L124-I127 PolarHBondContact O-N 3.49Å; I127-T130 PolarHBondContact O-OG1 3.23Å; I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.4Å; I127-S131 PolarHBondContact O-N 3.49Å; I127-S131 PolarHBondContact O-OG 3.23Å
128I87.2Confident80.4Confident46 Ų4637.9 Ų37.924%0.23620%0.201CC..Hα-helixtrans-64.3-46.5179.6-66.3167.9000110.5A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 4.11Å; I26-I128 HydrophobicContact CD1-CD1 3.67Å; L124-I128 HydrophobicContact CD1-CD1 4.32Å; L124-I128 HydrophobicContact CG-CD1 3.97Å; L124-I128 WeakPolarHBondContact O-CG1 3.39Å; L124-I128 PolarHBondContact O-N 3.46Å; L124-I128 VanDerWaalsContact O-N 3.11Å; P125-I128 PolarHBondContact O-N 2.95Å; I128-S131 PolarHBondContact O-OG 2.9Å; I128-A132 WeakPolarHBondContact O-CB 3.41Å; I128-A132 PolarHBondContact O-N 3.13Å
129A86.1Confident81.4Confident0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-67.3-48.4-17900000112.4A23 Y35 C69 P125 A133A23-A129 HydrophobicContact CB-CB 4.27Å; Y35-A129 HydrophobicContact CE1-CB 4.18Å; C69-A129 HydrophobicContact CB-CB 4.42Å; P125-A129 WeakPolarHBondContact O-CB 3.37Å; P125-A129 PolarHBondContact O-N 3.29Å; A129-A133 VanDerWaalsContact O-CB 3.27Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 3.35Å
130T88.1Confident82.3Confident39 Ų3935.3 Ų35.324%0.23919%0.189CC..Hα-helixtrans-66.7-41-179.454.50000112.9C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.88Å; A73-T130 HydrophobicContact CB-CG2 4.07Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.33Å; E126-T130 VanDerWaalsContact O-CG2 3.26Å; E126-T130 WeakPolarHBondContact O-CG2 3.38Å; E126-T130 PolarHBondContact O-N 2.68Å; E126-T130 PolarHBondContact O-OG1 2.78Å; I127-T130 PolarHBondContact O-OG1 3.23Å; T130-A133 PolarHBondContact O-N 2.81Å; T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 PolarHBondContact O-N 2.74Å
131S87.5Confident82.8Confident63 Ų6338.6 Ų38.644%0.44120%0.203SC..Hα-helixtrans-66.7-41.3178.260.80000112.6I127 I128 L134 L135I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.4Å; I127-S131 PolarHBondContact O-N 3.49Å; I127-S131 PolarHBondContact O-OG 3.23Å; I128-S131 PolarHBondContact O-OG 2.9Å; S131-L134 PolarHBondContact O-N 3.36Å; S131-L135 WeakPolarHBondContact O-CB 3.43Å; S131-L135 PolarHBondContact O-N 2.71Å
132A86.5Confident83Confident10 Ų1044.8 Ų44.88%0.08323%0.231CC..Hα-helixtrans-67.3-38.3174.400000112.3L16 A19 I128 T136L16-A132 HydrophobicContact CD1-CB 4.43Å; A19-A132 HydrophobicContact CB-CB 3.47Å; A19-A132 VanDerWaalsContact CB-CB 3.47Å; I128-A132 WeakPolarHBondContact O-CB 3.41Å; I128-A132 PolarHBondContact O-N 3.13Å; A132-T136 WeakPolarHBondContact O-CB 3.44Å; A132-T136 WeakPolarHBondContact O-CG2 3.43Å; A132-T136 PolarHBondContact O-N 3.08Å; A132-T136 PolarHBondContact O-OG1 3Å
133A86.6Confident83.1Confident0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-65.4-39.7174.500000112.2F66 C69 A129 T130 T136 I137F66-A133 HydrophobicContact CB-CB 4.21Å; F66-A133 HydrophobicContact CD2-CB 4.19Å; C69-A133 HydrophobicContact CB-CB 4.49Å; A129-A133 VanDerWaalsContact O-CB 3.27Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 3.35Å; T130-A133 PolarHBondContact O-N 2.81Å; A133-T136 WeakPolarHBondContact CA-OG1 3.38Å; A133-T136 PolarHBondContact O-OG1 3.47Å; A133-I137 PolarHBondContact O-N 3.31Å
134L88.1Confident82.3Confident88 Ų8846.6 Ų46.646%0.46125%0.25SS..Hα-helixtrans-66.1-47.6175-176.266.7000111.8F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.34Å; T130-L134 WeakPolarHBondContact O-CB 3.47Å; T130-L134 PolarHBondContact O-N 2.74Å; S131-L134 PolarHBondContact O-N 3.36Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.28Å; L134-I137 WeakPolarHBondContact O-CB 3.17Å; L134-I137 PolarHBondContact O-N 3.14Å; L134-I138 HydrophobicContact CD1-CD1 4.43Å; L134-I138 HydrophobicContact CG-CD1 4.05Å; L134-I138 WeakPolarHBondContact O-CG1 3.5Å; L134-I138 PolarHBondContact O-N 2.63Å
135L86.7Confident81.3Confident79 Ų7947 Ų4741%0.41425%0.251SS..Hα-helixtrans-60.5-41.2178.2-171.283.1000111.8L15 S131 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.65Å; S131-L135 WeakPolarHBondContact O-CB 3.43Å; S131-L135 PolarHBondContact O-N 2.71Å; L135-I138 PolarHBondContact O-N 3.37Å; L135-I139 HydrophobicContact CD1-CD1 4.36Å; L135-I139 HydrophobicContact CD2-CD1 4.26Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 2.98Å; L135-I139 PolarHBondContact O-N 2.92Å
136T84.1Confident79.7Confident1 Ų155.1 Ų55.11%0.00628%0.281CS..Hα-helixtrans-68.5-38.3177.652.50000111.9V11 L16 A132 A133 L134 V140V11-T136 HydrophobicContact CG1-CG2 3.37Å; L16-T136 HydrophobicContact CB-CG2 3.91Å; L16-T136 HydrophobicContact CD1-CG2 4.26Å; L16-T136 HydrophobicContact CD2-CG2 4.21Å; L16-T136 HydrophobicContact CG-CG2 4.35Å; A132-T136 WeakPolarHBondContact O-CB 3.44Å; A132-T136 WeakPolarHBondContact O-CG2 3.43Å; A132-T136 PolarHBondContact O-N 3.08Å; A132-T136 PolarHBondContact O-OG1 3Å; A133-T136 WeakPolarHBondContact CA-OG1 3.38Å; A133-T136 PolarHBondContact O-OG1 3.47Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.28Å; T136-V140 VanDerWaalsContact O-CB 3.23Å; T136-V140 WeakPolarHBondContact O-CB 3.34Å; T136-V140 VanDerWaalsContact O-CG2 3.22Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 3.4Å
137I86.1Confident77.6Confident22 Ų2261.4 Ų61.411%0.11332%0.315CS..Hα-helixtrans-56.3-51.2167.8-83179.5000111.1V62 F66 A133 L134 I139 V140 M141 F142V62-I137 HydrophobicContact CG1-CB 4.38Å; V62-I137 HydrophobicContact CG1-CG1 3.45Å; V62-I137 VanDerWaalsContact CG1-CG1 3.45Å; F66-I137 HydrophobicContact CB-CD1 3.38Å; F66-I137 HydrophobicContact CB-CG1 4.39Å; F66-I137 HydrophobicContact CD1-CD1 3.72Å; F66-I137 HydrophobicContact CD2-CD1 3.85Å; F66-I137 HydrophobicContact CE1-CD1 4.45Å; F66-I137 HydrophobicContact CG-CD1 3.36Å; A133-I137 PolarHBondContact O-N 3.31Å; L134-I137 WeakPolarHBondContact O-CB 3.17Å; L134-I137 PolarHBondContact O-N 3.14Å; I137-I139 PolarHBondContact O-N 3.24Å; I137-V140 PolarHBondContact O-N 3.01Å; I137-M141 VanDerWaalsContact O-CB 3.24Å; I137-M141 WeakPolarHBondContact O-CB 3.44Å; I137-M141 PolarHBondContact O-N 2.62Å; I137-F142 HydrophobicContact CG2-CD2 4.28Å; I137-F142 HydrophobicContact CG2-CE2 4.02Å
138I84.7Confident75.4Confident73 Ų7364 Ų6437%0.37433%0.325SS..Iπ-helixtrans-59.6-50.8-177.4-67.7164.2000110.9L134 L135 V140 F142 L143L134-I138 HydrophobicContact CD1-CD1 4.43Å; L134-I138 HydrophobicContact CG-CD1 4.05Å; L134-I138 WeakPolarHBondContact O-CG1 3.5Å; L134-I138 PolarHBondContact O-N 2.63Å; L135-I138 PolarHBondContact O-N 3.37Å; I138-V140 PolarHBondContact O-N 3.15Å; I138-F142 WeakPolarHBondContact O-CB 3.48Å; I138-F142 PolarHBondContact O-N 3.35Å; I138-F142 VanDerWaalsContact O-N 3.14Å; I138-L143 HydrophobicContact CG2-CD1 4.25Å
139I82.4Confident72.8Confident26 Ų2670 Ų7013%0.13335%0.352CS..Iπ-helixtrans-67.7-34.8-176.3-66.8173.8000112.6V3 K8 V11 L135 I137 L143V3-I139 HydrophobicContact CG1-CG2 4.48Å; K8-I139 VanDerWaalsContact CE-O 3.31Å; K8-I139 WeakPolarHBondContact CE-O 3.41Å; K8-I139 HydrophobicContact CG-CG2 4.28Å; V11-I139 HydrophobicContact CG1-CB 4.45Å; V11-I139 HydrophobicContact CG1-CD1 4.3Å; V11-I139 HydrophobicContact CG1-CG2 4.43Å; V11-I139 HydrophobicContact CG2-CD1 3.98Å; V11-I139 HydrophobicContact CG2-CG2 4.33Å; L135-I139 HydrophobicContact CD1-CD1 4.36Å; L135-I139 HydrophobicContact CD2-CD1 4.26Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 2.98Å; L135-I139 PolarHBondContact O-N 2.92Å; I137-I139 PolarHBondContact O-N 3.24Å; I139-L143 HydrophobicContact CG1-CD1 4.4Å
140V78.2Confident70.5Confident4 Ų478 Ų782%0.02439%0.394CS..Iπ-helixtrans-88.6-44.1-174.6178.60000112K8 V12 L54 T136 I137 I138K8-V140 PolarHBondContact NZ-O 3.44Å; V12-V140 HydrophobicContact CG2-CG2 3.75Å; L54-V140 HydrophobicContact CD1-CG1 3.66Å; L54-V140 HydrophobicContact CD2-CG1 3.67Å; L54-V140 HydrophobicContact CG-CG1 4.31Å; T136-V140 VanDerWaalsContact O-CB 3.23Å; T136-V140 WeakPolarHBondContact O-CB 3.34Å; T136-V140 VanDerWaalsContact O-CG2 3.22Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 3.4Å; I137-V140 PolarHBondContact O-N 3.01Å; I138-V140 PolarHBondContact O-N 3.15Å
141M78.6Confident67.7Low95 Ų9583 Ų8347%0.46842%0.42SS..Iπ-helixtrans-93.2-37.2-171.6-58.2-95.7-8400113.8I63 I137I63-M141 HydrophobicContact CD1-CE 3.97Å; I63-M141 HydrophobicContact CG1-CE 4.08Å; I137-M141 VanDerWaalsContact O-CB 3.24Å; I137-M141 WeakPolarHBondContact O-CB 3.44Å; I137-M141 PolarHBondContact O-N 2.62Å
142F75.1Confident65Low163 Ų16386.3 Ų86.372%0.71544%0.437SS*.Iπ-helixtrans-97-13.7-171.2-75.7-89.2000115.4I137 I138I137-F142 HydrophobicContact CG2-CD2 4.28Å; I137-F142 HydrophobicContact CG2-CE2 4.02Å; I138-F142 WeakPolarHBondContact O-CB 3.48Å; I138-F142 PolarHBondContact O-N 3.35Å; I138-F142 VanDerWaalsContact O-N 3.14Å
143L71.7Confident62.2Low37 Ų3792.9 Ų92.919%0.19448%0.476CS..SBendtrans-108.6119.8-172.5-77.6152.5000112.4M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.53Å; M1-L143 VanDerWaalsContact O-CD2 3.28Å; M1-L143 WeakPolarHBondContact O-CD2 3.41Å; V3-L143 HydrophobicContact CB-CB 4.44Å; V3-L143 HydrophobicContact CG2-CB 3.87Å; V3-L143 HydrophobicContact CG2-CD1 4.11Å; V3-L143 HydrophobicContact CG2-CD2 4.08Å; V3-L143 HydrophobicContact CG2-CG 4.23Å; K8-L143 VanDerWaalsContact CE-O 3.3Å; K8-L143 WeakPolarHBondContact CE-O 3.38Å; K8-L143 PolarHBondContact NZ-O 3.43Å; I138-L143 HydrophobicContact CG2-CD1 4.25Å; I139-L143 HydrophobicContact CG1-CD1 4.4Å
144S60.7Low59.5Low86 Ų8696.1 Ų96.160%0.60151%0.509SS*.BIsolated β-bridgetrans-75.4161-171.6-164.60000114.8T2 V3T2-S144 WeakPolarHBondContact CA-O 3.47Å; V3-S144 PolarHBondContact N-O 3.38Å
145H56.9Low56.6Low54 Ų5499.7 Ų99.725%0.2553%0.529CS..  trans-84.1161.6170.5-86.8-37.1000112.1V3V3-H145 PolarHBondContact O-ND1 3.01Å
146R47.2Very low53.8Low171 Ų171102.6 Ų102.665%0.64555%0.549SS*.  trans-109.9113.9170.3171.1177.5171.4150.4-4.3107.1T2 E148T2-R146 HydrophobicContact CG2-CB 4.28Å; R146-E148 IonicContact CZ-OE1 3.75Å; R146-E148 IonicContact NE-OE1 3.64Å; R146-E148 PolarHBondContact NE-OE1 3.46Å; R146-E148 IonicContact NH2-OE1 2.81Å; R146-E148 PolarHBondContact NH2-OE1 3.07Å
147D40.6Very low51.5Low141 Ų141108.7 Ų108.775%0.75459%0.586SS**  trans-82.8139.7167.7-62.6-41.6000108.9
148E41Very low48.7Very low146 Ų146114.1 Ų114.168%0.68262%0.621SS**  trans-141.796.8-178.9-164.4160-116.300107.3R146R146-E148 IonicContact CZ-OE1 3.75Å; R146-E148 IonicContact NE-OE1 3.64Å; R146-E148 PolarHBondContact NE-OE1 3.46Å; R146-E148 IonicContact NH2-OE1 2.81Å; R146-E148 PolarHBondContact NH2-OE1 3.07Å
149Q31.1Very low46.1Very low171 Ų171117.1 Ų117.180%0.79964%0.642SS**  trans-68.1135.3175.3-69.2167.7-84.900109.4
150L37.6Very low43.4Very low168 Ų168127.4 Ų127.488%0.8868%0.679SS**  trans-148.9126156-144.483.8000108.6
151D30Very low41Very low145 Ų145131.9 Ų131.978%0.77571%0.71SS**  trans-79.5167.1-159.6-61.3-67000115.7
152V30.4Very low38.6Very low132 Ų132135.8 Ų135.880%0.873%0.727SS**  trans-110.6162.6176.6177.20000108.4
153V29.3Very low36.7Very low149 Ų149133.3 Ų133.390%0.90373%0.73SS**  trans80.4136.5-178.2-165.80000113.1
154G28.5Very low34.9Very low67 Ų67133.8 Ų133.869%0.69174%0.744SS**  cis-173.1172.5-2.600000110.4
155D27.8Very low33.6Very low164 Ų164139.6 Ų139.688%0.87775%0.753SS**  trans-76.5139.1-165.2-62.7-70.7000117.7
156V27.5Very low32.7Very low140 Ų140144.7 Ų144.785%0.84878%0.777SS**  trans-151.1137.7142.3-178.40000109.5
157V36.3Very low32.3Very low128 Ų128143.2 Ų143.278%0.77678%0.777SS**  trans-87.6136.5179.9175.40000112.5
158T27.2Very low32.1Very low137 Ų137146 Ų14684%0.8478%0.777SS**  trans-137147.7156.751.30000111.9
159V30.7Very low32Very low135 Ų135148 Ų14882%0.81878%0.778SS**  trans-92.6108.6-169.5177.20000111.7
160R25.7Very low32.4Very low242 Ų242146.6 Ų146.691%0.91377%0.772SS**  trans-171.4150.4154.8-118.3172.2169.5101.2-3.8115.4
161S27.1Very low32.4Very low98 Ų98148 Ų14869%0.68577%0.766SS**  trans71.4112.1162.7-161.40000119.3S163S161-S163 VanDerWaalsContact C-N 3.34Å; S161-S163 PolarHBondContact O-N 2.99Å; S161-S163 PolarHBondContact OG-OG 2.83Å; S161-S163 VanDerWaalsContact OG-OG 3.08Å
162E29Very low32.8Very low177 Ų177147.9 Ų147.983%0.82776%0.758SS**G310 helixtrans-78.5-6.2178.7-65.6-172.5106.100115.4G164E162-G164 VanDerWaalsContact C-N 3.25Å; E162-G164 PolarHBondContact O-N 3.14Å; E162-G164 VanDerWaalsContact O-N 3.08Å
163S34.1Very low33.2Very low111 Ų111146.1 Ų146.178%0.77674%0.744SS**G310 helixtrans-68.4-10.3-167.856.40000116.3S161S161-S163 VanDerWaalsContact C-N 3.34Å; S161-S163 PolarHBondContact O-N 2.99Å; S161-S163 PolarHBondContact OG-OG 2.83Å; S161-S163 VanDerWaalsContact OG-OG 3.08Å
164G35.2Very low33.6Very low47 Ų47142 Ų14249%0.48573%0.726SS.*G310 helixtrans-91.3-5-174.500000116.7E162E162-G164 VanDerWaalsContact C-N 3.25Å; E162-G164 PolarHBondContact O-N 3.14Å; E162-G164 VanDerWaalsContact O-N 3.08Å
165R31.7Very low34.2Very low208 Ų208141.9 Ų141.979%0.78572%0.718SS**Hα-helixtrans-76.9-29.6-162.1-136.8170.7-171.6159.41.9114.6R169R165-R169 PolarHBondContact O-N 2.9Å
166E38.6Very low34.9Very low161 Ų161138.9 Ų138.975%0.75270%0.701SS**Hα-helixtrans-81.7-43.8-177.4-88.7176.8145.500114.1R168 R169 Q170E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.44Å; E166-R169 WeakPolarHBondContact O-CA 3.32Å; E166-R169 WeakPolarHBondContact O-CB 3.25Å; E166-R169 PolarHBondContact O-N 2.67Å; E166-Q170 PolarHBondContact O-N 3.31Å
167Q40Very low35.4Very low141 Ų141137.5 Ų137.566%0.65969%0.686SS**Hα-helixtrans-64.5-33.9-178.3-130.5174.211.600112.1R171Q167-R171 PolarHBondContact O-N 2.86Å
168R36.1Very low35.6Very low200 Ų200140.4 Ų140.476%0.75568%0.683SS**Hα-helixtrans-72.7-28.6173-141.7172.3-169.7178.92.6112E166 K172E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.44Å; R168-K172 WeakPolarHBondContact O-CB 3.21Å; R168-K172 WeakPolarHBondContact O-CG 3.04Å; R168-K172 PolarHBondContact O-N 2.91Å; R168-K172 VanDerWaalsContact O-N 3.1Å
169R37.4Very low36.5Very low186 Ų186136.9 Ų136.970%0.70266%0.664SS**Hα-helixtrans-72.7-41.2175.3-146.2174.8-169.4-1782.5111.6R165 E166 L173R165-R169 PolarHBondContact O-N 2.9Å; E166-R169 WeakPolarHBondContact O-CA 3.32Å; E166-R169 WeakPolarHBondContact O-CB 3.25Å; E166-R169 PolarHBondContact O-N 2.67Å; R169-L173 VanDerWaalsContact O-CB 3.31Å; R169-L173 WeakPolarHBondContact O-CB 3.5Å; R169-L173 PolarHBondContact O-N 3.46Å
170Q41.2Very low36.9Very low142 Ų142132.9 Ų132.966%0.66465%0.646SS**Hα-helixtrans-65.9-45.5174.8-76.8-178.8-20.700113E166 L173 A174E166-Q170 PolarHBondContact O-N 3.31Å; Q170-L173 PolarHBondContact O-N 3.49Å; Q170-A174 PolarHBondContact O-N 3.32Å
171R37.1Very low37.6Very low198 Ų198124.6 Ų124.675%0.74762%0.619SS**Hα-helixtrans-65.6-37.7175.8-73.7-176179.6169.81.7112.5Q167 A175Q167-R171 PolarHBondContact O-N 2.86Å; R171-A175 WeakPolarHBondContact O-CB 3.45Å; R171-A175 PolarHBondContact O-N 3.14Å; R171-A175 VanDerWaalsContact O-N 3.14Å
172K37.2Very low38.4Very low143 Ų143121.3 Ų121.362%0.62260%0.6SS**Hα-helixtrans-64.2-43.4169.7-83-170.8171.7-172.40111.7R168 A174 A175 I176R168-K172 WeakPolarHBondContact O-CB 3.21Å; R168-K172 WeakPolarHBondContact O-CG 3.04Å; R168-K172 PolarHBondContact O-N 2.91Å; R168-K172 VanDerWaalsContact O-N 3.1Å; K172-A174 PolarHBondContact O-N 3.3Å; K172-A175 PolarHBondContact O-N 3.47Å; K172-I176 HydrophobicContact CB-CD1 4.26Å; K172-I176 VanDerWaalsContact O-CB 3.26Å; K172-I176 WeakPolarHBondContact O-CB 3.47Å; K172-I176 WeakPolarHBondContact O-CD1 3.36Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3.09Å
173L38.7Very low39.3Very low95 Ų95117 Ų11750%0.49758%0.583SS.*Hα-helixtrans-60.5-43.4176.8-94.1160.6000112.5R169 Q170 I176 M177R169-L173 VanDerWaalsContact O-CB 3.31Å; R169-L173 WeakPolarHBondContact O-CB 3.5Å; R169-L173 PolarHBondContact O-N 3.46Å; Q170-L173 PolarHBondContact O-N 3.49Å; L173-I176 PolarHBondContact O-N 3.27Å; L173-M177 WeakPolarHBondContact O-CB 3.41Å; L173-M177 PolarHBondContact O-N 3.2Å
174A38.4Very low39.7Very low63 Ų63114.5 Ų114.552%0.52157%0.566SS.*Hα-helixtrans-64.2-43.1176.300000112.2Q170 K172 M177 W178Q170-A174 PolarHBondContact O-N 3.32Å; K172-A174 PolarHBondContact O-N 3.3Å; A174-M177 PolarHBondContact O-N 3.44Å; A174-W178 PolarHBondContact O-N 3.05Å
175A41.4Very low40.3Very low64 Ų64117 Ų11753%0.52957%0.567SS.*Hα-helixtrans-67.8-39.6176.500000112.9R171 K172 S179R171-A175 WeakPolarHBondContact O-CB 3.45Å; R171-A175 PolarHBondContact O-N 3.14Å; R171-A175 VanDerWaalsContact O-N 3.14Å; K172-A175 PolarHBondContact O-N 3.47Å; A175-S179 WeakPolarHBondContact O-CB 3.42Å; A175-S179 PolarHBondContact O-N 3.25Å; A175-S179 PolarHBondContact O-OG 3.42Å
176I41.7Very low41.4Very low100 Ų100113.7 Ų113.751%0.51356%0.555SS.*Hα-helixtrans-66.7-41.8174.4-72.1161.1000110.3K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.26Å; K172-I176 VanDerWaalsContact O-CB 3.26Å; K172-I176 WeakPolarHBondContact O-CB 3.47Å; K172-I176 WeakPolarHBondContact O-CD1 3.36Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3.09Å; L173-I176 PolarHBondContact O-N 3.27Å; I176-S179 PolarHBondContact O-N 3.08Å; I176-S179 PolarHBondContact O-OG 3.5Å; I176-A180 WeakPolarHBondContact O-CB 3.39Å; I176-A180 PolarHBondContact O-N 3.24Å
177M38Very low42.1Very low111 Ų111113.2 Ų113.255%0.54755%0.546SS..Hα-helixtrans-66.9-42.5178.8-169.1-173.3-60.100111L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CB 3.41Å; L173-M177 PolarHBondContact O-N 3.2Å; A174-M177 PolarHBondContact O-N 3.44Å; M177-A180 PolarHBondContact O-N 3.22Å; M177-I181 HydrophobicContact CG-CD1 3.87Å; M177-I181 WeakPolarHBondContact O-CB 3.42Å; M177-I181 VanDerWaalsContact O-CG1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.25Å; M177-I181 PolarHBondContact O-N 3.23Å
178W41.2Very low42.8Very low189 Ų189111.3 Ų111.372%0.71654%0.54SS*.Hα-helixtrans-70.2-34176.7-140.1169.4000111.9A174 I181 G182A174-W178 PolarHBondContact O-N 3.05Å; W178-I181 HydrophobicContact CE3-CB 3.96Å; W178-I181 HydrophobicContact CE3-CG2 4.03Å; W178-I181 HydrophobicContact CZ3-CB 4.15Å; W178-I181 HydrophobicContact CZ3-CG2 3.67Å; W178-G182 PolarHBondContact O-N 3.34Å
179S45.7Very low44Very low63 Ų63103.8 Ų103.844%0.44152%0.516SS..Hα-helixtrans-71.2-34.8172.678.20000112.5A175 I176 N183A175-S179 WeakPolarHBondContact O-CB 3.42Å; A175-S179 PolarHBondContact O-N 3.25Å; A175-S179 PolarHBondContact O-OG 3.42Å; I176-S179 PolarHBondContact O-N 3.08Å; I176-S179 PolarHBondContact O-OG 3.5Å; S179-N183 VanDerWaalsContact O-CB 3.25Å; S179-N183 WeakPolarHBondContact O-CB 3.34Å; S179-N183 VanDerWaalsContact O-CG 3.3Å; S179-N183 PolarHBondContact O-N 2.97Å; S179-N183 PolarHBondContact O-ND2 3.21Å
180A39.9Very low45.4Very low51 Ų5197.8 Ų97.842%0.42150%0.498SS..Hα-helixtrans-70.4-42.2176.100000111.9I176 M177 N183 S184I176-A180 WeakPolarHBondContact O-CB 3.39Å; I176-A180 PolarHBondContact O-N 3.24Å; M177-A180 PolarHBondContact O-N 3.22Å; A180-N183 PolarHBondContact O-N 2.93Å; A180-S184 VanDerWaalsContact O-CB 3.29Å; A180-S184 WeakPolarHBondContact O-CB 3.08Å; A180-S184 PolarHBondContact O-N 3.34Å; A180-S184 PolarHBondContact O-OG 3.03Å
181I40.9Very low46.7Very low69 Ų6997 Ų9735%0.35449%0.493SS..Hα-helixtrans-68.5-40.9173-64.4165.5000110.2M177 W178 N183 S184 L185M177-I181 HydrophobicContact CG-CD1 3.87Å; M177-I181 WeakPolarHBondContact O-CB 3.42Å; M177-I181 VanDerWaalsContact O-CG1 3.23Å; M177-I181 WeakPolarHBondContact O-CG1 3.25Å; M177-I181 PolarHBondContact O-N 3.23Å; W178-I181 HydrophobicContact CE3-CB 3.96Å; W178-I181 HydrophobicContact CE3-CG2 4.03Å; W178-I181 HydrophobicContact CZ3-CB 4.15Å; W178-I181 HydrophobicContact CZ3-CG2 3.67Å; I181-N183 VanDerWaalsContact C-N 3.32Å; I181-N183 PolarHBondContact O-N 3.04Å; I181-S184 WeakPolarHBondContact CA-OG 3.3Å; I181-S184 PolarHBondContact O-N 3.16Å; I181-S184 PolarHBondContact O-OG 2.91Å; I181-S184 VanDerWaalsContact O-OG 3.13Å; I181-L185 HydrophobicContact CG2-CD1 3.59Å; I181-L185 WeakPolarHBondContact O-CB 3.37Å; I181-L185 WeakPolarHBondContact O-CD1 3.34Å; I181-L185 PolarHBondContact O-N 3.25Å
182G43.9Very low48.2Very low29 Ų2990.5 Ų90.530%0.29948%0.475SS..Hα-helixtrans-61.2-38.617400000113.1W178 R186W178-G182 PolarHBondContact O-N 3.34Å; G182-R186 WeakPolarHBondContact O-CG 3.41Å; G182-R186 PolarHBondContact O-N 2.81Å; G182-R186 VanDerWaalsContact O-N 3.11Å
183N46.7Very low50Low85 Ų8584.2 Ų84.246%0.45545%0.448SS..Hα-helixtrans-78.4-30.3175.1-75.6-26.3000113.1S179 A180 I181 R186 R187S179-N183 VanDerWaalsContact O-CB 3.25Å; S179-N183 WeakPolarHBondContact O-CB 3.34Å; S179-N183 VanDerWaalsContact O-CG 3.3Å; S179-N183 PolarHBondContact O-N 2.97Å; S179-N183 PolarHBondContact O-ND2 3.21Å; A180-N183 PolarHBondContact O-N 2.93Å; I181-N183 VanDerWaalsContact C-N 3.32Å; I181-N183 PolarHBondContact O-N 3.04Å; N183-R186 PolarHBondContact O-N 3.35Å; N183-R187 PolarHBondContact O-N 3.49Å; N183-R187 VanDerWaalsContact O-N 3.09Å
184S43Very low51.9Low60 Ų6081.7 Ų81.742%0.4243%0.433SS..Hα-helixtrans-71.4-42.9173.880.40000110.8A180 I181 R186 R187 L188A180-S184 VanDerWaalsContact O-CB 3.29Å; A180-S184 WeakPolarHBondContact O-CB 3.08Å; A180-S184 PolarHBondContact O-N 3.34Å; A180-S184 PolarHBondContact O-OG 3.03Å; I181-S184 WeakPolarHBondContact CA-OG 3.3Å; I181-S184 PolarHBondContact O-N 3.16Å; I181-S184 PolarHBondContact O-OG 2.91Å; I181-S184 VanDerWaalsContact O-OG 3.13Å; S184-R186 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 2.95Å; S184-R187 PolarHBondContact O-N 3.01Å; S184-L188 WeakPolarHBondContact O-CB 3.3Å; S184-L188 PolarHBondContact O-N 3.48Å
185L47.7Very low53.6Low98 Ų9882.5 Ų82.551%0.51343%0.428SS..Hα-helixtrans-57.9-41.7168.6-97.2108.8000111.6I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.59Å; I181-L185 WeakPolarHBondContact O-CB 3.37Å; I181-L185 WeakPolarHBondContact O-CD1 3.34Å; I181-L185 PolarHBondContact O-N 3.25Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.31Å; L185-L188 PolarHBondContact O-N 3.33Å; L185-T189 VanDerWaalsContact O-CB 3.3Å; L185-T189 WeakPolarHBondContact O-CB 3.49Å; L185-T189 WeakPolarHBondContact O-CG2 3.5Å; L185-T189 PolarHBondContact O-N 3.46Å; L185-T189 PolarHBondContact O-OG1 2.98Å
186R54.8Low55.7Low139 Ų13981.6 Ų81.653%0.52541%0.412SS..Hα-helixtrans-62.3-28.1174.2-82.5175.5171.6175.7-3.2114.3G182 N183 S184 T189G182-R186 WeakPolarHBondContact O-CG 3.41Å; G182-R186 PolarHBondContact O-N 2.81Å; G182-R186 VanDerWaalsContact O-N 3.11Å; N183-R186 PolarHBondContact O-N 3.35Å; S184-R186 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 2.95Å; R186-T189 WeakPolarHBondContact CA-OG1 3.43Å; R186-T189 PolarHBondContact O-OG1 3.31Å; R186-T189 VanDerWaalsContact O-OG1 3.09Å
187R53.2Low57.8Low151 Ų15177.1 Ų77.157%0.5739%0.39SS*.Hα-helixtrans-83.7-44.2173.4-75.1-176.9173.2178.9-1.8111.7N183 S184 L185 T189 N190N183-R187 PolarHBondContact O-N 3.49Å; N183-R187 VanDerWaalsContact O-N 3.09Å; S184-R187 PolarHBondContact O-N 3.01Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.31Å; R187-T189 VanDerWaalsContact C-N 3.32Å; R187-T189 PolarHBondContact O-N 2.96Å; R187-N190 WeakPolarHBondContact O-CB 3.33Å; R187-N190 PolarHBondContact O-N 2.91Å
188L54.3Low60Low102 Ų10272.4 Ų72.453%0.53437%0.369SS..Hα-helixtrans-68.2-30.4-177.7-164.8141.7000112S184 L185 N190 F191 V192S184-L188 WeakPolarHBondContact O-CB 3.3Å; S184-L188 PolarHBondContact O-N 3.48Å; L185-L188 PolarHBondContact O-N 3.33Å; L188-N190 PolarHBondContact O-N 2.75Å; L188-F191 PolarHBondContact O-N 3.29Å; L188-V192 HydrophobicContact CD2-CG2 3.59Å; L188-V192 WeakPolarHBondContact O-CG2 3.39Å; L188-V192 PolarHBondContact O-N 3.11Å
189T62.8Low62.2Low42 Ų4267.9 Ų67.926%0.25835%0.352SS..Hα-helixtrans-59-27.4171.841.50000113.8L185 R186 R187 L193L185-T189 VanDerWaalsContact O-CB 3.3Å; L185-T189 WeakPolarHBondContact O-CB 3.49Å; L185-T189 WeakPolarHBondContact O-CG2 3.5Å; L185-T189 PolarHBondContact O-N 3.46Å; L185-T189 PolarHBondContact O-OG1 2.98Å; R186-T189 WeakPolarHBondContact CA-OG1 3.43Å; R186-T189 PolarHBondContact O-OG1 3.31Å; R186-T189 VanDerWaalsContact O-OG1 3.09Å; R187-T189 VanDerWaalsContact C-N 3.32Å; R187-T189 PolarHBondContact O-N 2.96Å; T189-L193 VanDerWaalsContact O-CB 3.28Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 PolarHBondContact O-N 3.16Å
190N66.1Low64.2Low59 Ų5964.9 Ų64.932%0.31633%0.331SS..Hα-helixtrans-67.8-41.4171.6-73.4-47.8000111.9R187 L188 L193 F194 Q326R187-N190 WeakPolarHBondContact O-CB 3.33Å; R187-N190 PolarHBondContact O-N 2.91Å; L188-N190 PolarHBondContact O-N 2.75Å; N190-L193 PolarHBondContact O-N 2.93Å; N190-F194 PolarHBondContact O-N 2.95Å; N190-F194 VanDerWaalsContact O-N 3.09Å; N190-Q326 PolarHBondContact OD1-NE2 2.85Å
191F67.9Low66.4Low125 Ų12562.5 Ų62.555%0.54831%0.311SS..Hα-helixtrans-71.1-40.5179177.6-104.2000111.5L188 F194 L195L188-F191 PolarHBondContact O-N 3.29Å; F191-F194 WeakPolarHBondContact O-CB 3.08Å; F191-F194 PolarHBondContact O-N 2.77Å; F191-L195 HydrophobicContact CD1-CD1 4.1Å; F191-L195 HydrophobicContact CE1-CD1 3.46Å; F191-L195 VanDerWaalsContact CE1-CD1 3.46Å; F191-L195 HydrophobicContact CE1-CG 4.24Å; F191-L195 HydrophobicContact CE2-CD1 4.49Å; F191-L195 HydrophobicContact CZ-CD1 3.69Å; F191-L195 HydrophobicContact CZ-CG 4.16Å; F191-L195 PolarHBondContact O-N 3.41Å
192V68.6Low68.6Low62 Ų6259.8 Ų59.838%0.37630%0.297SS..Hα-helixtrans-60.7-44171.1172.10000110.7L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 3.59Å; L188-V192 WeakPolarHBondContact O-CG2 3.39Å; L188-V192 PolarHBondContact O-N 3.11Å; V192-F194 VanDerWaalsContact C-N 3.3Å; V192-F194 PolarHBondContact O-N 3.42Å; V192-L195 PolarHBondContact O-N 2.8Å; V192-F196 VanDerWaalsContact O-CB 3.22Å; V192-F196 WeakPolarHBondContact O-CB 3.32Å; V192-F196 PolarHBondContact O-N 3.13Å
193L74.7Confident70.6Confident11 Ų1158.5 Ų58.56%0.05828%0.284CS..Hα-helixtrans-60.3-39.6176.9-155.782.5000112.1T189 N190 T197 L322 T323T189-L193 VanDerWaalsContact O-CB 3.28Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 PolarHBondContact O-N 3.16Å; N190-L193 PolarHBondContact O-N 2.93Å; L193-T197 PolarHBondContact O-N 3.24Å; L193-T197 PolarHBondContact O-OG1 3.39Å; L193-L322 HydrophobicContact CD1-CB 4.32Å; L193-T323 HydrophobicContact CD1-CG2 3.83Å; L193-T323 HydrophobicContact CD2-CG2 4.31Å; L193-T323 HydrophobicContact CG-CG2 4.4Å
194F78.4Confident72.3Confident43 Ų4356 Ų5619%0.18927%0.269CS..Hα-helixtrans-62.6-52.2175.4167.9-103.2000112.2N190 F191 V192 F196 T197 A198 F216 I219 S220N190-F194 PolarHBondContact O-N 2.95Å; N190-F194 VanDerWaalsContact O-N 3.09Å; F191-F194 WeakPolarHBondContact O-CB 3.08Å; F191-F194 PolarHBondContact O-N 2.77Å; V192-F194 VanDerWaalsContact C-N 3.3Å; V192-F194 PolarHBondContact O-N 3.42Å; F194-F196 VanDerWaalsContact C-N 3.32Å; F194-F196 PolarHBondContact O-N 3.43Å; F194-T197 WeakPolarHBondContact O-CB 3.28Å; F194-T197 PolarHBondContact O-N 3.29Å; F194-T197 VanDerWaalsContact O-N 3.14Å; F194-A198 PolarHBondContact O-N 3.27Å; F194-F216 HydrophobicContact CD2-CD2 4.33Å; F194-F216 HydrophobicContact CE1-CE2 4.08Å; F194-F216 AromaticContact CE2-CD2 3.71Å; F194-F216 HydrophobicContact CE2-CD2 3.71Å; F194-F216 AromaticContact CE2-CE2 3.86Å; F194-F216 HydrophobicContact CE2-CE2 3.86Å; F194-F216 AromaticContact CZ-CD2 3.87Å; F194-F216 HydrophobicContact CZ-CD2 3.87Å; F194-F216 AromaticContact CZ-CE2 3.5Å; F194-F216 HydrophobicContact CZ-CE2 3.5Å; F194-I219 HydrophobicContact CD2-CB 4.4Å; F194-I219 HydrophobicContact CD2-CG2 3.69Å; F194-I219 HydrophobicContact CE2-CB 4.27Å; F194-I219 HydrophobicContact CE2-CG2 3.77Å; F194-S220 WeakPolarHBondContact CE2-OG 3.37Å; F194-S220 VanDerWaalsContact CZ-OG 3.3Å; F194-S220 WeakPolarHBondContact CZ-OG 3.47Å
195L75.8Confident74.2Confident80 Ų8054 Ų5442%0.41925%0.254SS..Hα-helixtrans-61.9-39.4176.2-69.8178.6000112.3F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 4.1Å; F191-L195 HydrophobicContact CE1-CD1 3.46Å; F191-L195 VanDerWaalsContact CE1-CD1 3.46Å; F191-L195 HydrophobicContact CE1-CG 4.24Å; F191-L195 HydrophobicContact CE2-CD1 4.49Å; F191-L195 HydrophobicContact CZ-CD1 3.69Å; F191-L195 HydrophobicContact CZ-CG 4.16Å; F191-L195 PolarHBondContact O-N 3.41Å; V192-L195 PolarHBondContact O-N 2.8Å; L195-T197 PolarHBondContact O-N 3.31Å; L195-A198 WeakPolarHBondContact O-CB 3.41Å; L195-A198 PolarHBondContact O-N 2.95Å; L195-Y199 PolarHBondContact O-N 3.4Å
196F83.9Confident76Confident44 Ų4449.4 Ų49.419%0.19323%0.231CC..Hα-helixtrans-67.8-26.3178.2-151.2-121.2000112V192 F194 Y199 V200 V315 V318 F319 L322V192-F196 VanDerWaalsContact O-CB 3.22Å; V192-F196 WeakPolarHBondContact O-CB 3.32Å; V192-F196 PolarHBondContact O-N 3.13Å; F194-F196 VanDerWaalsContact C-N 3.32Å; F194-F196 PolarHBondContact O-N 3.43Å; F196-Y199 HydrophobicContact CD2-CD1 4.14Å; F196-Y199 AromaticContact CE2-CD1 3.89Å; F196-Y199 HydrophobicContact CE2-CD1 3.89Å; F196-Y199 HydrophobicContact CE2-CE1 4.39Å; F196-Y199 PolarHBondContact O-N 3.29Å; F196-V200 HydrophobicContact CD1-CG2 4.39Å; F196-V200 WeakPolarHBondContact O-CG2 3.14Å; F196-V200 PolarHBondContact O-N 3.13Å; F196-V315 HydrophobicContact CZ-CG1 4.23Å; F196-V318 HydrophobicContact CE1-CB 4.27Å; F196-V318 HydrophobicContact CE1-CG1 3.85Å; F196-V318 HydrophobicContact CZ-CB 4.31Å; F196-V318 HydrophobicContact CZ-CG1 3.85Å; F196-F319 HydrophobicContact CD1-CB 4.22Å; F196-F319 HydrophobicContact CD1-CD2 4.06Å; F196-F319 HydrophobicContact CE1-CB 4.05Å; F196-L322 HydrophobicContact CD1-CD1 4.09Å; F196-L322 HydrophobicContact CE1-CD1 4.11Å
197T87.4Confident77.5Confident7 Ų746.3 Ų46.34%0.04322%0.224CC..Hα-helixtrans-69.4-39.2173-53.30000111.3L193 F194 L195 G201 A215 F216L193-T197 PolarHBondContact O-N 3.24Å; L193-T197 PolarHBondContact O-OG1 3.39Å; F194-T197 WeakPolarHBondContact O-CB 3.28Å; F194-T197 PolarHBondContact O-N 3.29Å; F194-T197 VanDerWaalsContact O-N 3.14Å; L195-T197 PolarHBondContact O-N 3.31Å; T197-G201 PolarHBondContact O-N 3.26Å; T197-A215 HydrophobicContact CG2-CB 4.44Å; T197-F216 HydrophobicContact CG2-CB 4.49Å
198A84Confident79Confident12 Ų1239.4 Ų39.410%0.09920%0.199CC..Hα-helixtrans-62.3-45.2171.100000111.4F194 L195 G201 I202 F216F194-A198 PolarHBondContact O-N 3.27Å; L195-A198 WeakPolarHBondContact O-CB 3.41Å; L195-A198 PolarHBondContact O-N 2.95Å; A198-G201 PolarHBondContact O-N 2.87Å; A198-I202 WeakPolarHBondContact O-CG1 3.31Å; A198-I202 PolarHBondContact O-N 3Å; A198-I202 VanDerWaalsContact O-N 3.11Å; A198-F216 HydrophobicContact CB-CB 4.31Å; A198-F216 HydrophobicContact CB-CD1 4.03Å; A198-F216 HydrophobicContact CB-CD2 3.53Å; A198-F216 HydrophobicContact CB-CE1 4.23Å; A198-F216 HydrophobicContact CB-CE2 3.74Å; A198-F216 HydrophobicContact CB-CG 3.66Å; A198-F216 HydrophobicContact CB-CZ 4.09Å
199Y87Confident80.6Confident94 Ų9434.6 Ų34.637%0.36917%0.173SC..Hα-helixtrans-60.4-48.1179.2-174.7-111.8000112.6L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 3.4Å; F196-Y199 HydrophobicContact CD2-CD1 4.14Å; F196-Y199 AromaticContact CE2-CD1 3.89Å; F196-Y199 HydrophobicContact CE2-CD1 3.89Å; F196-Y199 HydrophobicContact CE2-CE1 4.39Å; F196-Y199 PolarHBondContact O-N 3.29Å; Y199-G201 PolarHBondContact O-N 2.92Å; Y199-I202 PolarHBondContact O-N 3.28Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; Y199-V203 HydrophobicContact CD1-CG2 4Å; Y199-V203 HydrophobicContact CD2-CG2 4.06Å; Y199-V203 HydrophobicContact CE1-CG2 3.65Å; Y199-V203 HydrophobicContact CE2-CG2 3.7Å; Y199-V203 HydrophobicContact CG-CG2 4.19Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.48Å; Y199-V203 VanDerWaalsContact O-CG2 3.3Å; Y199-V203 WeakPolarHBondContact O-CG2 3.46Å; Y199-V203 PolarHBondContact O-N 2.9Å; Y199-V315 HydrophobicContact CD1-CG1 4Å; Y199-V315 HydrophobicContact CD1-CG2 4.46Å; Y199-V315 HydrophobicContact CE1-CG1 4.13Å; Y199-V315 HydrophobicContact CE1-CG2 3.76Å
200V87.6Confident81.8Confident0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-58.9-35.1176.6-174.10000111.2F196 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 4.39Å; F196-V200 WeakPolarHBondContact O-CG2 3.14Å; F196-V200 PolarHBondContact O-N 3.13Å; V200-Y212 HydrophobicContact CB-CD2 4.23Å; V200-Y212 HydrophobicContact CB-CG 4.23Å; V200-Y212 HydrophobicContact CG1-CD1 4.3Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE1 4.44Å; V200-Y212 HydrophobicContact CG1-CE2 3.57Å; V200-Y212 HydrophobicContact CG1-CG 3.8Å; V200-V315 HydrophobicContact CB-CG1 4.19Å; V200-V315 HydrophobicContact CG1-CG1 4.36Å; V200-V315 HydrophobicContact CG2-CG1 3.54Å; V200-V316 HydrophobicContact CG1-CG2 4.33Å; V200-F319 HydrophobicContact CG2-CB 4.16Å; V200-F319 HydrophobicContact CG2-CD2 3.9Å; V200-F319 HydrophobicContact CG2-CG 4.17Å
201G85.6Confident82.9Confident0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-70.4-30.6176.800000115.1T197 A198 Y199T197-G201 PolarHBondContact O-N 3.26Å; A198-G201 PolarHBondContact O-N 2.87Å; Y199-G201 PolarHBondContact O-N 2.92Å
202I88Confident84Confident12 Ų1227.5 Ų27.56%0.06214%0.14CC..Hα-helixtrans-93.2-31.2-174.5-63.9163.4000112.5A198 Y199 K204 F213 V554 L557 T561A198-I202 WeakPolarHBondContact O-CG1 3.31Å; A198-I202 PolarHBondContact O-N 3Å; A198-I202 VanDerWaalsContact O-N 3.11Å; Y199-I202 PolarHBondContact O-N 3.28Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; I202-K204 VanDerWaalsContact C-N 3.26Å; I202-K204 PolarHBondContact O-N 3.46Å; I202-K204 VanDerWaalsContact O-N 3.09Å; I202-F213 HydrophobicContact CG1-CD2 4.19Å; I202-F213 HydrophobicContact CG1-CE2 4.25Å; I202-V554 HydrophobicContact CG2-CG1 4.35Å; I202-V554 WeakPolarHBondContact O-CG2 2.98Å; I202-L557 HydrophobicContact CG1-CB 4.48Å; I202-L557 HydrophobicContact CG2-CB 3.85Å; I202-L557 HydrophobicContact CG2-CD1 4.34Å; I202-T561 HydrophobicContact CD1-CG2 4.28Å
203V84.5Confident84.9Confident2 Ų224.7 Ų24.71%0.01212%0.123CC..SBendtrans-51.4-38.3-172.9159.30000114.1Y199 P308 A311 N312Y199-V203 HydrophobicContact CD1-CG2 4Å; Y199-V203 HydrophobicContact CD2-CG2 4.06Å; Y199-V203 HydrophobicContact CE1-CG2 3.65Å; Y199-V203 HydrophobicContact CE2-CG2 3.7Å; Y199-V203 HydrophobicContact CG-CG2 4.19Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.48Å; Y199-V203 VanDerWaalsContact O-CG2 3.3Å; Y199-V203 WeakPolarHBondContact O-CG2 3.46Å; Y199-V203 PolarHBondContact O-N 2.9Å; V203-P308 HydrophobicContact CG1-CB 4.48Å; V203-P308 WeakPolarHBondContact O-CB 3.31Å; V203-A311 HydrophobicContact CG1-CB 4.43Å; V203-N312 HydrophobicContact CG1-CB 4.34Å
204K83.7Confident85.5Confident33 Ų3329 Ų2914%0.14315%0.146CC..SBendtrans-144.8106170.9176.4163.9178.5167.20108.7I202 S206 N209 G276I202-K204 VanDerWaalsContact C-N 3.26Å; I202-K204 PolarHBondContact O-N 3.46Å; I202-K204 VanDerWaalsContact O-N 3.09Å; K204-S206 PolarHBondContact O-N 3.27Å; K204-S206 VanDerWaalsContact O-N 3.12Å; K204-N209 VanDerWaalsContact O-CB 3.32Å; K204-N209 WeakPolarHBondContact O-CB 3.48Å; K204-N209 PolarHBondContact O-ND2 3.21Å; K204-G276 PolarHBondContact NZ-O 2.96Å
205P82.8Confident85.9Confident18 Ų1827.9 Ų27.912%0.11715%0.145CC..  trans-63.8113.9178.625-33000109.9Y523 S526 M527 A553P205-Y523 HydrophobicContact CB-CE2 4.17Å; P205-S526 WeakPolarHBondContact CG-O 3.47Å; P205-M527 HydrophobicContact CB-CG 4.42Å; P205-A553 HydrophobicContact CG-CB 4.36Å
206S84.3Confident86.5Confident2 Ų224.5 Ų24.51%0.01413%0.126CC..SBendtrans-152.3169.9-178.570.30000110.5K204 S208 N209 S210 Y523K204-S206 PolarHBondContact O-N 3.27Å; K204-S206 VanDerWaalsContact O-N 3.12Å; S206-S208 PolarHBondContact O-N 3.45Å; S206-S208 PolarHBondContact OG-N 3.23Å; S206-S208 PolarHBondContact OG-OG 3.28Å; S206-N209 PolarHBondContact O-N 3.32Å; S206-N209 WeakPolarHBondContact OG-CB 3.47Å; S206-N209 PolarHBondContact OG-N 3.31Å; S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 3.38Å; S206-Y523 PolarHBondContact N-OH 3.47Å; S206-Y523 PolarHBondContact O-OH 3.05Å
207L86Confident86.6Confident74 Ų7423 Ų2339%0.38712%0.121SC..THydrogen-bonded Turntrans-67.2-25.7172.8-172.363.6000112.8S210 L274 F275L207-S210 PolarHBondContact O-OG 3.45Å; L207-L274 HydrophobicContact CB-CD1 4.27Å; L207-L274 HydrophobicContact CB-CG 4.13Å; L207-L274 VanDerWaalsContact CB-O 3.26Å; L207-L274 WeakPolarHBondContact CB-O 3.29Å; L207-L274 HydrophobicContact CD2-CD1 4.27Å; L207-L274 HydrophobicContact CD2-CD2 3.82Å; L207-L274 HydrophobicContact CD2-CG 3.83Å; L207-L274 PolarHBondContact N-O 3.34Å; L207-F275 HydrophobicContact CD2-CD1 4.46Å; L207-F275 HydrophobicContact CD2-CE1 4.01Å; L207-F275 HydrophobicContact CD2-CZ 4.26Å
208S86Confident86.4Confident6 Ų627.9 Ų27.94%0.04214%0.141CC..THydrogen-bonded Turntrans-76.4-42.117547.50000112.1S206 Y244 F275S206-S208 PolarHBondContact O-N 3.45Å; S206-S208 PolarHBondContact OG-N 3.23Å; S206-S208 PolarHBondContact OG-OG 3.28Å; S208-Y244 WeakPolarHBondContact CA-OH 3.38Å; S208-Y244 PolarHBondContact O-OH 3.49Å; S208-Y244 VanDerWaalsContact O-OH 3.12Å; S208-F275 PolarHBondContact OG-O 3.01Å
209N88.5Confident86.4Confident0 Ų029 Ų290%015%0.145CC..THydrogen-bonded Turntrans-80.7-20.6-179.4-76.7-21.7000113.7K204 S206 I211 Y212 F213 H248 N312K204-N209 VanDerWaalsContact O-CB 3.32Å; K204-N209 WeakPolarHBondContact O-CB 3.48Å; K204-N209 PolarHBondContact O-ND2 3.21Å; S206-N209 PolarHBondContact O-N 3.32Å; S206-N209 WeakPolarHBondContact OG-CB 3.47Å; S206-N209 PolarHBondContact OG-N 3.31Å; N209-I211 PolarHBondContact O-N 3.06Å; N209-I211 VanDerWaalsContact O-N 3.15Å; N209-Y212 HydrophobicContact CB-CD2 4.41Å; N209-Y212 PolarHBondContact O-N 3.03Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.45Å; N209-F213 PolarHBondContact O-N 3.42Å; N209-H248 PolarHBondContact OD1-CE1 3.26Å; N209-N312 PolarHBondContact ND2-OD1 2.87Å; N209-N312 VanDerWaalsContact ND2-OD1 3.14Å
210S87Confident86.1Confident18 Ų1824.7 Ų24.713%0.12613%0.129CC..Hα-helixtrans-58.5-28.5175.571.80000112.6S206 L207 Y212 F213 L214 Y523S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 3.38Å; L207-S210 PolarHBondContact O-OG 3.45Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.06Å; S210-F213 PolarHBondContact O-N 2.93Å; S210-L214 VanDerWaalsContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CB 3.47Å; S210-L214 VanDerWaalsContact O-CG 3.28Å; S210-L214 WeakPolarHBondContact O-CG 3.46Å; S210-L214 PolarHBondContact O-N 3.21Å; S210-Y523 WeakPolarHBondContact CA-OH 3.46Å; S210-Y523 PolarHBondContact N-OH 3.44Å; S210-Y523 VanDerWaalsContact N-OH 3.15Å
211I89.4Confident85.9Confident59 Ų5926.6 Ų26.630%0.30314%0.141SC..Hα-helixtrans-62.6-36175.3-67.8174.8000111.3N209 A215 F240 Y244N209-I211 PolarHBondContact O-N 3.06Å; N209-I211 VanDerWaalsContact O-N 3.15Å; I211-A215 VanDerWaalsContact O-CB 3.28Å; I211-A215 WeakPolarHBondContact O-CB 3.32Å; I211-A215 PolarHBondContact O-N 3.48Å; I211-A215 VanDerWaalsContact O-N 3.15Å; I211-F240 HydrophobicContact CG2-CE1 4.13Å; I211-Y244 HydrophobicContact CB-CE1 4.26Å; I211-Y244 HydrophobicContact CD1-CE1 4.28Å; I211-Y244 HydrophobicContact CD1-CE2 3.89Å; I211-Y244 HydrophobicContact CG2-CD1 4.3Å; I211-Y244 HydrophobicContact CG2-CE1 4.21Å
212Y90.6Very high85.8Confident0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-75.4-39.4174.3-51-68.9000111.6V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.23Å; V200-Y212 HydrophobicContact CB-CG 4.23Å; V200-Y212 HydrophobicContact CG1-CD1 4.3Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE1 4.44Å; V200-Y212 HydrophobicContact CG1-CE2 3.57Å; V200-Y212 HydrophobicContact CG1-CG 3.8Å; N209-Y212 HydrophobicContact CB-CD2 4.41Å; N209-Y212 PolarHBondContact O-N 3.03Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.45Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.06Å; Y212-A215 PolarHBondContact O-N 3.37Å; Y212-F216 PolarHBondContact O-N 3.22Å; Y212-L241 HydrophobicContact CD1-CD2 3.9Å; Y212-L241 HydrophobicContact CE1-CD2 4.09Å; Y212-Y244 AromaticContact CE1-CD1 3.85Å; Y212-Y244 HydrophobicContact CE1-CD1 3.85Å; Y212-Y244 HydrophobicContact CE1-CE1 4.18Å; Y212-Y244 HydrophobicContact CE2-CD1 4.48Å; Y212-Y244 HydrophobicContact CE2-CE1 4.02Å; Y212-Y244 AromaticContact CZ-CD1 3.67Å; Y212-Y244 AromaticContact CZ-CE1 3.64Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.44Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.42Å; Y212-H248 AromaticContact CE2-ND1 3.77Å; Y212-H248 AromaticContact CZ-ND1 3.95Å; Y212-H248 PolarHBondContact OH-ND1 3.36Å; Y212-F319 HydrophobicContact CD1-CE1 4.41Å; Y212-F319 HydrophobicContact CD1-CZ 4.38Å; Y212-F319 HydrophobicContact CE1-CD1 4.48Å; Y212-F319 AromaticContact CE1-CE1 3.97Å; Y212-F319 HydrophobicContact CE1-CE1 3.97Å; Y212-F319 HydrophobicContact CE1-CZ 4.4Å
213F88.1Confident85.5Confident4 Ų436.5 Ų36.52%0.01818%0.177CC..Hα-helixtrans-65.6-44.6177.9-172.7-112.9000112.5I202 N209 S210 A215 F216 L217 Y523 T561I202-F213 HydrophobicContact CG1-CD2 4.19Å; I202-F213 HydrophobicContact CG1-CE2 4.25Å; N209-F213 PolarHBondContact O-N 3.42Å; S210-F213 PolarHBondContact O-N 2.93Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 3.16Å; F213-F216 HydrophobicContact CD2-CD1 4.4Å; F213-F216 HydrophobicContact CE2-CD1 4.43Å; F213-F216 WeakPolarHBondContact O-CB 3.4Å; F213-F216 PolarHBondContact O-N 3.36Å; F213-F216 VanDerWaalsContact O-N 3.17Å; F213-L217 HydrophobicContact CD1-CD1 4.06Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.29Å; F213-L217 HydrophobicContact CZ-CD1 4.14Å; F213-L217 HydrophobicContact CZ-CG 4.39Å; F213-L217 PolarHBondContact O-N 3.49Å; F213-Y523 HydrophobicContact CB-CE2 4.1Å; F213-Y523 AromaticContact CD1-CD2 3.63Å; F213-Y523 HydrophobicContact CD1-CD2 3.63Å; F213-Y523 AromaticContact CD1-CE2 3.96Å; F213-Y523 HydrophobicContact CD1-CE2 3.96Å; F213-Y523 HydrophobicContact CD1-CG 4.06Å; F213-Y523 HydrophobicContact CD2-CD2 4.46Å; F213-Y523 AromaticContact CE1-CD2 3.77Å; F213-Y523 HydrophobicContact CE1-CD2 3.77Å; F213-Y523 HydrophobicContact CE1-CG 4.05Å; F213-Y523 AromaticContact CG-CD2 4Å; F213-Y523 HydrophobicContact CG-CD2 4Å; F213-Y523 AromaticContact CG-CE2 3.96Å; F213-Y523 HydrophobicContact CG-CE2 3.96Å; F213-Y523 HydrophobicContact CZ-CD2 4.26Å; F213-T561 HydrophobicContact CE2-CG2 4.26Å
214L87.9Confident85.3Confident101 Ų10136.4 Ų36.453%0.52918%0.177SC..Hα-helixtrans-64.4-37.4173.6-70.5171000111.9S210 F216 L217 F218S210-L214 VanDerWaalsContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CB 3.47Å; S210-L214 VanDerWaalsContact O-CG 3.28Å; S210-L214 WeakPolarHBondContact O-CG 3.46Å; S210-L214 PolarHBondContact O-N 3.21Å; L214-F216 VanDerWaalsContact C-N 3.34Å; L214-L217 PolarHBondContact O-N 3.35Å; L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 2.89Å
215A86.3Confident85.1Confident20 Ų2037 Ų3717%0.16518%0.183CC..Hα-helixtrans-64-39.1172.100000112T197 I211 Y212 F213 I219T197-A215 HydrophobicContact CG2-CB 4.44Å; I211-A215 VanDerWaalsContact O-CB 3.28Å; I211-A215 WeakPolarHBondContact O-CB 3.32Å; I211-A215 PolarHBondContact O-N 3.48Å; I211-A215 VanDerWaalsContact O-N 3.15Å; Y212-A215 PolarHBondContact O-N 3.37Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 3.16Å; A215-I219 WeakPolarHBondContact O-CB 3.4Å; A215-I219 WeakPolarHBondContact O-CD1 3.47Å; A215-I219 WeakPolarHBondContact O-CG1 3.35Å; A215-I219 PolarHBondContact O-N 3.01Å
216F88.1Confident84.7Confident8 Ų839.8 Ų39.84%0.03519%0.192CC..Hα-helixtrans-64.2-48.6174162-104.9000112.3F194 T197 A198 Y212 F213 L214 I219 S220F194-F216 HydrophobicContact CD2-CD2 4.33Å; F194-F216 HydrophobicContact CE1-CE2 4.08Å; F194-F216 AromaticContact CE2-CD2 3.71Å; F194-F216 HydrophobicContact CE2-CD2 3.71Å; F194-F216 AromaticContact CE2-CE2 3.86Å; F194-F216 HydrophobicContact CE2-CE2 3.86Å; F194-F216 AromaticContact CZ-CD2 3.87Å; F194-F216 HydrophobicContact CZ-CD2 3.87Å; F194-F216 AromaticContact CZ-CE2 3.5Å; F194-F216 HydrophobicContact CZ-CE2 3.5Å; T197-F216 HydrophobicContact CG2-CB 4.49Å; A198-F216 HydrophobicContact CB-CB 4.31Å; A198-F216 HydrophobicContact CB-CD1 4.03Å; A198-F216 HydrophobicContact CB-CD2 3.53Å; A198-F216 HydrophobicContact CB-CE1 4.23Å; A198-F216 HydrophobicContact CB-CE2 3.74Å; A198-F216 HydrophobicContact CB-CG 3.66Å; A198-F216 HydrophobicContact CB-CZ 4.09Å; Y212-F216 PolarHBondContact O-N 3.22Å; F213-F216 HydrophobicContact CD2-CD1 4.4Å; F213-F216 HydrophobicContact CE2-CD1 4.43Å; F213-F216 WeakPolarHBondContact O-CB 3.4Å; F213-F216 PolarHBondContact O-N 3.36Å; F213-F216 VanDerWaalsContact O-N 3.17Å; L214-F216 VanDerWaalsContact C-N 3.34Å; F216-I219 PolarHBondContact O-N 3.36Å; F216-S220 VanDerWaalsContact CE2-OG 3.31Å; F216-S220 WeakPolarHBondContact CE2-OG 3.36Å; F216-S220 WeakPolarHBondContact O-CB 3.4Å; F216-S220 PolarHBondContact O-N 3.41Å; F216-S220 PolarHBondContact O-OG 3.48Å
217L85.2Confident83.9Confident13 Ų1342.7 Ų42.77%0.06821%0.21CC..Hα-helixtrans-59.3-51.3176.1-71178000110.4F213 L214 I219 S220 T221 L519 I520F213-L217 HydrophobicContact CD1-CD1 4.06Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.29Å; F213-L217 HydrophobicContact CZ-CD1 4.14Å; F213-L217 HydrophobicContact CZ-CG 4.39Å; F213-L217 PolarHBondContact O-N 3.49Å; L214-L217 PolarHBondContact O-N 3.35Å; L217-I219 VanDerWaalsContact C-N 3.33Å; L217-I219 PolarHBondContact O-N 3.48Å; L217-S220 WeakPolarHBondContact O-CA 3.23Å; L217-S220 WeakPolarHBondContact O-CB 3.37Å; L217-S220 PolarHBondContact O-N 3.09Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 2.75Å; L217-L519 HydrophobicContact CD2-CD1 4.5Å; L217-I520 HydrophobicContact CD1-CG1 4.25Å
218F84.7Confident82.7Confident110 Ų11042 Ų4248%0.48221%0.21SC..Hα-helixtrans-54.8-44.8178.1-179.4-99.9000113L214 W222L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 2.89Å; F218-W222 HydrophobicContact CE1-CE3 4.11Å; F218-W222 HydrophobicContact CE2-CE3 4.04Å; F218-W222 HydrophobicContact CE2-CZ3 4.25Å; F218-W222 AromaticContact CZ-CE3 3.57Å; F218-W222 HydrophobicContact CZ-CE3 3.57Å; F218-W222 AromaticContact CZ-CZ3 3.71Å; F218-W222 HydrophobicContact CZ-CZ3 3.71Å; F218-W222 VanDerWaalsContact O-CB 3.23Å; F218-W222 WeakPolarHBondContact O-CB 3.33Å; F218-W222 PolarHBondContact O-N 3.19Å
219I82.3Confident81.5Confident34 Ų3443.9 Ų43.917%0.17422%0.219CC..Hα-helixtrans-68.1-36.4177.1-66.5165000111.4F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.4Å; F194-I219 HydrophobicContact CD2-CG2 3.69Å; F194-I219 HydrophobicContact CE2-CB 4.27Å; F194-I219 HydrophobicContact CE2-CG2 3.77Å; A215-I219 WeakPolarHBondContact O-CB 3.4Å; A215-I219 WeakPolarHBondContact O-CD1 3.47Å; A215-I219 WeakPolarHBondContact O-CG1 3.35Å; A215-I219 PolarHBondContact O-N 3.01Å; F216-I219 PolarHBondContact O-N 3.36Å; L217-I219 VanDerWaalsContact C-N 3.33Å; L217-I219 PolarHBondContact O-N 3.48Å; I219-W223 VanDerWaalsContact O-CB 3.32Å; I219-W223 WeakPolarHBondContact O-CB 3.23Å; I219-W223 PolarHBondContact O-N 2.98Å
220S80.5Confident80.4Confident4 Ų453.3 Ų53.33%0.02826%0.255CS..Hα-helixtrans-69.6-47.9179.2-590000112.2F194 F216 L217 W222 W223 S224F194-S220 WeakPolarHBondContact CE2-OG 3.37Å; F194-S220 VanDerWaalsContact CZ-OG 3.3Å; F194-S220 WeakPolarHBondContact CZ-OG 3.47Å; F216-S220 VanDerWaalsContact CE2-OG 3.31Å; F216-S220 WeakPolarHBondContact CE2-OG 3.36Å; F216-S220 WeakPolarHBondContact O-CB 3.4Å; F216-S220 PolarHBondContact O-N 3.41Å; F216-S220 PolarHBondContact O-OG 3.48Å; L217-S220 WeakPolarHBondContact O-CA 3.23Å; L217-S220 WeakPolarHBondContact O-CB 3.37Å; L217-S220 PolarHBondContact O-N 3.09Å; S220-W222 VanDerWaalsContact C-N 3.34Å; S220-W222 PolarHBondContact O-N 3.29Å; S220-W223 WeakPolarHBondContact O-CB 3.29Å; S220-W223 PolarHBondContact O-N 3.07Å; S220-W223 VanDerWaalsContact O-N 3.16Å; S220-S224 PolarHBondContact O-N 2.98Å
221T84.7Confident79.2Confident41 Ų4157.3 Ų57.325%0.25227%0.271SS..Hα-helixtrans-61.8-43.4175.3-44.50000109.7L217 W223 S224 T225 E516L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 2.75Å; T221-W223 VanDerWaalsContact C-N 3.32Å; T221-W223 PolarHBondContact O-N 3.32Å; T221-S224 WeakPolarHBondContact O-CB 3.24Å; T221-S224 PolarHBondContact O-N 3.49Å; T221-S224 VanDerWaalsContact O-N 3.08Å; T221-S224 PolarHBondContact O-OG 3.16Å; T221-T225 WeakPolarHBondContact O-CG2 3.3Å; T221-T225 PolarHBondContact O-N 3.2Å; T221-T225 PolarHBondContact O-OG1 3.47Å; T221-E516 PolarHBondContact OG1-OE1 3.38Å
222W83.3Confident78.1Confident99 Ų9956.8 Ų56.838%0.37528%0.281SS..Hα-helixtrans-63.5-32.9174.3-161.2-69000113.8F218 S220 T225 T227 L229F218-W222 HydrophobicContact CE1-CE3 4.11Å; F218-W222 HydrophobicContact CE2-CE3 4.04Å; F218-W222 HydrophobicContact CE2-CZ3 4.25Å; F218-W222 AromaticContact CZ-CE3 3.57Å; F218-W222 HydrophobicContact CZ-CE3 3.57Å; F218-W222 AromaticContact CZ-CZ3 3.71Å; F218-W222 HydrophobicContact CZ-CZ3 3.71Å; F218-W222 VanDerWaalsContact O-CB 3.23Å; F218-W222 WeakPolarHBondContact O-CB 3.33Å; F218-W222 PolarHBondContact O-N 3.19Å; S220-W222 VanDerWaalsContact C-N 3.34Å; S220-W222 PolarHBondContact O-N 3.29Å; W222-T225 WeakPolarHBondContact CA-OG1 3.47Å; W222-T225 PolarHBondContact O-OG1 3.26Å; W222-T227 VanDerWaalsContact CD1-O 3.3Å; W222-T227 PolarHBondContact NE1-O 3.11Å; W222-T227 PolarHBondContact NE1-OG1 3.25Å; W222-T227 PolarHBondContact O-OG1 3.49Å; W222-L229 HydrophobicContact CB-CD1 4.48Å; W222-L229 HydrophobicContact CD2-CD1 4.19Å; W222-L229 HydrophobicContact CG-CD1 3.88Å
223W81.2Confident77.3Confident120 Ų12059.8 Ų59.846%0.45530%0.298SS..Hα-helixtrans-71.2-34172.8179.595.1000111.7I219 S220 T221 R572I219-W223 VanDerWaalsContact O-CB 3.32Å; I219-W223 WeakPolarHBondContact O-CB 3.23Å; I219-W223 PolarHBondContact O-N 2.98Å; S220-W223 WeakPolarHBondContact O-CB 3.29Å; S220-W223 PolarHBondContact O-N 3.07Å; S220-W223 VanDerWaalsContact O-N 3.16Å; T221-W223 VanDerWaalsContact C-N 3.32Å; T221-W223 PolarHBondContact O-N 3.32Å; W223-R572 VanDerWaalsContact CE2-NH1 3.34Å; W223-R572 VanDerWaalsContact CH2-CD 3.41Å; W223-R572 HydrophobicContact CZ3-CB 4.4Å; W223-R572 PolarHBondContact O-NH1 3.02Å
224S80.2Confident76.5Confident0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-71.5-32176.882.60000113.3S220 T221 Y226 R572S220-S224 PolarHBondContact O-N 2.98Å; T221-S224 WeakPolarHBondContact O-CB 3.24Å; T221-S224 PolarHBondContact O-N 3.49Å; T221-S224 VanDerWaalsContact O-N 3.08Å; T221-S224 PolarHBondContact O-OG 3.16Å; S224-Y226 PolarHBondContact O-N 3.09Å; S224-R572 WeakPolarHBondContact O-CA 3.34Å
225T80.8Confident75.9Confident46 Ų4658.4 Ų58.428%0.28229%0.289SS..THydrogen-bonded Turntrans-74.5-4.4-179.150.80000114.5T221 W222 T227T221-T225 WeakPolarHBondContact O-CG2 3.3Å; T221-T225 PolarHBondContact O-N 3.2Å; T221-T225 PolarHBondContact O-OG1 3.47Å; W222-T225 WeakPolarHBondContact CA-OG1 3.47Å; W222-T225 PolarHBondContact O-OG1 3.26Å; T225-T227 VanDerWaalsContact C-N 3.32Å; T225-T227 PolarHBondContact O-N 3.32Å; T225-T227 PolarHBondContact OG1-OG1 3.16Å
226Y72.8Confident75.6Confident76 Ų7663.3 Ų63.330%0.29831%0.308SS..THydrogen-bonded Turntrans64.829.3179-160.1-105.8000113.9S224 R576 F579S224-Y226 PolarHBondContact O-N 3.09Å; Y226-R576 HydrophobicContact CD2-CB 4.29Å; Y226-R576 HydrophobicContact CD2-CG 4.4Å; Y226-R576 HydrophobicContact CE2-CB 4.2Å; Y226-R576 HydrophobicContact CE2-CG 3.81Å; Y226-F579 HydrophobicContact CD1-CB 4.34Å; Y226-F579 HydrophobicContact CD1-CD1 4.33Å; Y226-F579 HydrophobicContact CD1-CG 4.17Å; Y226-F579 HydrophobicContact CE1-CB 4.32Å; Y226-F579 AromaticContact CE1-CD1 3.57Å; Y226-F579 HydrophobicContact CE1-CD1 3.57Å; Y226-F579 HydrophobicContact CE1-CD2 4.48Å; Y226-F579 AromaticContact CE1-CE1 3.92Å; Y226-F579 HydrophobicContact CE1-CE1 3.92Å; Y226-F579 AromaticContact CE1-CG 3.87Å; Y226-F579 HydrophobicContact CE1-CG 3.87Å
227T68.9Low75.2Confident63 Ų6364.8 Ų64.839%0.38732%0.316SS..  trans-105.5141.9-178.342.10000113.6W222 T225W222-T227 VanDerWaalsContact CD1-O 3.3Å; W222-T227 PolarHBondContact NE1-O 3.11Å; W222-T227 PolarHBondContact NE1-OG1 3.25Å; W222-T227 PolarHBondContact O-OG1 3.49Å; T225-T227 VanDerWaalsContact C-N 3.32Å; T225-T227 PolarHBondContact O-N 3.32Å; T225-T227 PolarHBondContact OG1-OG1 3.16Å
228P59.4Low75.2Confident60 Ų6064.3 Ų64.339%0.3931%0.313SS..  trans-77130.8-173.931-36.8000113.7S346P228-S346 WeakPolarHBondContact CB-OG 3.49Å
229L61.5Low75.1Confident46 Ų4664.7 Ų64.724%0.24132%0.315CS..  trans-92.5114.8174.2-144.4124.1000110.2W222 Y234 I237W222-L229 HydrophobicContact CB-CD1 4.48Å; W222-L229 HydrophobicContact CD2-CD1 4.19Å; W222-L229 HydrophobicContact CG-CD1 3.88Å; L229-Y234 HydrophobicContact CD2-CD2 4.06Å; L229-Y234 HydrophobicContact CD2-CG 4.18Å; L229-I237 HydrophobicContact CD2-CD1 4.35Å
230R64.6Low75.4Confident198 Ų19868.6 Ų68.675%0.74733%0.331SS*.  trans-62.2135.6-177.1-76-179.1169.5-175.4-3.8111.1G232 V233 Y234R230-G232 PolarHBondContact O-N 3.29Å; R230-G232 VanDerWaalsContact O-N 3.16Å; R230-V233 HydrophobicContact CB-CB 4.3Å; R230-V233 HydrophobicContact CB-CG2 4Å; R230-V233 PolarHBondContact O-N 3.1Å; R230-Y234 PolarHBondContact O-N 3.26Å
231H62.1Low75.7Confident102 Ų10268.8 Ų68.847%0.47233%0.332SS..Hα-helixtrans-55.1-34.6177.1-91.3-87.5000113.7N235 H348H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.29Å; H231-N235 PolarHBondContact O-N 3.42Å; H231-N235 PolarHBondContact O-ND2 2.94Å; H231-H348 AromaticContact NE2-CD2 3.55Å; H231-H348 AromaticContact NE2-NE2 3.89Å
232G67Low75.8Confident48 Ų4868.1 Ų68.150%0.49533%0.326SS..Hα-helixtrans-62.3-47.6172.600000112.8R230 N235 Q236R230-G232 PolarHBondContact O-N 3.29Å; R230-G232 VanDerWaalsContact O-N 3.16Å; G232-N235 CarbonylContact O-C 3.53Å; G232-N235 PolarHBondContact O-N 2.99Å; G232-Q236 WeakPolarHBondContact O-CG 3.43Å; G232-Q236 PolarHBondContact O-N 3.31Å
233V72.9Confident76Confident62 Ų6270.1 Ų70.138%0.37634%0.338SS..Hα-helixtrans-65.7-42.4177.5178.60000110.8R230 N235 Q236 I237R230-V233 HydrophobicContact CB-CB 4.3Å; R230-V233 HydrophobicContact CB-CG2 4Å; R230-V233 PolarHBondContact O-N 3.1Å; V233-N235 VanDerWaalsContact C-N 3.34Å; V233-N235 PolarHBondContact O-N 3.26Å; V233-Q236 WeakPolarHBondContact O-CB 3.38Å; V233-Q236 PolarHBondContact O-N 2.98Å; V233-Q236 VanDerWaalsContact O-N 3.12Å; V233-I237 HydrophobicContact CG1-CD1 4Å; V233-I237 HydrophobicContact CG1-CG1 4.5Å; V233-I237 WeakPolarHBondContact O-CG1 3.41Å; V233-I237 PolarHBondContact O-N 3.31Å
234Y72.8Confident76.5Confident47 Ų4766.1 Ų66.118%0.18432%0.323CS..Hα-helixtrans-62.8-40.5175.4-168.3-141.4000112.1L229 R230 Q236 I237 K238L229-Y234 HydrophobicContact CD2-CD2 4.06Å; L229-Y234 HydrophobicContact CD2-CG 4.18Å; R230-Y234 PolarHBondContact O-N 3.26Å; Y234-Q236 VanDerWaalsContact C-N 3.35Å; Y234-I237 PolarHBondContact O-N 3.37Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.27Å; Y234-K238 VanDerWaalsContact O-CG 3.3Å; Y234-K238 WeakPolarHBondContact O-CG 3.23Å; Y234-K238 PolarHBondContact O-N 3.15Å
235N74.2Confident76.8Confident29 Ų2966.1 Ų66.116%0.15532%0.323CS..Hα-helixtrans-71.3-26174.3-76.6-20.9000112.8H231 G232 V233 K238 K239 T330H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.29Å; H231-N235 PolarHBondContact O-N 3.42Å; H231-N235 PolarHBondContact O-ND2 2.94Å; G232-N235 CarbonylContact O-C 3.53Å; G232-N235 PolarHBondContact O-N 2.99Å; V233-N235 VanDerWaalsContact C-N 3.34Å; V233-N235 PolarHBondContact O-N 3.26Å; N235-K238 PolarHBondContact OD1-NZ 3.35Å; N235-K239 WeakPolarHBondContact O-CG 3.46Å; N235-K239 PolarHBondContact O-N 2.79Å; N235-T330 PolarHBondContact OD1-OG1 3.33Å
236Q80.1Confident77.1Confident124 Ų12464.9 Ų64.958%0.57932%0.317SS*.Hα-helixtrans-69.5-47.4169.2-78.2171-29.400111.3G232 V233 Y234 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.43Å; G232-Q236 PolarHBondContact O-N 3.31Å; V233-Q236 WeakPolarHBondContact O-CB 3.38Å; V233-Q236 PolarHBondContact O-N 2.98Å; V233-Q236 VanDerWaalsContact O-N 3.12Å; Y234-Q236 VanDerWaalsContact C-N 3.35Å; Q236-K238 VanDerWaalsContact C-N 3.29Å; Q236-K238 PolarHBondContact O-N 3.36Å; Q236-K239 WeakPolarHBondContact O-CB 3.3Å; Q236-K239 PolarHBondContact O-N 3.24Å; Q236-K239 VanDerWaalsContact O-N 3.08Å; Q236-F240 PolarHBondContact O-N 3.12Å
237I81.1Confident77.8Confident39 Ų3965.3 Ų65.320%0.232%0.324CS..Hα-helixtrans-56.8-44174.1-67.9165.1000110.1L229 V233 Y234 F240 L241L229-I237 HydrophobicContact CD2-CD1 4.35Å; V233-I237 HydrophobicContact CG1-CD1 4Å; V233-I237 HydrophobicContact CG1-CG1 4.5Å; V233-I237 WeakPolarHBondContact O-CG1 3.41Å; V233-I237 PolarHBondContact O-N 3.31Å; Y234-I237 PolarHBondContact O-N 3.37Å; I237-F240 WeakPolarHBondContact O-CB 3.28Å; I237-F240 PolarHBondContact O-N 3.28Å; I237-L241 HydrophobicContact CG2-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.31Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 3.38Å
238K83.3Confident78.8Confident2 Ų262.7 Ų62.71%0.00931%0.308CS..Hα-helixtrans-62.3-43.6172.8-70.1172.4-157.2175.40113.4Y234 N235 Q236 F240 L241 I242 Q326Y234-K238 VanDerWaalsContact CE1-NZ 3.27Å; Y234-K238 VanDerWaalsContact O-CG 3.3Å; Y234-K238 WeakPolarHBondContact O-CG 3.23Å; Y234-K238 PolarHBondContact O-N 3.15Å; N235-K238 PolarHBondContact OD1-NZ 3.35Å; Q236-K238 VanDerWaalsContact C-N 3.29Å; Q236-K238 PolarHBondContact O-N 3.36Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 3.12Å; K238-L241 PolarHBondContact O-N 3.47Å; K238-I242 WeakPolarHBondContact O-CB 3.42Å; K238-I242 WeakPolarHBondContact O-CD1 3.34Å; K238-I242 WeakPolarHBondContact O-CG1 3.5Å; K238-I242 PolarHBondContact O-N 3.21Å; K238-Q326 VanDerWaalsContact CD-OE1 3.26Å
239K83.9Confident80.2Confident118 Ų11861 Ų6151%0.51329%0.294SS..Hα-helixtrans-59.1-43.5176.2-81.8177.1174.4-172.60111.1N235 Q236 I242 F243 Y327N235-K239 WeakPolarHBondContact O-CG 3.46Å; N235-K239 PolarHBondContact O-N 2.79Å; Q236-K239 WeakPolarHBondContact O-CB 3.3Å; Q236-K239 PolarHBondContact O-N 3.24Å; Q236-K239 VanDerWaalsContact O-N 3.08Å; K239-I242 PolarHBondContact O-N 3.05Å; K239-F243 WeakPolarHBondContact O-CB 3.48Å; K239-F243 PolarHBondContact O-N 2.69Å; K239-Y327 VanDerWaalsContact CE-OH 3.27Å; K239-Y327 WeakPolarHBondContact CE-OH 3.3Å; K239-Y327 HydrophobicContact CG-CE2 4.21Å
240F88.3Confident81.4Confident116 Ų11660.9 Ų60.951%0.50929%0.294SS..Hα-helixtrans-60.8-49.2174.2175.8-100.1000111.3I211 Q236 I237 K238 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 4.13Å; Q236-F240 PolarHBondContact O-N 3.12Å; I237-F240 WeakPolarHBondContact O-CB 3.28Å; I237-F240 PolarHBondContact O-N 3.28Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 3.12Å; F240-I242 PolarHBondContact O-N 3.39Å; F240-F243 PolarHBondContact O-N 3.46Å; F240-Y244 VanDerWaalsContact O-CB 3.25Å; F240-Y244 WeakPolarHBondContact O-CB 3.18Å; F240-Y244 PolarHBondContact O-N 3.07Å
241L86.7Confident82.5Confident9 Ų954.6 Ų54.65%0.04728%0.277CS..Hα-helixtrans-65-33.9178.4-71.5167.8000113.7Y212 I237 K238 S245 F319Y212-L241 HydrophobicContact CD1-CD2 3.9Å; Y212-L241 HydrophobicContact CE1-CD2 4.09Å; I237-L241 HydrophobicContact CG2-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.31Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 3.38Å; K238-L241 PolarHBondContact O-N 3.47Å; L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.28Å; L241-S245 PolarHBondContact O-N 3.32Å; L241-S245 PolarHBondContact O-OG 2.96Å; L241-F319 HydrophobicContact CB-CE1 4.01Å; L241-F319 HydrophobicContact CB-CZ 4.07Å; L241-F319 HydrophobicContact CD1-CZ 4.21Å; L241-F319 HydrophobicContact CD2-CE1 4.44Å; L241-F319 HydrophobicContact CD2-CZ 4.19Å; L241-F319 HydrophobicContact CG-CZ 4.39Å
242I86.2Confident83.6Confident26 Ų2650.4 Ų50.413%0.13326%0.258CS..Hα-helixtrans-68.1-45.2173.8-71.9162.9000110.4K238 K239 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.42Å; K238-I242 WeakPolarHBondContact O-CD1 3.34Å; K238-I242 WeakPolarHBondContact O-CG1 3.5Å; K238-I242 PolarHBondContact O-N 3.21Å; K239-I242 PolarHBondContact O-N 3.05Å; F240-I242 PolarHBondContact O-N 3.39Å; I242-S245 PolarHBondContact O-OG 3.49Å; I242-A246 WeakPolarHBondContact O-CB 3.18Å; I242-A246 PolarHBondContact O-N 3.4Å; I242-A246 VanDerWaalsContact O-N 3.09Å; I242-F320 HydrophobicContact CG2-CD2 4.24Å; I242-F320 HydrophobicContact CG2-CE2 3.89Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.36Å; I242-V324 HydrophobicContact CD1-CG2 4.24Å; I242-V324 HydrophobicContact CG1-CG2 4.13Å; I242-V324 HydrophobicContact CG2-CG2 3.76Å; I242-Y327 HydrophobicContact CD1-CD1 4.27Å; I242-Y327 HydrophobicContact CD1-CG 4.03Å
243F88.2Confident84.5Confident141 Ų14149.1 Ų49.162%0.61824%0.238SC*.Hα-helixtrans-65.4-45.8176.3178.8-100.2000111.3K239 F240 A246 L247K239-F243 WeakPolarHBondContact O-CB 3.48Å; K239-F243 PolarHBondContact O-N 2.69Å; F240-F243 PolarHBondContact O-N 3.46Å; F243-A246 PolarHBondContact O-N 2.66Å; F243-L247 WeakPolarHBondContact O-CB 3.14Å; F243-L247 PolarHBondContact O-N 2.92Å
244Y90.8Very high85.1Confident37 Ų3748 Ų4815%0.14523%0.232CC..Hα-helixtrans-65.6-42179.5-173.7-105.4000112.3S208 I211 Y212 F240 L247 H248S208-Y244 WeakPolarHBondContact CA-OH 3.38Å; S208-Y244 PolarHBondContact O-OH 3.49Å; S208-Y244 VanDerWaalsContact O-OH 3.12Å; I211-Y244 HydrophobicContact CB-CE1 4.26Å; I211-Y244 HydrophobicContact CD1-CE1 4.28Å; I211-Y244 HydrophobicContact CD1-CE2 3.89Å; I211-Y244 HydrophobicContact CG2-CD1 4.3Å; I211-Y244 HydrophobicContact CG2-CE1 4.21Å; Y212-Y244 AromaticContact CE1-CD1 3.85Å; Y212-Y244 HydrophobicContact CE1-CD1 3.85Å; Y212-Y244 HydrophobicContact CE1-CE1 4.18Å; Y212-Y244 HydrophobicContact CE2-CD1 4.48Å; Y212-Y244 HydrophobicContact CE2-CE1 4.02Å; Y212-Y244 AromaticContact CZ-CD1 3.67Å; Y212-Y244 AromaticContact CZ-CE1 3.64Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.44Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.42Å; F240-Y244 VanDerWaalsContact O-CB 3.25Å; F240-Y244 WeakPolarHBondContact O-CB 3.18Å; F240-Y244 PolarHBondContact O-N 3.07Å; Y244-L247 PolarHBondContact O-N 3.47Å; Y244-H248 HydrophobicContact CE1-CB 4.5Å; Y244-H248 WeakPolarHBondContact O-CB 2.91Å; Y244-H248 PolarHBondContact O-N 3Å
245S88.1Confident85.8Confident0 Ų046.1 Ų46.10%022%0.224CC..Hα-helixtrans-67.2-36.3175.252.10000113.2L241 I242 F249L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.28Å; L241-S245 PolarHBondContact O-N 3.32Å; L241-S245 PolarHBondContact O-OG 2.96Å; I242-S245 PolarHBondContact O-OG 3.49Å; S245-F249 WeakPolarHBondContact O-CB 3.09Å; S245-F249 PolarHBondContact O-N 2.88Å
246A86.2Confident86.3Confident20 Ų2045.5 Ų45.517%0.16522%0.221CC..Hα-helixtrans-64.3-43.617200000112.1I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.18Å; I242-A246 PolarHBondContact O-N 3.4Å; I242-A246 VanDerWaalsContact O-N 3.09Å; F243-A246 PolarHBondContact O-N 2.66Å; A246-L250 WeakPolarHBondContact O-CB 3.27Å; A246-L250 PolarHBondContact O-N 3.32Å; A246-F320 HydrophobicContact CB-CD2 4.1Å; A246-F320 HydrophobicContact CB-CE2 3.85Å
247L88.3Confident86.5Confident84 Ų8439.6 Ų39.644%0.4419%0.193SC..Hα-helixtrans-64.3-46.3175.6-174.472.1000111.5F243 Y244 F249 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.14Å; F243-L247 PolarHBondContact O-N 2.92Å; Y244-L247 PolarHBondContact O-N 3.47Å; L247-F249 PolarHBondContact O-N 3.4Å; L247-L250 WeakPolarHBondContact O-CB 3.38Å; L247-L250 PolarHBondContact O-N 3.4Å; L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 3.09Å
248H89.4Confident86.2Confident9 Ų938.6 Ų38.64%0.04219%0.189CC..Hα-helixtrans-62.1-43.7179.8-173-170.2000111.1N209 Y212 Y244 V251 L252 V316N209-H248 PolarHBondContact OD1-CE1 3.26Å; Y212-H248 AromaticContact CE2-ND1 3.77Å; Y212-H248 AromaticContact CZ-ND1 3.95Å; Y212-H248 PolarHBondContact OH-ND1 3.36Å; Y244-H248 HydrophobicContact CE1-CB 4.5Å; Y244-H248 WeakPolarHBondContact O-CB 2.91Å; Y244-H248 PolarHBondContact O-N 3Å; H248-V251 PolarHBondContact O-N 3.37Å; H248-L252 WeakPolarHBondContact O-CB 3.39Å; H248-L252 VanDerWaalsContact O-CG 3.3Å; H248-L252 WeakPolarHBondContact O-CG 2.94Å; H248-L252 PolarHBondContact O-N 3.06Å; H248-V316 HydrophobicContact CB-CG1 4.37Å
249F88.2Confident85.9Confident23 Ų2340.5 Ų40.510%0.10120%0.199CC..Hα-helixtrans-63.9-41173.2-171.8-95.8000112.4L21 V36 S245 L247 V251 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.38Å; L21-F249 HydrophobicContact CD2-CZ 4.45Å; V36-F249 HydrophobicContact CG1-CD1 4.27Å; V36-F249 HydrophobicContact CG1-CE1 3.96Å; S245-F249 WeakPolarHBondContact O-CB 3.09Å; S245-F249 PolarHBondContact O-N 2.88Å; L247-F249 PolarHBondContact O-N 3.4Å; F249-V251 PolarHBondContact O-N 3.16Å; F249-L252 PolarHBondContact O-N 2.9Å; F249-Y253 VanDerWaalsContact O-CB 3.27Å; F249-Y253 WeakPolarHBondContact O-CB 3.33Å; F249-Y253 PolarHBondContact O-N 2.89Å; F249-V316 HydrophobicContact CB-CG1 4.32Å; F249-L317 HydrophobicContact CD1-CD1 4.46Å; F249-L317 HydrophobicContact CD2-CB 4.21Å; F249-L317 HydrophobicContact CD2-CD1 4.15Å; F249-L317 HydrophobicContact CE1-CD1 4.19Å; F249-L317 HydrophobicContact CE2-CB 4.09Å; F249-L317 HydrophobicContact CE2-CD1 3.87Å; F249-L317 HydrophobicContact CE2-CG 4.45Å; F249-L317 HydrophobicContact CG-CD1 4.45Å; F249-L317 HydrophobicContact CZ-CD1 3.89Å
250L87Confident85.8Confident45 Ų4535.2 Ų35.224%0.23618%0.176CC..Hα-helixtrans-61-42174.3-98.8162.8000112.6I33 A246 L247 Y253 T254I33-L250 HydrophobicContact CG2-CD2 4.38Å; A246-L250 WeakPolarHBondContact O-CB 3.27Å; A246-L250 PolarHBondContact O-N 3.32Å; L247-L250 WeakPolarHBondContact O-CB 3.38Å; L247-L250 PolarHBondContact O-N 3.4Å; L250-Y253 PolarHBondContact O-N 2.92Å; L250-T254 VanDerWaalsContact O-CB 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 PolarHBondContact O-N 3.07Å; L250-T254 PolarHBondContact O-OG1 3.39Å
251V87.1Confident85.4Confident65 Ų6530.2 Ų30.239%0.39416%0.155SC..Hα-helixtrans-66.6-47.1177171.80000110.8L247 H248 F249 Y253 T254 Y255 L277L247-V251 WeakPolarHBondContact O-CG2 3.49Å; L247-V251 PolarHBondContact O-N 3.09Å; H248-V251 PolarHBondContact O-N 3.37Å; F249-V251 PolarHBondContact O-N 3.16Å; V251-Y253 VanDerWaalsContact C-N 3.3Å; V251-Y253 PolarHBondContact O-N 3.05Å; V251-T254 PolarHBondContact O-N 2.86Å; V251-Y255 PolarHBondContact O-N 2.88Å; V251-L277 HydrophobicContact CG1-CD2 3.79Å
252L85.9Confident84.8Confident15 Ų1535.5 Ų35.58%0.07918%0.179CC..Hα-helixtrans-58.5-40.7175.9-73.8170.4000112.1H248 F249 Q256 L277 P313H248-L252 WeakPolarHBondContact O-CB 3.39Å; H248-L252 VanDerWaalsContact O-CG 3.3Å; H248-L252 WeakPolarHBondContact O-CG 2.94Å; H248-L252 PolarHBondContact O-N 3.06Å; F249-L252 PolarHBondContact O-N 2.9Å; L252-Q256 WeakPolarHBondContact O-CG 3.29Å; L252-Q256 PolarHBondContact O-NE2 3.35Å; L252-L277 HydrophobicContact CD2-CD2 4.18Å; L252-P313 HydrophobicContact CD1-CB 4.36Å
253Y86.5Confident84.3Confident20 Ų2037.9 Ų37.98%0.07820%0.198CC..Hα-helixtrans-70.2-44.9177.2-172.2-93.4000112.5A24 S32 I33 V36 F249 L250 V251 Y255 Q256A24-Y253 HydrophobicContact CB-CE2 4.25Å; A24-Y253 WeakPolarHBondContact CB-OH 3.39Å; A24-Y253 PolarHBondContact O-OH 2.65Å; S32-Y253 VanDerWaalsContact CB-OH 3.29Å; S32-Y253 WeakPolarHBondContact CB-OH 3.47Å; S32-Y253 PolarHBondContact OG-OH 3.1Å; I33-Y253 HydrophobicContact CG1-CE1 4.31Å; V36-Y253 HydrophobicContact CG2-CD1 4.19Å; V36-Y253 HydrophobicContact CG2-CD2 4.22Å; V36-Y253 HydrophobicContact CG2-CE1 3.88Å; V36-Y253 HydrophobicContact CG2-CE2 3.91Å; V36-Y253 HydrophobicContact CG2-CG 4.35Å; F249-Y253 VanDerWaalsContact O-CB 3.27Å; F249-Y253 WeakPolarHBondContact O-CB 3.33Å; F249-Y253 PolarHBondContact O-N 2.89Å; L250-Y253 PolarHBondContact O-N 2.92Å; V251-Y253 VanDerWaalsContact C-N 3.3Å; V251-Y253 PolarHBondContact O-N 3.05Å; Y253-Y255 VanDerWaalsContact C-N 3.27Å; Y253-Y255 PolarHBondContact O-N 3.36Å; Y253-Q256 WeakPolarHBondContact O-CB 3.42Å; Y253-Q256 PolarHBondContact O-N 3.47Å
254T85.9Confident84Confident40 Ų4038.5 Ų38.525%0.24520%0.196CC..Hα-helixtrans-62.8-35.4179.5-56.30000111.3L250 V251 Q256 I257 V260L250-T254 VanDerWaalsContact O-CB 3.27Å; L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 PolarHBondContact O-N 3.07Å; L250-T254 PolarHBondContact O-OG1 3.39Å; V251-T254 PolarHBondContact O-N 2.86Å; T254-Q256 PolarHBondContact O-N 2.91Å; T254-I257 HydrophobicContact CG2-CD1 4.44Å; T254-I257 WeakPolarHBondContact O-CB 3.42Å; T254-I257 WeakPolarHBondContact O-CG1 3.21Å; T254-I257 PolarHBondContact O-N 3.36Å; T254-I257 VanDerWaalsContact O-N 3.08Å; T254-V260 HydrophobicContact CG2-CG2 4.13Å; T254-V260 WeakPolarHBondContact O-CB 3.38Å; T254-V260 WeakPolarHBondContact O-CG2 3.5Å
255Y86.9Confident83.4Confident6 Ų639.5 Ų39.52%0.02420%0.204CC..Hα-helixtrans-63.1-24.4174.7-165-112.8000113.6V251 Y253 I257 V260 H261 L265 L277 V279V251-Y255 PolarHBondContact O-N 2.88Å; Y253-Y255 VanDerWaalsContact C-N 3.27Å; Y253-Y255 PolarHBondContact O-N 3.36Å; Y255-I257 VanDerWaalsContact C-N 3.27Å; Y255-I257 PolarHBondContact O-N 3.42Å; Y255-V260 HydrophobicContact CD2-CG1 4.23Å; Y255-H261 HydrophobicContact CD2-CB 4.44Å; Y255-H261 HydrophobicContact CE1-CB 4.34Å; Y255-H261 HydrophobicContact CE2-CB 3.94Å; Y255-H261 PolarHBondContact O-ND1 3.41Å; Y255-L265 HydrophobicContact CD2-CB 4.47Å; Y255-L265 HydrophobicContact CE2-CB 3.87Å; Y255-L265 WeakPolarHBondContact CE2-O 3.31Å; Y255-L265 PolarHBondContact OH-O 3.41Å; Y255-L277 HydrophobicContact CD1-CB 3.96Å; Y255-L277 HydrophobicContact CD2-CB 4.46Å; Y255-L277 HydrophobicContact CD2-CD1 4.35Å; Y255-L277 HydrophobicContact CE1-CB 4.01Å; Y255-L277 HydrophobicContact CG-CB 4.21Å; Y255-V279 HydrophobicContact CD1-CG2 4.4Å; Y255-V279 HydrophobicContact CE1-CG2 3.71Å
256Q85Confident82.8Confident17 Ų1743 Ų438%0.07923%0.226CC..THydrogen-bonded Turntrans-76.5-10.1175.3-48.2-49.4-48.300113.4L252 Y253 T254 T278L252-Q256 WeakPolarHBondContact O-CG 3.29Å; L252-Q256 PolarHBondContact O-NE2 3.35Å; Y253-Q256 WeakPolarHBondContact O-CB 3.42Å; Y253-Q256 PolarHBondContact O-N 3.47Å; T254-Q256 PolarHBondContact O-N 2.91Å; Q256-T278 PolarHBondContact NE2-O 3.35Å
257I83.3Confident81.8Confident0 Ų046.6 Ų46.60%025%0.247CC..SBendtrans-74.2127.4177.5-56.4177.1000108.3F30 I33 T254 Y255 I259 V260F30-I257 HydrophobicContact CD1-CD1 4.37Å; F30-I257 HydrophobicContact CE1-CD1 4.37Å; I33-I257 HydrophobicContact CD1-CD1 3.94Å; I33-I257 HydrophobicContact CG1-CD1 4.36Å; T254-I257 HydrophobicContact CG2-CD1 4.44Å; T254-I257 WeakPolarHBondContact O-CB 3.42Å; T254-I257 WeakPolarHBondContact O-CG1 3.21Å; T254-I257 PolarHBondContact O-N 3.36Å; T254-I257 VanDerWaalsContact O-N 3.08Å; Y255-I257 VanDerWaalsContact C-N 3.27Å; Y255-I257 PolarHBondContact O-N 3.42Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 3.99Å; I257-I259 PolarHBondContact O-N 2.64Å; I257-I259 VanDerWaalsContact O-N 3.09Å; I257-V260 HydrophobicContact CB-CG2 3.99Å; I257-V260 HydrophobicContact CG2-CG2 4.5Å; I257-V260 WeakPolarHBondContact O-CB 3.29Å; I257-V260 PolarHBondContact O-N 2.84Å
258P74.8Confident80.7Confident17 Ų1745.5 Ų45.511%0.1126%0.255CS..Hα-helixtrans-53.5-37.2-171.5-31.236.2000115.4V260 H262 S283P258-V260 PolarHBondContact O-N 2.9Å; P258-H262 WeakPolarHBondContact O-CB 3.29Å; P258-H262 PolarHBondContact O-N 3.24Å; P258-S283 WeakPolarHBondContact CG-OG 3.45Å
259I78.3Confident80Confident42 Ų4246.8 Ų46.822%0.21527%0.265CS..Hα-helixtrans-64.8-29.6178.9-158.9166000112.2F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 4.03Å; F30-I259 HydrophobicContact CZ-CG2 3.93Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 3.99Å; I257-I259 PolarHBondContact O-N 2.64Å; I257-I259 VanDerWaalsContact O-N 3.09Å; I259-S263 WeakPolarHBondContact CG1-OG 3.3Å; I259-S263 WeakPolarHBondContact O-CB 3.4Å; I259-S263 PolarHBondContact O-N 3.42Å; I259-S263 PolarHBondContact O-OG 2.96Å; I259-W264 HydrophobicContact CG2-CZ2 4.41Å; I259-W264 PolarHBondContact O-N 3.04Å
260V80.6Confident79.5Confident7 Ų750.8 Ų50.84%0.04228%0.283CS..Iπ-helixtrans-76.3-51.3-173.8-177.40000110.8T254 Y255 I257 P258 W264 L265T254-V260 HydrophobicContact CG2-CG2 4.13Å; T254-V260 WeakPolarHBondContact O-CB 3.38Å; T254-V260 WeakPolarHBondContact O-CG2 3.5Å; Y255-V260 HydrophobicContact CD2-CG1 4.23Å; I257-V260 HydrophobicContact CB-CG2 3.99Å; I257-V260 HydrophobicContact CG2-CG2 4.5Å; I257-V260 WeakPolarHBondContact O-CB 3.29Å; I257-V260 PolarHBondContact O-N 2.84Å; P258-V260 PolarHBondContact O-N 2.9Å; V260-W264 HydrophobicContact CB-CE3 4.38Å; V260-W264 HydrophobicContact CG1-CE3 4.28Å; V260-W264 HydrophobicContact CG2-CD2 4.43Å; V260-W264 HydrophobicContact CG2-CE3 3.77Å; V260-W264 HydrophobicContact CG2-CZ3 3.95Å; V260-W264 CarbonylContact O-C 3.58Å; V260-W264 WeakPolarHBondContact O-CA 3.34Å; V260-W264 WeakPolarHBondContact O-CB 3.41Å; V260-W264 PolarHBondContact O-N 2.86Å; V260-W264 VanDerWaalsContact O-N 3.1Å; V260-L265 PolarHBondContact O-N 3.2Å
261H79.3Confident79.2Confident11 Ų1152.9 Ų52.95%0.05129%0.294CS..Iπ-helixtrans-81-21-179.460-108.6000114.5Y255 P266 V279Y255-H261 HydrophobicContact CD2-CB 4.44Å; Y255-H261 HydrophobicContact CE1-CB 4.34Å; Y255-H261 HydrophobicContact CE2-CB 3.94Å; Y255-H261 PolarHBondContact O-ND1 3.41Å; H261-P266 WeakPolarHBondContact O-CA 3.48Å; H261-V279 HydrophobicContact CB-CG2 3.91Å
262H74.3Confident78.6Confident120 Ų12049.9 Ų49.956%0.55628%0.275SS*.Iπ-helixtrans-86.5-37.3172.6-91.7-73.2000114.4P258P258-H262 WeakPolarHBondContact O-CB 3.29Å; P258-H262 PolarHBondContact O-N 3.24Å
263S76.7Confident78Confident76 Ų7652.8 Ų52.853%0.53129%0.286SS..Iπ-helixtrans-118.4-22-170.177.70000115.7I259I259-S263 WeakPolarHBondContact CG1-OG 3.3Å; I259-S263 WeakPolarHBondContact O-CB 3.4Å; I259-S263 PolarHBondContact O-N 3.42Å; I259-S263 PolarHBondContact O-OG 2.96Å
264W82.1Confident77.8Confident155 Ų15553.8 Ų53.859%0.58729%0.292SS*.Iπ-helixtrans-103.9-40.2-178.9-58.7-5.8000112.9F30 I259 V260F30-W264 HydrophobicContact CZ-CH2 4.07Å; I259-W264 HydrophobicContact CG2-CZ2 4.41Å; I259-W264 PolarHBondContact O-N 3.04Å; V260-W264 HydrophobicContact CB-CE3 4.38Å; V260-W264 HydrophobicContact CG1-CE3 4.28Å; V260-W264 HydrophobicContact CG2-CD2 4.43Å; V260-W264 HydrophobicContact CG2-CE3 3.77Å; V260-W264 HydrophobicContact CG2-CZ3 3.95Å; V260-W264 CarbonylContact O-C 3.58Å; V260-W264 WeakPolarHBondContact O-CA 3.34Å; V260-W264 WeakPolarHBondContact O-CB 3.41Å; V260-W264 PolarHBondContact O-N 2.86Å; V260-W264 VanDerWaalsContact O-N 3.1Å
265L77.4Confident77.6Confident57 Ų5756 Ų5630%0.29830%0.298SS..SBendtrans-143.280.1-172.7-81.3156.9000111.4Y255 V260 L271Y255-L265 HydrophobicContact CD2-CB 4.47Å; Y255-L265 HydrophobicContact CE2-CB 3.87Å; Y255-L265 WeakPolarHBondContact CE2-O 3.31Å; Y255-L265 PolarHBondContact OH-O 3.41Å; V260-L265 PolarHBondContact O-N 3.2Å; L265-L271 HydrophobicContact CD2-CB 4.33Å; L265-L271 HydrophobicContact CD2-CD1 4.33Å
266P75.5Confident77Confident74 Ų7455.9 Ų55.948%0.48130%0.299SS..  trans-65.4144.7-17526-34.3000113.6H261 G268 S269H261-P266 WeakPolarHBondContact O-CA 3.48Å; P266-G268 VanDerWaalsContact C-N 3.32Å; P266-G268 PolarHBondContact O-N 2.87Å; P266-S269 WeakPolarHBondContact O-CB 3.3Å; P266-S269 PolarHBondContact O-N 2.88Å; P266-S269 VanDerWaalsContact O-N 3.09Å; P266-S269 PolarHBondContact O-OG 2.75Å
267T66.1Low76.7Confident96 Ų9656 Ų5659%0.58930%0.3SS*.THydrogen-bonded Turntrans-57.2-33.2-169.849.80000115.5S269 V279T267-S269 VanDerWaalsContact C-N 3.34Å; T267-V279 HydrophobicContact CG2-CG2 3.73Å
268G65.3Low76.3Confident60 Ų6057.9 Ų57.962%0.61931%0.312SS*.THydrogen-bonded Turntrans-80-7.4179.500000115.5P266P266-G268 VanDerWaalsContact C-N 3.32Å; P266-G268 PolarHBondContact O-N 2.87Å
269S73Confident76.3Confident36 Ų3658.7 Ų58.725%0.25232%0.316SS..SBendtrans-76154.8-174.562.30000113.3P266 T267 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.3Å; P266-S269 PolarHBondContact O-N 2.88Å; P266-S269 VanDerWaalsContact O-N 3.09Å; P266-S269 PolarHBondContact O-OG 2.75Å; T267-S269 VanDerWaalsContact C-N 3.34Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 2.95Å; S269-P272 VanDerWaalsContact O-CD 3.23Å; S269-P272 WeakPolarHBondContact O-CD 3.42Å; S269-P272 VanDerWaalsContact O-CG 3.31Å; S269-P272 WeakPolarHBondContact O-CG 3.27Å; S269-P272 WeakPolarHBondContact OG-CD 3.15Å; S269-P272 WeakPolarHBondContact OG-CG 3.48Å
270F77.9Confident76.1Confident107 Ų10758.3 Ų58.347%0.46931%0.314SS..Hα-helixtrans-60.7-36.7-178.2171.2-106.5000113.4R273 L274F270-R273 PolarHBondContact O-N 3.34Å; F270-L274 HydrophobicContact CE1-CB 4.48Å; F270-L274 HydrophobicContact CE1-CD2 3.76Å; F270-L274 HydrophobicContact CZ-CB 4.35Å; F270-L274 HydrophobicContact CZ-CD1 4.28Å; F270-L274 HydrophobicContact CZ-CD2 3.9Å; F270-L274 HydrophobicContact CZ-CG 4.4Å; F270-L274 WeakPolarHBondContact O-CB 3.46Å; F270-L274 PolarHBondContact O-N 3.05Å
271L80.4Confident75.6Confident89 Ų8958.7 Ų58.747%0.46632%0.316SS..Hα-helixtrans-57.6-56.2-178.8-78164.5000113.6L265 S269 R273 L274 F275L265-L271 HydrophobicContact CD2-CB 4.33Å; L265-L271 HydrophobicContact CD2-CD1 4.33Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 2.95Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 3.16Å; L271-L274 PolarHBondContact O-N 3.05Å; L271-F275 HydrophobicContact CD2-CD2 4.26Å; L271-F275 HydrophobicContact CD2-CE2 3.86Å; L271-F275 WeakPolarHBondContact O-CD2 3.4Å; L271-F275 PolarHBondContact O-N 3.25Å
272P75.6Confident74.9Confident2 Ų260.4 Ų60.41%0.01333%0.325CS..Hα-helixtrans-62.3-35.1177.420.2-30.1000113.4S269 G276 L277S269-P272 VanDerWaalsContact O-CD 3.23Å; S269-P272 WeakPolarHBondContact O-CD 3.42Å; S269-P272 VanDerWaalsContact O-CG 3.31Å; S269-P272 WeakPolarHBondContact O-CG 3.27Å; S269-P272 WeakPolarHBondContact OG-CD 3.15Å; S269-P272 WeakPolarHBondContact OG-CG 3.48Å; P272-G276 CarbonylContact O-C 3.57Å; P272-G276 WeakPolarHBondContact O-CA 3.47Å; P272-G276 PolarHBondContact O-N 2.71Å; P272-L277 HydrophobicContact CB-CB 3.92Å; P272-L277 PolarHBondContact O-N 2.75Å
273R73.4Confident74.4Confident77 Ų7755.2 Ų55.229%0.29130%0.303SS..Hα-helixtrans-61.9-52.6173.1-71.2-167.5-78.8127.7-3.3111.7F270 L271 F275 G276 E532F270-R273 PolarHBondContact O-N 3.34Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 3.16Å; R273-F275 PolarHBondContact O-N 2.93Å; R273-G276 PolarHBondContact O-N 2.92Å; R273-G276 VanDerWaalsContact O-N 3.12Å; R273-E532 IonicContact CZ-OE1 3.22Å; R273-E532 IonicContact NH1-OE1 3.36Å; R273-E532 PolarHBondContact NH1-OE1 3.16Å; R273-E532 IonicContact NH1-OE2 2.8Å; R273-E532 PolarHBondContact NH1-OE2 3.09Å; R273-E532 VanDerWaalsContact NH1-OE2 3.07Å; R273-E532 IonicContact NH2-OE1 2.73Å; R273-E532 PolarHBondContact NH2-OE1 3.41Å
274L81.7Confident73.7Confident40 Ų4053.8 Ų53.821%0.20929%0.293CS..Hα-helixtrans-58.8-45.3178.7-178.168.5000113.3L207 F270 L271 G276 M527L207-L274 HydrophobicContact CB-CD1 4.27Å; L207-L274 HydrophobicContact CB-CG 4.13Å; L207-L274 VanDerWaalsContact CB-O 3.26Å; L207-L274 WeakPolarHBondContact CB-O 3.29Å; L207-L274 HydrophobicContact CD2-CD1 4.27Å; L207-L274 HydrophobicContact CD2-CD2 3.82Å; L207-L274 HydrophobicContact CD2-CG 3.83Å; L207-L274 PolarHBondContact N-O 3.34Å; F270-L274 HydrophobicContact CE1-CB 4.48Å; F270-L274 HydrophobicContact CE1-CD2 3.76Å; F270-L274 HydrophobicContact CZ-CB 4.35Å; F270-L274 HydrophobicContact CZ-CD1 4.28Å; F270-L274 HydrophobicContact CZ-CD2 3.9Å; F270-L274 HydrophobicContact CZ-CG 4.4Å; F270-L274 WeakPolarHBondContact O-CB 3.46Å; F270-L274 PolarHBondContact O-N 3.05Å; L271-L274 PolarHBondContact O-N 3.05Å; L274-G276 VanDerWaalsContact C-N 3.29Å; L274-G276 PolarHBondContact O-N 2.95Å; L274-M527 HydrophobicContact CD1-CE 4.32Å
275F82.4Confident72.8Confident87 Ų8749 Ų4938%0.38228%0.282SS..Hα-helixtrans-80.6-5179.1-76.7-70.9000113.9L207 S208 L271 R273 L277L207-F275 HydrophobicContact CD2-CD1 4.46Å; L207-F275 HydrophobicContact CD2-CE1 4.01Å; L207-F275 HydrophobicContact CD2-CZ 4.26Å; S208-F275 PolarHBondContact OG-O 3.01Å; L271-F275 HydrophobicContact CD2-CD2 4.26Å; L271-F275 HydrophobicContact CD2-CE2 3.86Å; L271-F275 WeakPolarHBondContact O-CD2 3.4Å; L271-F275 PolarHBondContact O-N 3.25Å; R273-F275 PolarHBondContact O-N 2.93Å; F275-L277 VanDerWaalsContact C-N 3.3Å; F275-L277 HydrophobicContact CB-CD1 4.23Å; F275-L277 HydrophobicContact CB-CG 3.94Å; F275-L277 PolarHBondContact O-N 3Å
276G74.2Confident72.1Confident3 Ų350.8 Ų50.83%0.03130%0.297CS..THydrogen-bonded Turntrans71.219.3-17900000114.9K204 P272 R273 L274K204-G276 PolarHBondContact NZ-O 2.96Å; P272-G276 CarbonylContact O-C 3.57Å; P272-G276 WeakPolarHBondContact O-CA 3.47Å; P272-G276 PolarHBondContact O-N 2.71Å; R273-G276 PolarHBondContact O-N 2.92Å; R273-G276 VanDerWaalsContact O-N 3.12Å; L274-G276 VanDerWaalsContact C-N 3.29Å; L274-G276 PolarHBondContact O-N 2.95Å
277L78.9Confident71.6Confident19 Ų1951.3 Ų51.310%0.09929%0.293CS..  trans-74.4121.3179.5-57.1175.9000110V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD2 3.79Å; L252-L277 HydrophobicContact CD2-CD2 4.18Å; Y255-L277 HydrophobicContact CD1-CB 3.96Å; Y255-L277 HydrophobicContact CD2-CB 4.46Å; Y255-L277 HydrophobicContact CD2-CD1 4.35Å; Y255-L277 HydrophobicContact CE1-CB 4.01Å; Y255-L277 HydrophobicContact CG-CB 4.21Å; P272-L277 HydrophobicContact CB-CB 3.92Å; P272-L277 PolarHBondContact O-N 2.75Å; F275-L277 VanDerWaalsContact C-N 3.3Å; F275-L277 HydrophobicContact CB-CD1 4.23Å; F275-L277 HydrophobicContact CB-CG 3.94Å; F275-L277 PolarHBondContact O-N 3Å
278T75.1Confident71.6Confident41 Ų4148.5 Ų48.525%0.25227%0.272SS..  trans-133.3142.6-179.845.10000111.6Q256 L309Q256-T278 PolarHBondContact NE2-O 3.35Å; T278-L309 HydrophobicContact CG2-CD2 3.77Å
279V74.4Confident71.7Confident33 Ų3348.9 Ų48.920%0.226%0.255CS..  trans-75.5128.1176.7-178.40000108.7Y255 H261 T267 M281 V294Y255-V279 HydrophobicContact CD1-CG2 4.4Å; Y255-V279 HydrophobicContact CE1-CG2 3.71Å; H261-V279 HydrophobicContact CB-CG2 3.91Å; T267-V279 HydrophobicContact CG2-CG2 3.73Å; V279-M281 WeakPolarHBondContact CG1-O 3.43Å; V279-V294 HydrophobicContact CG1-CG2 4.23Å
280L72.8Confident71.3Confident34 Ų3450.3 Ų50.318%0.17826%0.256CS..  trans-106.8-31.7179.7-63.9164.3000111.5F293 V294 Y310 P313L280-F293 WeakPolarHBondContact O-CA 3.41Å; L280-V294 PolarHBondContact O-N 3.38Å; L280-Y310 HydrophobicContact CD2-CD1 3.84Å; L280-Y310 HydrophobicContact CD2-CE1 4.24Å; L280-P313 HydrophobicContact CD1-CG 4.04Å
281M70Confident70.7Confident16 Ų1648.4 Ų48.48%0.07925%0.248CC..BIsolated β-bridgetrans-132.1132.6176.7-64.9176.172.100109.8V279 F291 P292 F293V279-M281 WeakPolarHBondContact CG1-O 3.43Å; M281-F291 HydrophobicContact CE-CD1 4.25Å; M281-F291 HydrophobicContact CE-CD2 3.93Å; M281-F291 HydrophobicContact CE-CE1 3.84Å; M281-F291 HydrophobicContact CE-CE2 3.49Å; M281-F291 VanDerWaalsContact CE-CE2 3.49Å; M281-F291 HydrophobicContact CE-CG 4.29Å; M281-F291 HydrophobicContact CE-CZ 3.43Å; M281-F291 VanDerWaalsContact CE-CZ 3.43Å; M281-F291 HydrophobicContact SD-CZ 4.34Å; M281-P292 WeakPolarHBondContact CA-O 3.3Å; M281-F293 HydrophobicContact CG-CD1 3.94Å; M281-F293 HydrophobicContact CG-CE1 3.98Å; M281-F293 HydrophobicContact SD-CE1 4.35Å
282D65.9Low69.7Low46 Ų4646.4 Ų46.425%0.24624%0.241CC..  trans-107.8151.1169.3-175.314.7000109.9S284 P292D282-S284 PolarHBondContact OD1-N 3.35Å; D282-S284 PolarHBondContact OD1-OG 3.45Å; D282-S284 WeakPolarHBondContact OD2-CB 3.33Å; D282-S284 PolarHBondContact OD2-OG 3.08Å; D282-P292 PolarHBondContact N-O 3.31Å; D282-P292 VanDerWaalsContact O-CD 3.3Å; D282-P292 WeakPolarHBondContact O-CD 3.35Å; D282-P292 WeakPolarHBondContact O-CG 3.39Å
283S63.1Low69.2Low12 Ų1252 Ų528%0.08427%0.265CS..  trans-142.245.5169.971.20000111.4R104 P258R104-S283 PolarHBondContact NH1-O 3.48Å; R104-S283 PolarHBondContact NH2-O 2.91Å; P258-S283 WeakPolarHBondContact CG-OG 3.45Å
284S61.5Low68.4Low46 Ų4651.5 Ų51.532%0.32227%0.27SS..  trans-59.8156.6170.948.80000112.4D282 E287D282-S284 PolarHBondContact OD1-N 3.35Å; D282-S284 PolarHBondContact OD1-OG 3.45Å; D282-S284 WeakPolarHBondContact OD2-CB 3.33Å; D282-S284 PolarHBondContact OD2-OG 3.08Å; S284-E287 PolarHBondContact O-N 2.84Å
285C64.6Low67Low55 Ų5552.8 Ų52.837%0.37229%0.286SS..SBendtrans-79.8145.4169.9-840000109.2C95C95-C285 HydrophobicContact CB-CB 3.78Å; C95-C285 WeakPolarHBondContact CB-SG 3.39Å; C95-C285 WeakPolarHBondContact SG-CB 3.21Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.03Å
286P61.8Low65.4Low94 Ų9451.6 Ų51.661%0.6129%0.287SS*.SBendcis-83.4-20.313.630.9-34.9000115.5W288 W289P286-W288 VanDerWaalsContact C-N 3.27Å; P286-W288 PolarHBondContact O-N 3.46Å; P286-W289 WeakPolarHBondContact O-CZ3 3.1Å
287E66.4Low64.3Low85 Ų8557.9 Ų57.940%0.39732%0.32SS..  trans-86.138.2-162.8-50.7-154.8134.100115.3S284 W289 K290S284-E287 PolarHBondContact O-N 2.84Å; E287-W289 PolarHBondContact O-N 3.41Å; E287-K290 HydrophobicContact CB-CB 4.48Å; E287-K290 HydrophobicContact CB-CD 4.25Å; E287-K290 HydrophobicContact CB-CG 4.15Å; E287-K290 VanDerWaalsContact CD-CE 3.42Å; E287-K290 PolarHBondContact O-N 2.91Å; E287-K290 VanDerWaalsContact OE1-CE 3.29Å; E287-K290 WeakPolarHBondContact OE1-CE 3.28Å; E287-K290 IonicContact OE1-NZ 2.68Å; E287-K290 PolarHBondContact OE1-NZ 2.98Å; E287-K290 VanDerWaalsContact OE2-CD 3.31Å; E287-K290 WeakPolarHBondContact OE2-CD 3.21Å; E287-K290 VanDerWaalsContact OE2-CE 3.24Å; E287-K290 WeakPolarHBondContact OE2-CE 3.12Å; E287-K290 IonicContact OE2-NZ 2.87Å; E287-K290 PolarHBondContact OE2-NZ 2.65Å
288W65.1Low62.7Low36 Ų3665.3 Ų65.314%0.13635%0.352CS..THydrogen-bonded Turntrans-61.1-14.9-170.661.6-95.7000115.7V109 R110 H112 P286V109-W288 HydrophobicContact CG1-CE3 4.18Å; V109-W288 HydrophobicContact CG1-CZ3 3.83Å; R110-W288 HydrophobicContact CB-CH2 4.43Å; R110-W288 WeakPolarHBondContact O-CH2 3.23Å; R110-W288 WeakPolarHBondContact O-CZ3 3.1Å; H112-W288 HydrophobicContact CB-CH2 4.31Å; H112-W288 AromaticContact CD2-CZ2 3.76Å; P286-W288 VanDerWaalsContact C-N 3.27Å; P286-W288 PolarHBondContact O-N 3.46Å
289W66.8Low61.5Low68 Ų6870.8 Ų70.826%0.25838%0.38SS..THydrogen-bonded Turntrans-92.4-14.3177.66283.4000114.3P286 E287P286-W289 WeakPolarHBondContact O-CZ3 3.1Å; E287-W289 PolarHBondContact O-N 3.41Å
290K65.8Low60.1Low66 Ų6675.2 Ų75.229%0.28740%0.403SS..SBendtrans-73.9175.9-179.9-68.3-158-169.7161.60112.1R121 E287 P292R121-K290 PolarHBondContact NH1-O 3.16Å; E287-K290 HydrophobicContact CB-CB 4.48Å; E287-K290 HydrophobicContact CB-CD 4.25Å; E287-K290 HydrophobicContact CB-CG 4.15Å; E287-K290 VanDerWaalsContact CD-CE 3.42Å; E287-K290 PolarHBondContact O-N 2.91Å; E287-K290 VanDerWaalsContact OE1-CE 3.29Å; E287-K290 WeakPolarHBondContact OE1-CE 3.28Å; E287-K290 IonicContact OE1-NZ 2.68Å; E287-K290 PolarHBondContact OE1-NZ 2.98Å; E287-K290 VanDerWaalsContact OE2-CD 3.31Å; E287-K290 WeakPolarHBondContact OE2-CD 3.21Å; E287-K290 VanDerWaalsContact OE2-CE 3.24Å; E287-K290 WeakPolarHBondContact OE2-CE 3.12Å; E287-K290 IonicContact OE2-NZ 2.87Å; E287-K290 PolarHBondContact OE2-NZ 2.65Å; K290-P292 VanDerWaalsContact C-CD 3.5Å; K290-P292 HydrophobicContact CB-CG 4.22Å
291F64.1Low58.8Low67 Ų6781.9 Ų81.929%0.29444%0.438SS..  trans-119.966.6175-157.3-92.7000112.2M281 F293M281-F291 HydrophobicContact CE-CD1 4.25Å; M281-F291 HydrophobicContact CE-CD2 3.93Å; M281-F291 HydrophobicContact CE-CE1 3.84Å; M281-F291 HydrophobicContact CE-CE2 3.49Å; M281-F291 VanDerWaalsContact CE-CE2 3.49Å; M281-F291 HydrophobicContact CE-CG 4.29Å; M281-F291 HydrophobicContact CE-CZ 3.43Å; M281-F291 VanDerWaalsContact CE-CZ 3.43Å; M281-F291 HydrophobicContact SD-CZ 4.34Å; F291-F293 HydrophobicContact CD1-CD2 4.49Å; F291-F293 HydrophobicContact CD1-CE2 4.01Å; F291-F293 HydrophobicContact CE1-CD2 4.46Å; F291-F293 AromaticContact CE1-CE2 3.62Å; F291-F293 HydrophobicContact CE1-CE2 3.62Å; F291-F293 AromaticContact CE1-CZ 3.75Å; F291-F293 HydrophobicContact CE1-CZ 3.75Å; F291-F293 PolarHBondContact O-N 2.95Å
292P59.8Low57.8Low48 Ų4886.2 Ų86.231%0.31246%0.462SS..  trans-83.9114.7-174.83.117.1000110.8M281 D282 K290M281-P292 WeakPolarHBondContact CA-O 3.3Å; D282-P292 PolarHBondContact N-O 3.31Å; D282-P292 VanDerWaalsContact O-CD 3.3Å; D282-P292 WeakPolarHBondContact O-CD 3.35Å; D282-P292 WeakPolarHBondContact O-CG 3.39Å; K290-P292 VanDerWaalsContact C-CD 3.5Å; K290-P292 HydrophobicContact CB-CG 4.22Å
293F64.7Low56.8Low118 Ų11890.9 Ų90.952%0.51849%0.486SS..BIsolated β-bridgetrans-75140.5152.2-69-76.2000108.4L280 M281 F291 A295L280-F293 WeakPolarHBondContact O-CA 3.41Å; M281-F293 HydrophobicContact CG-CD1 3.94Å; M281-F293 HydrophobicContact CG-CE1 3.98Å; M281-F293 HydrophobicContact SD-CE1 4.35Å; F291-F293 HydrophobicContact CD1-CD2 4.49Å; F291-F293 HydrophobicContact CD1-CE2 4.01Å; F291-F293 HydrophobicContact CE1-CD2 4.46Å; F291-F293 AromaticContact CE1-CE2 3.62Å; F291-F293 HydrophobicContact CE1-CE2 3.62Å; F291-F293 AromaticContact CE1-CZ 3.75Å; F291-F293 HydrophobicContact CE1-CZ 3.75Å; F291-F293 PolarHBondContact O-N 2.95Å; F293-A295 PolarHBondContact O-N 2.71Å; F293-A295 VanDerWaalsContact O-N 3.12Å
294V58.4Low56.1Low68 Ų6896.6 Ų96.641%0.41251%0.514SS..PPolyproline II helixtrans-63.3117176.5-177.10000108.7V279 L280 Y310V279-V294 HydrophobicContact CG1-CG2 4.23Å; L280-V294 PolarHBondContact O-N 3.38Å; V294-Y310 PolarHBondContact O-OH 3.4Å
295A50.4Low55.8Low66 Ų66100.6 Ų100.655%0.54553%0.529SS..PPolyproline II helixtrans-77.5147.3178.300000110.7F293F293-A295 PolarHBondContact O-N 2.71Å; F293-A295 VanDerWaalsContact O-N 3.12Å
296P50.7Low55.6Low62 Ų62102.9 Ų102.940%0.40353%0.533SS..PPolyproline II helixtrans-70.2139.1170.530.6-33.7000110.5F298 K306P296-F298 VanDerWaalsContact O-CD2 3.23Å; P296-F298 WeakPolarHBondContact O-CD2 3.49Å; P296-F298 PolarHBondContact O-N 3.33Å; P296-K306 HydrophobicContact CB-CD 4.31Å
297D49.6Very low56.1Low136 Ų136102.9 Ų102.973%0.72752%0.521SS*.PPolyproline II helixtrans-58.1134.2171.9-52.1-74.3000110.9K306D297-K306 IonicContact OD2-NZ 3.96Å
298F46.3Very low56.4Low175 Ų17598.9 Ų98.977%0.76850%0.503SS*.SBendtrans-92.87.5-167.3-84-92.9000114.9P296P296-F298 VanDerWaalsContact O-CD2 3.23Å; P296-F298 WeakPolarHBondContact O-CD2 3.49Å; P296-F298 PolarHBondContact O-N 3.33Å
299N48.7Very low56.7Low156 Ų15699.1 Ų99.183%0.83451%0.506SS*.SBendtrans-102.4-3-161.2-103.126.2000116.7
300D44.9Very low57.2Low126 Ų126100.3 Ų100.367%0.67451%0.511SS*.SBendtrans-124144.2178.8-64.5-56.2000110.7D302D300-D302 PolarHBondContact O-N 3.04Å
301D46.7Very low57.8Low173 Ų17398 Ų9893%0.92551%0.505SS*.SBendtrans-64.50.4-176.1-72.3-46000114.9L303D301-L303 PolarHBondContact O-N 2.9Å
302D48.8Very low58.8Low108 Ų10895 Ų9558%0.57849%0.492SS*.  trans-71.743.5174.6-81.5-22.8000113.3D300 I304 L549D300-D302 PolarHBondContact O-N 3.04Å; D302-I304 PolarHBondContact O-N 3.4Å; D302-L549 HydrophobicContact CB-CD2 4.28Å
303L44.9Very low59.8Low144 Ų14493.8 Ų93.875%0.75448%0.484SS*.  trans-62.1-10.4-174.7-146.583.7000114D301 M305D301-L303 PolarHBondContact O-N 2.9Å; L303-M305 PolarHBondContact O-N 3.24Å
304I49.3Very low60.7Low132 Ų13293.3 Ų93.368%0.67749%0.486SS*.SBendtrans-8268-179.3-51.2-176.1000110.9D302 V551D302-I304 PolarHBondContact O-N 3.4Å; I304-V551 WeakPolarHBondContact O-CG2 3.28Å
305M53.3Low62Low129 Ų12990.7 Ų90.764%0.63547%0.47SS*.  trans56.9105.2143.6-65.1-172.5169.800118.6L303 W307 V551L303-M305 PolarHBondContact O-N 3.24Å; M305-W307 HydrophobicContact CB-CB 4.12Å; M305-W307 HydrophobicContact CB-CG 4.29Å; M305-W307 PolarHBondContact O-N 2.96Å; M305-V551 WeakPolarHBondContact O-CG2 3.34Å
306K60.7Low63.8Low104 Ų10487.6 Ų87.645%0.45244%0.444SS..  trans-62.123.3155.6-74.6171.3-178.4166.60114.1P296 D297 L309P296-K306 HydrophobicContact CB-CD 4.31Å; D297-K306 IonicContact OD2-NZ 3.96Å; K306-L309 HydrophobicContact CB-CD1 3.75Å; K306-L309 HydrophobicContact CG-CD1 4.08Å; K306-L309 WeakPolarHBondContact O-CB 3.39Å; K306-L309 WeakPolarHBondContact O-CD1 3.28Å; K306-L309 PolarHBondContact O-N 3.08Å
307W72.2Confident65.4Low93 Ų9386.3 Ų86.335%0.35243%0.434SS..Hα-helixtrans-55.6-33.8-178.678.3-93.3000116M305 L309 Y310 A311M305-W307 HydrophobicContact CB-CB 4.12Å; M305-W307 HydrophobicContact CB-CG 4.29Å; M305-W307 PolarHBondContact O-N 2.96Å; W307-L309 PolarHBondContact O-N 2.94Å; W307-Y310 PolarHBondContact O-N 3.18Å; W307-A311 HydrophobicContact CE3-CB 3.91Å; W307-A311 HydrophobicContact CZ3-CB 3.93Å; W307-A311 PolarHBondContact O-N 3.16Å; W307-A311 VanDerWaalsContact O-N 3.1Å
308P73.4Confident67.1Low2 Ų282.7 Ų82.71%0.01342%0.416CS..Hα-helixtrans-66.1-22.7-177.9-17.230.8000112.7V203 N312 V551V203-P308 HydrophobicContact CG1-CB 4.48Å; V203-P308 WeakPolarHBondContact O-CB 3.31Å; P308-N312 PolarHBondContact O-N 2.98Å; P308-V551 HydrophobicContact CG-CG2 4.19Å
309L72.2Confident69.1Low40 Ų4074.4 Ų74.421%0.20938%0.38CS..Hα-helixtrans-67.6-42.7174.9-70112000112.5T278 K306 W307 P550T278-L309 HydrophobicContact CG2-CD2 3.77Å; K306-L309 HydrophobicContact CB-CD1 3.75Å; K306-L309 HydrophobicContact CG-CD1 4.08Å; K306-L309 WeakPolarHBondContact O-CB 3.39Å; K306-L309 WeakPolarHBondContact O-CD1 3.28Å; K306-L309 PolarHBondContact O-N 3.08Å; W307-L309 PolarHBondContact O-N 2.94Å; L309-P550 HydrophobicContact CD1-CG 4.48Å
310Y75.9Confident71Confident93 Ų9367.5 Ų67.537%0.36534%0.342SS..Hα-helixtrans-75.2-30.9176.8-56.2-79.1000112.3L280 V294 W307 P313L280-Y310 HydrophobicContact CD2-CD1 3.84Å; L280-Y310 HydrophobicContact CD2-CE1 4.24Å; V294-Y310 PolarHBondContact O-OH 3.4Å; W307-Y310 PolarHBondContact O-N 3.18Å; Y310-P313 WeakPolarHBondContact O-CD 3.17Å
311A78.7Confident72.9Confident18 Ų1864.5 Ų64.515%0.14932%0.322CS..Hα-helixtrans-70.3-36.6-179.900000113.3V203 W307 I314 V315V203-A311 HydrophobicContact CG1-CB 4.43Å; W307-A311 HydrophobicContact CE3-CB 3.91Å; W307-A311 HydrophobicContact CZ3-CB 3.93Å; W307-A311 PolarHBondContact O-N 3.16Å; W307-A311 VanDerWaalsContact O-N 3.1Å; A311-I314 PolarHBondContact O-N 2.92Å; A311-I314 VanDerWaalsContact O-N 3.07Å; A311-V315 WeakPolarHBondContact O-CG2 3.49Å; A311-V315 PolarHBondContact O-N 2.86Å
312N84.5Confident74.5Confident4 Ų459.7 Ų59.72%0.02130%0.296CS..Hα-helixtrans-47.9-56.2-175.2-170.741.1000114.7V203 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.34Å; N209-N312 PolarHBondContact ND2-OD1 2.87Å; N209-N312 VanDerWaalsContact ND2-OD1 3.14Å; P308-N312 PolarHBondContact O-N 2.98Å; N312-I314 VanDerWaalsContact C-N 3.29Å; N312-I314 PolarHBondContact O-N 3.47Å; N312-V315 PolarHBondContact O-N 3.06Å; N312-V316 WeakPolarHBondContact O-CG2 3.42Å; N312-V316 PolarHBondContact O-N 2.67Å
313P80.8Confident76.2Confident23 Ų2354.5 Ų54.515%0.14927%0.268CS..Hα-helixtrans-63.2-30.8179.625.7-36.3000113.9L252 L280 Y310 L317L252-P313 HydrophobicContact CD1-CB 4.36Å; L280-P313 HydrophobicContact CD1-CG 4.04Å; Y310-P313 WeakPolarHBondContact O-CD 3.17Å; P313-L317 WeakPolarHBondContact O-CB 3.46Å; P313-L317 PolarHBondContact O-N 3.39Å; P313-L317 VanDerWaalsContact O-N 3.16Å
314I84.1Confident78Confident108 Ų10848.1 Ų48.155%0.55424%0.235SC*.Hα-helixtrans-72.3-44.3178.1-58.6173.5000110.1A311 N312 V316 L317 V318A311-I314 PolarHBondContact O-N 2.92Å; A311-I314 VanDerWaalsContact O-N 3.07Å; N312-I314 VanDerWaalsContact C-N 3.29Å; N312-I314 PolarHBondContact O-N 3.47Å; I314-V316 PolarHBondContact O-N 3.4Å; I314-L317 PolarHBondContact O-N 3.36Å; I314-V318 HydrophobicContact CG2-CG2 4.46Å; I314-V318 WeakPolarHBondContact O-CG2 3.49Å; I314-V318 PolarHBondContact O-N 3.44Å
315V85.7Confident79.2Confident13 Ų1343.8 Ų43.88%0.07922%0.219CC..Hα-helixtrans-62.9-41.9178.9171.90000111F196 Y199 V200 A311 N312 V318 F319F196-V315 HydrophobicContact CZ-CG1 4.23Å; Y199-V315 HydrophobicContact CD1-CG1 4Å; Y199-V315 HydrophobicContact CD1-CG2 4.46Å; Y199-V315 HydrophobicContact CE1-CG1 4.13Å; Y199-V315 HydrophobicContact CE1-CG2 3.76Å; V200-V315 HydrophobicContact CB-CG1 4.19Å; V200-V315 HydrophobicContact CG1-CG1 4.36Å; V200-V315 HydrophobicContact CG2-CG1 3.54Å; A311-V315 WeakPolarHBondContact O-CG2 3.49Å; A311-V315 PolarHBondContact O-N 2.86Å; N312-V315 PolarHBondContact O-N 3.06Å; V315-V318 PolarHBondContact O-N 3.2Å; V315-F319 VanDerWaalsContact O-CB 3.27Å; V315-F319 WeakPolarHBondContact O-CB 3.36Å; V315-F319 PolarHBondContact O-N 3.07Å
316V87.6Confident80.3Confident0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-63.1-41.9174.5175.20000111.8V200 H248 F249 N312 I314 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.33Å; H248-V316 HydrophobicContact CB-CG1 4.37Å; F249-V316 HydrophobicContact CB-CG1 4.32Å; N312-V316 WeakPolarHBondContact O-CG2 3.42Å; N312-V316 PolarHBondContact O-N 2.67Å; I314-V316 PolarHBondContact O-N 3.4Å; V316-F319 PolarHBondContact O-N 2.69Å; V316-F320 PolarHBondContact O-N 2.92Å
317L85.9Confident81.2Confident36 Ų3635.2 Ų35.219%0.18818%0.177CC..Hα-helixtrans-63.1-47.9176.1-173.579.9000111.8L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.35Å; L21-L317 HydrophobicContact CD1-CD2 4.26Å; F249-L317 HydrophobicContact CD1-CD1 4.46Å; F249-L317 HydrophobicContact CD2-CB 4.21Å; F249-L317 HydrophobicContact CD2-CD1 4.15Å; F249-L317 HydrophobicContact CE1-CD1 4.19Å; F249-L317 HydrophobicContact CE2-CB 4.09Å; F249-L317 HydrophobicContact CE2-CD1 3.87Å; F249-L317 HydrophobicContact CE2-CG 4.45Å; F249-L317 HydrophobicContact CG-CD1 4.45Å; F249-L317 HydrophobicContact CZ-CD1 3.89Å; P313-L317 WeakPolarHBondContact O-CB 3.46Å; P313-L317 PolarHBondContact O-N 3.39Å; P313-L317 VanDerWaalsContact O-N 3.16Å; I314-L317 PolarHBondContact O-N 3.36Å; L317-F319 VanDerWaalsContact C-N 3.3Å; L317-F319 PolarHBondContact O-N 2.72Å; L317-F320 WeakPolarHBondContact O-CB 3.35Å; L317-F320 PolarHBondContact O-N 3.49Å; L317-Y321 HydrophobicContact CD1-CD2 4.42Å; L317-Y321 HydrophobicContact CD1-CE2 3.98Å; L317-Y321 HydrophobicContact CG-CD2 4.15Å; L317-Y321 HydrophobicContact CG-CE2 4.08Å; L317-Y321 WeakPolarHBondContact O-CD2 3.47Å; L317-Y321 PolarHBondContact O-N 3.47Å
318V84.2Confident81.2Confident60 Ų6033.7 Ų33.736%0.36417%0.173SC..Hα-helixtrans-62.7-39.9178.2172.80000110.7F196 I314 V315 F320 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.27Å; F196-V318 HydrophobicContact CE1-CG1 3.85Å; F196-V318 HydrophobicContact CZ-CB 4.31Å; F196-V318 HydrophobicContact CZ-CG1 3.85Å; I314-V318 HydrophobicContact CG2-CG2 4.46Å; I314-V318 WeakPolarHBondContact O-CG2 3.49Å; I314-V318 PolarHBondContact O-N 3.44Å; V315-V318 PolarHBondContact O-N 3.2Å; V318-F320 PolarHBondContact O-N 3.37Å; V318-Y321 PolarHBondContact O-N 3.49Å; V318-L322 HydrophobicContact CG1-CD1 3.81Å; V318-L322 HydrophobicContact CG1-CG 4.24Å; V318-L322 WeakPolarHBondContact O-CB 3.45Å; V318-L322 WeakPolarHBondContact O-CG 3.29Å; V318-L322 PolarHBondContact O-N 2.87Å
319F88.5Confident80.9Confident0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-61-41.5174.3179-92.9000112F196 V200 Y212 L241 V315 V316 L317 T323F196-F319 HydrophobicContact CD1-CB 4.22Å; F196-F319 HydrophobicContact CD1-CD2 4.06Å; F196-F319 HydrophobicContact CE1-CB 4.05Å; V200-F319 HydrophobicContact CG2-CB 4.16Å; V200-F319 HydrophobicContact CG2-CD2 3.9Å; V200-F319 HydrophobicContact CG2-CG 4.17Å; Y212-F319 HydrophobicContact CD1-CE1 4.41Å; Y212-F319 HydrophobicContact CD1-CZ 4.38Å; Y212-F319 HydrophobicContact CE1-CD1 4.48Å; Y212-F319 AromaticContact CE1-CE1 3.97Å; Y212-F319 HydrophobicContact CE1-CE1 3.97Å; Y212-F319 HydrophobicContact CE1-CZ 4.4Å; L241-F319 HydrophobicContact CB-CE1 4.01Å; L241-F319 HydrophobicContact CB-CZ 4.07Å; L241-F319 HydrophobicContact CD1-CZ 4.21Å; L241-F319 HydrophobicContact CD2-CE1 4.44Å; L241-F319 HydrophobicContact CD2-CZ 4.19Å; L241-F319 HydrophobicContact CG-CZ 4.39Å; V315-F319 VanDerWaalsContact O-CB 3.27Å; V315-F319 WeakPolarHBondContact O-CB 3.36Å; V315-F319 PolarHBondContact O-N 3.07Å; V316-F319 PolarHBondContact O-N 2.69Å; L317-F319 VanDerWaalsContact C-N 3.3Å; L317-F319 PolarHBondContact O-N 2.72Å; F319-T323 HydrophobicContact CD1-CG2 4.13Å; F319-T323 HydrophobicContact CD2-CG2 4.3Å; F319-T323 HydrophobicContact CE1-CG2 3.8Å; F319-T323 HydrophobicContact CE2-CG2 3.97Å; F319-T323 HydrophobicContact CG-CG2 4.38Å; F319-T323 HydrophobicContact CZ-CG2 3.72Å; F319-T323 WeakPolarHBondContact O-CB 3.13Å; F319-T323 VanDerWaalsContact O-CG2 3.31Å; F319-T323 WeakPolarHBondContact O-CG2 3.47Å; F319-T323 PolarHBondContact O-N 3.22Å; F319-T323 PolarHBondContact O-OG1 3.1Å
320F88.8Confident80.6Confident11 Ų1139.1 Ų39.15%0.04820%0.198CC..Hα-helixtrans-60-50.6172.8173.5-96.6000112.1L40 A43 I242 A246 V316 L317 V318 L322 T323 V324L40-F320 HydrophobicContact CB-CZ 4.44Å; L40-F320 HydrophobicContact CD2-CD1 3.85Å; L40-F320 HydrophobicContact CD2-CE1 3.47Å; L40-F320 VanDerWaalsContact CD2-CE1 3.47Å; L40-F320 HydrophobicContact CD2-CE2 4.46Å; L40-F320 HydrophobicContact CD2-CG 4.49Å; L40-F320 HydrophobicContact CD2-CZ 3.81Å; A43-F320 HydrophobicContact CB-CE1 3.91Å; I242-F320 HydrophobicContact CG2-CD2 4.24Å; I242-F320 HydrophobicContact CG2-CE2 3.89Å; A246-F320 HydrophobicContact CB-CD2 4.1Å; A246-F320 HydrophobicContact CB-CE2 3.85Å; V316-F320 PolarHBondContact O-N 2.92Å; L317-F320 WeakPolarHBondContact O-CB 3.35Å; L317-F320 PolarHBondContact O-N 3.49Å; V318-F320 PolarHBondContact O-N 3.37Å; F320-L322 PolarHBondContact O-N 3.48Å; F320-T323 WeakPolarHBondContact CA-OG1 3.27Å; F320-T323 PolarHBondContact O-N 2.98Å; F320-T323 PolarHBondContact O-OG1 2.8Å; F320-V324 HydrophobicContact CD2-CG2 4.16Å; F320-V324 HydrophobicContact CE1-CG2 4.23Å; F320-V324 HydrophobicContact CE2-CG2 3.85Å; F320-V324 HydrophobicContact CG-CG2 4.49Å; F320-V324 HydrophobicContact CZ-CG2 3.89Å; F320-V324 WeakPolarHBondContact O-CB 3.2Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.33Å; F320-V324 PolarHBondContact O-N 3.28Å
321Y84.5Confident79.9Confident63 Ų6342 Ų4225%0.24721%0.208CC..Hα-helixtrans-64.1-40.3179.7-83.1-83.9000112.8A39 A43 L317 V318 A325A39-Y321 PolarHBondContact O-OH 3.36Å; A43-Y321 HydrophobicContact CB-CD1 4.02Å; A43-Y321 HydrophobicContact CB-CE1 3.61Å; L317-Y321 HydrophobicContact CD1-CD2 4.42Å; L317-Y321 HydrophobicContact CD1-CE2 3.98Å; L317-Y321 HydrophobicContact CG-CD2 4.15Å; L317-Y321 HydrophobicContact CG-CE2 4.08Å; L317-Y321 WeakPolarHBondContact O-CD2 3.47Å; L317-Y321 PolarHBondContact O-N 3.47Å; V318-Y321 PolarHBondContact O-N 3.49Å; Y321-A325 VanDerWaalsContact O-CB 3.3Å; Y321-A325 WeakPolarHBondContact O-CB 3.31Å; Y321-A325 PolarHBondContact O-N 3.43Å
322L81.6Confident78.6Confident72 Ų7247 Ų4738%0.37723%0.232SC..Hα-helixtrans-66.1-47.4176.6-73.5175.3000112L193 F196 V318 F320 V324 A325 Q326L193-L322 HydrophobicContact CD1-CB 4.32Å; F196-L322 HydrophobicContact CD1-CD1 4.09Å; F196-L322 HydrophobicContact CE1-CD1 4.11Å; V318-L322 HydrophobicContact CG1-CD1 3.81Å; V318-L322 HydrophobicContact CG1-CG 4.24Å; V318-L322 WeakPolarHBondContact O-CB 3.45Å; V318-L322 WeakPolarHBondContact O-CG 3.29Å; V318-L322 PolarHBondContact O-N 2.87Å; F320-L322 PolarHBondContact O-N 3.48Å; L322-V324 PolarHBondContact O-N 3.08Å; L322-A325 PolarHBondContact O-N 3.12Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 PolarHBondContact O-N 3.2Å
323T83.8Confident76.9Confident0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-63.4-39.2177.3510000111.8L193 I242 F319 F320 Y327L193-T323 HydrophobicContact CD1-CG2 3.83Å; L193-T323 HydrophobicContact CD2-CG2 4.31Å; L193-T323 HydrophobicContact CG-CG2 4.4Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.36Å; F319-T323 HydrophobicContact CD1-CG2 4.13Å; F319-T323 HydrophobicContact CD2-CG2 4.3Å; F319-T323 HydrophobicContact CE1-CG2 3.8Å; F319-T323 HydrophobicContact CE2-CG2 3.97Å; F319-T323 HydrophobicContact CG-CG2 4.38Å; F319-T323 HydrophobicContact CZ-CG2 3.72Å; F319-T323 WeakPolarHBondContact O-CB 3.13Å; F319-T323 VanDerWaalsContact O-CG2 3.31Å; F319-T323 WeakPolarHBondContact O-CG2 3.47Å; F319-T323 PolarHBondContact O-N 3.22Å; F319-T323 PolarHBondContact O-OG1 3.1Å; F320-T323 WeakPolarHBondContact CA-OG1 3.27Å; F320-T323 PolarHBondContact O-N 2.98Å; F320-T323 PolarHBondContact O-OG1 2.8Å; T323-Y327 WeakPolarHBondContact O-CB 3.18Å; T323-Y327 PolarHBondContact O-N 2.94Å
324V82.7Confident75.1Confident10 Ų1052.3 Ų52.36%0.06128%0.278CS..Hα-helixtrans-67.1-43.3175.3170.50000112.1A43 I242 F320 L322 Y327 K328A43-V324 HydrophobicContact CB-CG1 4.3Å; A43-V324 VanDerWaalsContact O-CG1 3.28Å; A43-V324 WeakPolarHBondContact O-CG1 3.49Å; I242-V324 HydrophobicContact CD1-CG2 4.24Å; I242-V324 HydrophobicContact CG1-CG2 4.13Å; I242-V324 HydrophobicContact CG2-CG2 3.76Å; F320-V324 HydrophobicContact CD2-CG2 4.16Å; F320-V324 HydrophobicContact CE1-CG2 4.23Å; F320-V324 HydrophobicContact CE2-CG2 3.85Å; F320-V324 HydrophobicContact CG-CG2 4.49Å; F320-V324 HydrophobicContact CZ-CG2 3.89Å; F320-V324 WeakPolarHBondContact O-CB 3.2Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.33Å; F320-V324 PolarHBondContact O-N 3.28Å; L322-V324 PolarHBondContact O-N 3.08Å; V324-Y327 PolarHBondContact O-N 3.47Å; V324-K328 WeakPolarHBondContact O-CG 3.44Å; V324-K328 PolarHBondContact O-N 3.03Å
325A75.1Confident72.9Confident40 Ų4059 Ų5933%0.33130%0.296SS..Hα-helixtrans-61.9-45.2175.800000111.2Y321 L322 K328 F329Y321-A325 VanDerWaalsContact O-CB 3.3Å; Y321-A325 WeakPolarHBondContact O-CB 3.31Å; Y321-A325 PolarHBondContact O-N 3.43Å; L322-A325 PolarHBondContact O-N 3.12Å; A325-K328 PolarHBondContact O-N 3.39Å; A325-F329 WeakPolarHBondContact O-CD2 3.28Å; A325-F329 WeakPolarHBondContact O-CG 3.3Å; A325-F329 PolarHBondContact O-N 2.99Å
326Q75.7Confident70.5Confident10 Ų1067 Ų675%0.04733%0.333CS..Hα-helixtrans-69.7-38-179.7-158.3-87.5-3000111.8N190 K238 L322 F329 T330N190-Q326 PolarHBondContact OD1-NE2 2.85Å; K238-Q326 VanDerWaalsContact CD-OE1 3.26Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 PolarHBondContact O-N 3.2Å; Q326-F329 PolarHBondContact O-N 3.1Å; Q326-T330 PolarHBondContact O-N 3Å; Q326-T330 PolarHBondContact O-OG1 2.99Å
327Y79.3Confident68.2Low43 Ų4376.9 Ų76.917%0.16937%0.371CS..Hα-helixtrans-62.2-39.6169.1175.2-113.4000112.2K239 I242 T323 V324 F329 T330 R331K239-Y327 VanDerWaalsContact CE-OH 3.27Å; K239-Y327 WeakPolarHBondContact CE-OH 3.3Å; K239-Y327 HydrophobicContact CG-CE2 4.21Å; I242-Y327 HydrophobicContact CD1-CD1 4.27Å; I242-Y327 HydrophobicContact CD1-CG 4.03Å; T323-Y327 WeakPolarHBondContact O-CB 3.18Å; T323-Y327 PolarHBondContact O-N 2.94Å; V324-Y327 PolarHBondContact O-N 3.47Å; Y327-F329 VanDerWaalsContact C-N 3.31Å; Y327-F329 PolarHBondContact O-N 3.34Å; Y327-T330 CarbonylContact O-C 3.51Å; Y327-T330 PolarHBondContact O-N 2.68Å; Y327-T330 VanDerWaalsContact O-N 3.17Å; Y327-R331 HydrophobicContact CE1-CB 4.43Å; Y327-R331 HydrophobicContact CE2-CB 4.24Å; Y327-R331 WeakPolarHBondContact O-CA 3.45Å; Y327-R331 WeakPolarHBondContact O-CB 3.48Å; Y327-R331 PolarHBondContact O-N 2.91Å
328K71.5Confident65.5Low61 Ų6182.1 Ų82.127%0.26540%0.398SS..Hα-helixtrans-64.9-34.2173-78.5-176.3-178.1177.60112.9A43 V44 L45 V324 A325 T330A43-K328 VanDerWaalsContact O-CE 3.27Å; A43-K328 WeakPolarHBondContact O-CE 3.35Å; A43-K328 PolarHBondContact O-NZ 3.13Å; V44-K328 WeakPolarHBondContact O-CE 3.46Å; V44-K328 PolarHBondContact O-NZ 3.01Å; L45-K328 PolarHBondContact O-NZ 2.98Å; V324-K328 WeakPolarHBondContact O-CG 3.44Å; V324-K328 PolarHBondContact O-N 3.03Å; A325-K328 PolarHBondContact O-N 3.39Å; K328-T330 VanDerWaalsContact C-N 3.35Å
329F68.3Low62.9Low122 Ų12285.8 Ų85.854%0.53542%0.416SS..Hα-helixtrans-69.9-28.4172.4-60.8-30.4000113A325 Q326 Y327A325-F329 WeakPolarHBondContact O-CD2 3.28Å; A325-F329 WeakPolarHBondContact O-CG 3.3Å; A325-F329 PolarHBondContact O-N 2.99Å; Q326-F329 PolarHBondContact O-N 3.1Å; Y327-F329 VanDerWaalsContact C-N 3.31Å; Y327-F329 PolarHBondContact O-N 3.34Å
330T66.3Low60Low35 Ų3592 Ų9222%0.21545%0.449CS..Hα-helixtrans-101.7-7.5179.564.20000115.7N235 Q326 Y327 K328N235-T330 PolarHBondContact OD1-OG1 3.33Å; Q326-T330 PolarHBondContact O-N 3Å; Q326-T330 PolarHBondContact O-OG1 2.99Å; Y327-T330 CarbonylContact O-C 3.51Å; Y327-T330 PolarHBondContact O-N 2.68Å; Y327-T330 VanDerWaalsContact O-N 3.17Å; K328-T330 VanDerWaalsContact C-N 3.35Å
331R60.8Low57.1Low153 Ų15398.1 Ų98.158%0.57748%0.482SS*.Hα-helixtrans-77-42.8-177.5171.9-178.9163.5165.1-1.5113.3Y327 G333Y327-R331 HydrophobicContact CE1-CB 4.43Å; Y327-R331 HydrophobicContact CE2-CB 4.24Å; Y327-R331 WeakPolarHBondContact O-CA 3.45Å; Y327-R331 WeakPolarHBondContact O-CB 3.48Å; Y327-R331 PolarHBondContact O-N 2.91Å; R331-G333 VanDerWaalsContact C-N 3.26Å; R331-G333 PolarHBondContact O-N 2.81Å
332N52Low54.3Low122 Ų122104 Ų10465%0.65251%0.512SS*.THydrogen-bonded Turntrans-94.140.1-179.1-72.321000111.2S334N332-S334 PolarHBondContact O-N 3.09Å; N332-S334 VanDerWaalsContact O-N 3.13Å
333G48.1Very low51.7Low43 Ų43111.9 Ų111.944%0.44354%0.538SS..  trans-57.3116.7-175.500000112.2R331 R335R331-G333 VanDerWaalsContact C-N 3.26Å; R331-G333 PolarHBondContact O-N 2.81Å; G333-R335 PolarHBondContact O-N 3.41Å
334S43.2Very low49Very low97 Ų97114.8 Ų114.868%0.67857%0.568SS**  trans37.630.5158.761.90000119N332 E336 Y337N332-S334 PolarHBondContact O-N 3.09Å; N332-S334 VanDerWaalsContact O-N 3.13Å; S334-E336 PolarHBondContact O-N 3.21Å; S334-Y337 PolarHBondContact O-N 3.01Å; S334-Y337 VanDerWaalsContact O-N 3.11Å
335R37.3Very low46.3Very low247 Ų247118.4 Ų118.493%0.93259%0.594SS**THydrogen-bonded Turntrans-75.923.2-170.1-154176.2170.9169.5-3.1115.1G333G333-R335 PolarHBondContact O-N 3.41Å
336E35.9Very low44.1Very low183 Ų183120.5 Ų120.586%0.85561%0.606SS**THydrogen-bonded Turntrans-114.5-0.1171.8-112166.3-17400111.7S334S334-E336 PolarHBondContact O-N 3.21Å
337Y38.6Very low42.1Very low206 Ų206122.6 Ų122.681%0.80862%0.619SS**SBendtrans-109.8105169.1-84.3-89.7000109.5S334S334-Y337 PolarHBondContact O-N 3.01Å; S334-Y337 VanDerWaalsContact O-N 3.11Å
338I30Very low40.1Very low147 Ų147127 Ų12775%0.75464%0.641SS**  trans-69.9147.3-170.9-71.3160.3000112.3
339D28.3Very low38.8Very low137 Ų137130.2 Ų130.273%0.73366%0.657SS**  trans11.3153.7148.8-46.1-27.7000119.8
340D28Very low37.2Very low131 Ų131128.8 Ų128.870%0.70165%0.652SS**  cis-156.6167.19.8-137.3-22.8000110.8
341N28.2Very low35.4Very low139 Ų139138.3 Ų138.374%0.74368%0.684SS**  trans43.2110.2164.4-66-49.1000121.3
342E26.5Very low34Very low187 Ų187138.9 Ų138.987%0.87469%0.691SS**  171.6162.5121.9-96.2-168.7166.700113.5
343Y26.6Very low33.1Very low237 Ų237139 Ų13993%0.92970%0.696SS**  trans-80.7126.1-169.9-69.8-108.9000113.6
344G26.1Very low32.3Very low61 Ų61142.3 Ų142.363%0.62971%0.712SS**  trans168.190.8163.300000121.1
345S26Very low31.5Very low85 Ų85142.3 Ų142.359%0.59472%0.718SS**  trans71.1177146.983.80000120.8V347S345-V347 PolarHBondContact O-N 3.37Å; S345-V347 WeakPolarHBondContact OG-CG2 3.27Å
346S30.2Very low31.2Very low85 Ų85134.3 Ų134.359%0.59471%0.712SS**SBendtrans-78.849.9178.653.70000111.6P228P228-S346 WeakPolarHBondContact CB-OG 3.49Å
347V33.9Very low30.7Very low53 Ų53131.4 Ų131.432%0.32171%0.707SS.*  trans-100.6101.6-172.7154.70000110S345 E350S345-V347 PolarHBondContact O-N 3.37Å; S345-V347 WeakPolarHBondContact OG-CG2 3.27Å; V347-E350 HydrophobicContact CG1-CB 3.63Å; V347-E350 HydrophobicContact CG1-CG 3.78Å; V347-E350 HydrophobicContact CG2-CG 4.07Å
348H36.1Very low30.3Very low135 Ų135128.2 Ų128.263%0.62571%0.709SS**SBendtrans-119.419.6153.4-87.8-8.6000111.2H231H231-H348 AromaticContact NE2-CD2 3.55Å; H231-H348 AromaticContact NE2-NE2 3.89Å
349E43.6Very low30Very low129 Ų129129.9 Ų129.960%0.60371%0.714SS**SBendtrans-97.4-23172.1-100.2-174.6-178.500113.8K434E349-K434 IonicContact OE2-NZ 3.18Å; E349-K434 PolarHBondContact OE2-NZ 2.95Å
350E35Very low29.8Very low92 Ų92128.7 Ų128.743%0.4371%0.711SS.*THydrogen-bonded Turntrans-99.113.9-166.8-53.8-170.814700115.4V347 Y595V347-E350 HydrophobicContact CG1-CB 3.63Å; V347-E350 HydrophobicContact CG1-CG 3.78Å; V347-E350 HydrophobicContact CG2-CG 4.07Å; E350-Y595 PolarHBondContact OE1-OH 2.86Å
351R28.4Very low29.8Very low235 Ų235129.3 Ų129.389%0.88771%0.714SS**THydrogen-bonded Turntrans-120.321.9176.1-92.7-168-175.6-176.82.7115.3V353R351-V353 VanDerWaalsContact C-N 3.26Å; R351-V353 PolarHBondContact O-N 2.93Å
352F31.8Very low29.7Very low166 Ų166128.3 Ų128.373%0.72871%0.713SS**SBendtrans-89.120.3172.3-89.1-88.1000114.2
353V34.2Very low29.8Very low125 Ų125126.2 Ų126.276%0.75871%0.708SS**SBendtrans-131.2137.8170.3-173.80000107.6R351R351-V353 VanDerWaalsContact C-N 3.26Å; R351-V353 PolarHBondContact O-N 2.93Å
354S30.2Very low30.1Very low111 Ų111123 Ų12378%0.77671%0.707SS**SBendtrans77.240173.5-53.10000120.1
355A27.1Very low30.3Very low98 Ų98126.1 Ų126.181%0.8171%0.714SS**SBendtrans-132.292.6158.500000110.4
356G30Very low30.4Very low78 Ų78124.8 Ų124.880%0.80471%0.713SS**SBendtrans156.63.8-176.600000116.9
357T26.5Very low30.3Very low123 Ų123128.6 Ų128.676%0.75572%0.722SS**SBendtrans-141.9140.2173.547.70000110.7
358V29.4Very low29.8Very low139 Ų139133.7 Ų133.784%0.84275%0.746SS**  trans90.7140176.7-167.80000115
359E24.1Very low29.5Very low182 Ų182134.8 Ų134.885%0.8576%0.755SS**  trans75117.1-169.7-62.7-176.7-166.700114.7
360T24Very low28.4Very low111 Ų111131 Ų13168%0.68174%0.743SS**SBendcis-141.2176.84.551.40000112.7
361N27.1Very low27.9Very low144 Ų144133.8 Ų133.877%0.7776%0.759SS**  trans71.283.4-178.7-55.76.2000111.9
362V27.6Very low27.6Very low118 Ų118127.1 Ų127.172%0.71575%0.749SS**  60.2136.250.3-164.80000110
363D28.9Very low27.1Very low144 Ų144127.2 Ų127.277%0.7775%0.751SS**  trans73.658.6-175.7-46.9-34000116.2
364D31.4Very low27.3Very low169 Ų169126.5 Ų126.590%0.90475%0.752SS**  -163.663127.7-102.6-21.6000110.5G366D364-G366 PolarHBondContact O-N 3.5Å
365V30.5Very low27.8Very low127 Ų127127.3 Ų127.377%0.7775%0.753SS**  trans-80.988.5169.9177.80000107.9
366G28.9Very low27.8Very low57 Ų57127.6 Ų127.659%0.58876%0.755SS**  trans-134.2105.6-178.700000112.5D364D364-G366 PolarHBondContact O-N 3.5Å
367Q27.6Very low28.1Very low165 Ų165129 Ų12977%0.77175%0.752SS**SBendtrans64.792.5167.6-45.8-175.3-42.900115S370Q367-S370 WeakPolarHBondContact CG-OG 3.49Å
368L22.4Very low28.8Very low160 Ų160127.3 Ų127.384%0.83875%0.751SS**SBendcis-63.6131.93.6-51.591.5000110
369I31.1Very low29.6Very low157 Ų157126 Ų12681%0.80575%0.745SS**SBendcis-121.599.142.2-59.7151.1000110.6
370S21.2Very low30.2Very low49 Ų49123.4 Ų123.434%0.34375%0.747SS.*  trans-154.6119.2168.459.40000109.5Q367Q367-S370 WeakPolarHBondContact CG-OG 3.49Å
371I22.7Very low30.8Very low151 Ų151121.9 Ų121.977%0.77475%0.753SS**  47.8119.2111.1-54.1149.9000113.8
372S22.4Very low30.7Very low96 Ų96127.5 Ų127.567%0.67176%0.764SS**  cis-148.3134.330.151.80000113.7
373E22.3Very low30.9Very low167 Ų167125.3 Ų125.378%0.7877%0.765SS**  21.8150114.4-63.7159.4120.700120.9
374S37.1Very low30.8Very low111 Ų111130.8 Ų130.878%0.77678%0.775SS**  trans96.1121166.978.90000116.4
375T40.7Very low30.6Very low128 Ų128125.7 Ų125.779%0.78576%0.762SS**  cis-148.2126.4-3.4-18.90000113
376A27.8Very low30.9Very low104 Ų104126.9 Ų126.986%0.8676%0.764SS**  trans-116.7112.9147.800000108
377S36.8Very low31.1Very low107 Ų107130.4 Ų130.475%0.74877%0.774SS**  trans-93.595.7154.650.30000106.5
378A41.6Very low31.4Very low88 Ų88130 Ų13073%0.72778%0.776SS**  87.8168.695.500000111.4
379P44.4Very low31.9Very low111 Ų111129.5 Ų129.572%0.72177%0.774SS**  cis-138.5152.15.438.5-19.1000118.4
380S36.7Very low32.3Very low127 Ų127129.1 Ų129.189%0.88877%0.773SS**  trans67.3146.6151.479.10000121
381G37.9Very low33.2Very low79 Ų79131.4 Ų131.481%0.81479%0.789SS**  trans149.392166.500000116.5
382R24.6Very low33.7Very low263 Ų263132 Ų13299%0.99279%0.794SS**  trans-34.6152.6174.8-73.3170.5165.3166.6-4.4118.3
383G31.5Very low34.5Very low71 Ų71131 Ų13173%0.73279%0.791SS**  trans128106.6154.700000111.9
384R26.8Very low35.2Very low260 Ų260129 Ų12998%0.98180%0.796SS**  cis59.160.544.4-152.6179.2-172.6167.73113.6
385G28.1Very low35Very low61 Ų61128.6 Ų128.663%0.62979%0.792SS**  trans111.4119.7148.700000117.6
386N36.8Very low34.6Very low153 Ų153128.2 Ų128.282%0.81880%0.795SS**  trans63.3152144.8-47.7-20.5000119.8
387T32.6Very low34.8Very low130 Ų130127.2 Ų127.280%0.79879%0.787SS**  trans67.1126.1152.744.10000125.2
388L33.5Very low34.5Very low156 Ų156128.2 Ų128.282%0.81778%0.784SS**  trans57.1138.6140.4-68.4162.2000128.8
389L34Very low34.1Very low150 Ų150129.7 Ų129.779%0.78578%0.779SS**  trans75.7141.1142.6-71.2173.1000130
390L38.8Very low33.5Very low150 Ų150130.5 Ų130.579%0.78578%0.778SS**  trans64.7137.7143.5-96.7150.1000130.9
391S39.5Very low33.3Very low97 Ų97131.5 Ų131.568%0.67877%0.768SS**  trans75.2139.714370.50000128.8
392N34.4Very low33Very low164 Ų164135.1 Ų135.188%0.87776%0.764SS**  trans52171.1152-79.41.5000122.9
393A38.5Very low33.3Very low75 Ų75126 Ų12662%0.6275%0.752SS**  cis-175.7146.1-42.700000112.5
394S36.3Very low33.2Very low125 Ų125134.1 Ų134.187%0.87476%0.761SS**  trans65161.5166.974.50000118.5
395S33.4Very low33.4Very low101 Ų101125.5 Ų125.571%0.70675%0.745SS**  cis-165.7161.720.961.10000114.9
396S32Very low33.4Very low120 Ų120133.6 Ų133.684%0.83976%0.757SS**  trans63.6153156.795.70000119
397A33Very low33.1Very low83 Ų83130.8 Ų130.869%0.68675%0.749SS**  cis-158.5161.8-16.500000105.5
398N30.4Very low32.9Very low129 Ų129135.9 Ų135.969%0.6975%0.754SS**  cis-161.1166.631.9-134.233.4000108.4
399D32.8Very low32.9Very low118 Ų118133.5 Ų133.563%0.63175%0.75SS**  trans57.1119.4151.1-43.2-21.2000119.4
400D31.5Very low33.1Very low129 Ų129131.3 Ų131.369%0.6975%0.745SS**  cis-172.1153.58-115.9-28.6000113.5
401E32.1Very low32.8Very low147 Ų147131.3 Ų131.369%0.68775%0.745SS**  trans61.5132.3146.9-60.5-160.8141.900123.5
402Q31.5Very low32.4Very low155 Ų155136.7 Ų136.772%0.72475%0.75SS**  cis-163.7125.3-16.7-128.2168.241.200113.3
403G31.1Very low32.2Very low73 Ų73136 Ų13675%0.75375%0.746SS**  trans78.3159.613400000121.8
404R29.9Very low31.9Very low241 Ų241136 Ų13691%0.90975%0.754SS**  cis-167.1148-21-142.1-176.4171.5117.3-4.6112.2
405A30.6Very low31.5Very low79 Ų79139.1 Ų139.165%0.65376%0.755SS**  trans93.7124.9134.900000123.6
406R29.6Very low31.1Very low231 Ų231143.5 Ų143.587%0.87276%0.764SS**  trans83141.3146.6-70.6171.1-178.8167.70.8120.4
407S30Very low31Very low94 Ų94147.4 Ų147.466%0.65777%0.769SS**  cis-176151.1-2348.20000113.5
408R28.7Very low30.7Very low237 Ų237145.8 Ų145.889%0.89476%0.761SS**  trans84.6106.8150.2-77.5172.8178.3173-1.3122.3
409S33.6Very low30.6Very low106 Ų106145.5 Ų145.574%0.74177%0.769SS**  trans-49.7-163.714260.10000115.2
410P37.6Very low30.3Very low104 Ų104147.8 Ų147.868%0.67578%0.779SS**  cis-147.2-168.64.832.6-5.9000118.5
411L32.2Very low30.4Very low150 Ų150146.1 Ų146.179%0.78578%0.775SS**  trans90.5112141.2-91.1166.3000123.3
412R30.6Very low30.4Very low209 Ų209144.1 Ų144.179%0.78977%0.769SS**  125.1118.3106.6-162.3169171.8170.9-6.8119
413N30Very low30.8Very low149 Ų149147.7 Ų147.780%0.79778%0.776SS**  trans42.1130.8147.6-52.37.8000122.5
414G34Very low31.3Very low76 Ų76150.2 Ų150.278%0.78477%0.766SS**  trans-170.1120.8158.100000109.3
415E27Very low32Very low190 Ų190141.3 Ų141.389%0.88874%0.738SS**  trans-78.4148.7-176.4-67.3142.7124.100112
416E26Very low33Very low193 Ų193140.4 Ų140.490%0.90273%0.725SS**  -174.2139.1106.6-101.2-176179.400112.3
417Q29.7Very low34.3Very low203 Ų203129.8 Ų129.895%0.94969%0.686SS**  trans-80.4117170.8-65.3169.1-15.900108.5
418G26.9Very low35.7Very low49 Ų49128.9 Ų128.951%0.50567%0.671SS.*  trans-155.467.8-17700000113.5I420G418-I420 VanDerWaalsContact C-N 3.29Å; G418-I420 WeakPolarHBondContact O-CG1 3.34Å; G418-I420 PolarHBondContact O-N 2.86Å
419S26.4Very low37.1Very low123 Ų123121 Ų12186%0.8665%0.65SS**  trans24.654.115351.20000117.7P421S419-P421 VanDerWaalsContact O-CD 3.28Å; S419-P421 WeakPolarHBondContact O-CD 3.45Å; S419-P421 VanDerWaalsContact O-N 3.13Å
420I26.4Very low38.3Very low165 Ų165117.9 Ų117.985%0.84663%0.626SS**  trans-72113.8-172.4-51.9-175.1000109G418G418-I420 VanDerWaalsContact C-N 3.29Å; G418-I420 WeakPolarHBondContact O-CG1 3.34Å; G418-I420 PolarHBondContact O-N 2.86Å
421P33.9Very low39.3Very low94 Ų94113.8 Ų113.861%0.6160%0.598SS**  trans-71.6154.7-162.427.7-36000112.6S419 R423S419-P421 VanDerWaalsContact O-CD 3.28Å; S419-P421 WeakPolarHBondContact O-CD 3.45Å; S419-P421 VanDerWaalsContact O-N 3.13Å; P421-R423 WeakPolarHBondContact O-CA 3.41Å; P421-R423 PolarHBondContact O-N 3.23Å
422L33.4Very low40.7Very low106 Ų106111.3 Ų111.356%0.55558%0.579SS**  trans-45.3102.8174.3-87.1150.7000110.3K424 D585L422-K424 PolarHBondContact O-N 2.88Å; L422-D585 HydrophobicContact CD1-CB 4.47Å
423R39.8Very low42.1Very low230 Ų230104.4 Ų104.487%0.86856%0.557SS**  trans-57.4114.5-160.4-164.3178.6-169-170.53.3110.4P421 V425P421-R423 WeakPolarHBondContact O-CA 3.41Å; P421-R423 PolarHBondContact O-N 3.23Å; R423-V425 PolarHBondContact O-N 3.42Å
424K40.2Very low43.3Very low125 Ų125101 Ų10154%0.54354%0.536SS..  trans-28.4106.7-171.9-88.7-176.6173.8178.50112.4L422 T426 E581L422-K424 PolarHBondContact O-N 2.88Å; K424-T426 PolarHBondContact O-N 3.43Å; K424-E581 IonicContact NZ-OE1 3.44Å; K424-E581 PolarHBondContact NZ-OE1 3.41Å
425V45Very low44.6Very low54 Ų5498.4 Ų98.433%0.32750%0.503SS..  trans-59.6107.4163.9179.30000106.1R423 V429 V430 R588R423-V425 PolarHBondContact O-N 3.42Å; V425-V429 HydrophobicContact CG1-CB 4.34Å; V425-V430 HydrophobicContact CG1-CG2 3.9Å; V425-R588 PolarHBondContact O-NH2 3.09Å; V425-R588 VanDerWaalsContact O-NH2 3.07Å
426T51.5Low46.1Very low60 Ų6090.1 Ų90.137%0.36847%0.466SS..  trans-75.7150.9-178.564.70000109.2K424 Q428 V429K424-T426 PolarHBondContact O-N 3.43Å; T426-Q428 PolarHBondContact O-N 3.41Å; T426-Q428 PolarHBondContact OG1-OE1 2.8Å; T426-V429 PolarHBondContact O-N 2.97Å
427S57.5Low47.5Very low9 Ų986.5 Ų86.56%0.06345%0.453CS..Hα-helixtrans-58.9-23.6-178.266.70000113.3V429 V430 D431 R576S427-V429 PolarHBondContact O-N 3.2Å; S427-V430 PolarHBondContact O-N 3.17Å; S427-D431 WeakPolarHBondContact O-CB 3.04Å; S427-D431 VanDerWaalsContact O-CG 3.31Å; S427-D431 PolarHBondContact O-N 3.09Å; S427-R576 PolarHBondContact OG-NH2 2.91Å; S427-R576 VanDerWaalsContact OG-NH2 3.08Å
428Q59.5Low48.6Very low74 Ų7482.4 Ų82.435%0.34644%0.436SS..Hα-helixtrans-57.8-38.8172-61.3170.5-55.400113.8T426 R432T426-Q428 PolarHBondContact O-N 3.41Å; T426-Q428 PolarHBondContact OG1-OE1 2.8Å; Q428-R432 VanDerWaalsContact O-CB 3.31Å; Q428-R432 WeakPolarHBondContact O-CB 3.33Å; Q428-R432 PolarHBondContact O-N 3.27Å
429V57.6Low49.9Very low73 Ų7383.6 Ų83.644%0.44243%0.428SS..Hα-helixtrans-72.9-39.4-178.2-1780000110.5V425 T426 S427 N433V425-V429 HydrophobicContact CG1-CB 4.34Å; T426-V429 PolarHBondContact O-N 2.97Å; S427-V429 PolarHBondContact O-N 3.2Å; V429-N433 PolarHBondContact O-N 2.85Å
430V58.8Low51.3Low40 Ų4079.4 Ų79.424%0.24240%0.396CS..Hα-helixtrans-68.3-42.7176.5-176.20000110.8V425 S427 N433 K434 Y580V425-V430 HydrophobicContact CG1-CG2 3.9Å; S427-V430 PolarHBondContact O-N 3.17Å; V430-N433 PolarHBondContact O-N 2.78Å; V430-K434 PolarHBondContact O-N 3.24Å; V430-Y580 HydrophobicContact CG1-CE1 4.41Å
431D59.9Low52Low18 Ų1875.9 Ų75.910%0.09638%0.382CS..Hα-helixtrans-61.2-45.7175.3-79-8000112.1S427 N433 K434 L435 R576S427-D431 WeakPolarHBondContact O-CB 3.04Å; S427-D431 VanDerWaalsContact O-CG 3.31Å; S427-D431 PolarHBondContact O-N 3.09Å; D431-N433 VanDerWaalsContact C-N 3.27Å; D431-N433 PolarHBondContact O-N 2.94Å; D431-K434 PolarHBondContact O-N 3.47Å; D431-L435 WeakPolarHBondContact O-CB 3.3Å; D431-L435 WeakPolarHBondContact O-CD1 3.44Å; D431-L435 VanDerWaalsContact O-CG 3.31Å; D431-L435 WeakPolarHBondContact O-CG 3.45Å; D431-L435 PolarHBondContact O-N 3.43Å; D431-R576 IonicContact OD1-CZ 2.69Å; D431-R576 IonicContact OD1-NH1 2.74Å; D431-R576 PolarHBondContact OD1-NH1 2.92Å; D431-R576 IonicContact OD1-NH2 3.16Å; D431-R576 IonicContact OD2-CZ 3.6Å; D431-R576 IonicContact OD2-NH1 2.77Å; D431-R576 PolarHBondContact OD2-NH1 3.46Å; D431-R576 IonicContact OD2-NH2 3.44Å; D431-R576 PolarHBondContact OD2-NH2 3.21Å
432R61.6Low52.2Low98 Ų9878 Ų7837%0.3740%0.396SS..Hα-helixtrans-56.4-42.2177.7-176.6-176.2164.8104.67.7111.5Q428 S436 I454Q428-R432 VanDerWaalsContact O-CB 3.31Å; Q428-R432 WeakPolarHBondContact O-CB 3.33Å; Q428-R432 PolarHBondContact O-N 3.27Å; R432-S436 PolarHBondContact O-N 3.05Å; R432-I454 HydrophobicContact CG-CG2 3.72Å
433N59Low52.6Low64 Ų6476.9 Ų76.934%0.34241%0.41SS..Hα-helixtrans-75.5-31.4178-76.711.6000113.4V429 V430 D431 S436 N437V429-N433 PolarHBondContact O-N 2.85Å; V430-N433 PolarHBondContact O-N 2.78Å; D431-N433 VanDerWaalsContact C-N 3.27Å; D431-N433 PolarHBondContact O-N 2.94Å; N433-S436 WeakPolarHBondContact CA-OG 3.5Å; N433-S436 PolarHBondContact O-OG 3.02Å; N433-N437 PolarHBondContact O-N 3.18Å; N433-N437 PolarHBondContact O-OD1 3.33Å
434K56.3Low52.8Low78 Ų7871.2 Ų71.234%0.33940%0.397SS..Hα-helixtrans-67.5-42.5170.3-78.7-162.7165.1-146.10111.4E349 V430 D431 N437 I438E349-K434 IonicContact OE2-NZ 3.18Å; E349-K434 PolarHBondContact OE2-NZ 2.95Å; V430-K434 PolarHBondContact O-N 3.24Å; D431-K434 PolarHBondContact O-N 3.47Å; K434-N437 PolarHBondContact O-N 2.53Å; K434-I438 WeakPolarHBondContact O-CD1 3.41Å; K434-I438 WeakPolarHBondContact O-CG1 3.22Å; K434-I438 PolarHBondContact O-N 2.89Å
435L59.3Low53Low21 Ų2175 Ų7511%0.1141%0.414CS..Hα-helixtrans-64.3-40.9175.1-73.1161.1000111.7D431 N437 I438 F439 I454 M457 I461D431-L435 WeakPolarHBondContact O-CB 3.3Å; D431-L435 WeakPolarHBondContact O-CD1 3.44Å; D431-L435 VanDerWaalsContact O-CG 3.31Å; D431-L435 WeakPolarHBondContact O-CG 3.45Å; D431-L435 PolarHBondContact O-N 3.43Å; L435-N437 VanDerWaalsContact C-N 3.3Å; L435-N437 PolarHBondContact O-N 3.25Å; L435-I438 PolarHBondContact O-N 2.97Å; L435-F439 HydrophobicContact CD2-CE2 3.96Å; L435-F439 WeakPolarHBondContact O-CD2 3.49Å; L435-F439 PolarHBondContact O-N 2.67Å; L435-F439 VanDerWaalsContact O-N 3.09Å; L435-I454 HydrophobicContact CB-CG1 4.35Å; L435-M457 HydrophobicContact CD1-CB 4.01Å; L435-M457 HydrophobicContact CD2-CB 4.28Å; L435-M457 HydrophobicContact CD2-SD 3.6Å; L435-I461 HydrophobicContact CD1-CD1 4.38Å
436S59.5Low53.2Low15 Ų1575.8 Ų75.811%0.10541%0.414CS..Hα-helixtrans-62-36.2176.365.10000112.9R432 N433 I438 F439 N440R432-S436 PolarHBondContact O-N 3.05Å; N433-S436 WeakPolarHBondContact CA-OG 3.5Å; N433-S436 PolarHBondContact O-OG 3.02Å; S436-I438 VanDerWaalsContact C-N 3.32Å; S436-F439 PolarHBondContact O-N 2.62Å; S436-N440 WeakPolarHBondContact O-CB 3.49Å; S436-N440 PolarHBondContact O-N 3.03Å; S436-N440 PolarHBondContact O-ND2 2.63Å
437N54.8Low53.1Low118 Ų11876.3 Ų76.363%0.63142%0.42SS*.Hα-helixtrans-78.4-15.6178.2-66.81.2000113.5N433 K434 L435N433-N437 PolarHBondContact O-N 3.18Å; N433-N437 PolarHBondContact O-OD1 3.33Å; K434-N437 PolarHBondContact O-N 2.53Å; L435-N437 VanDerWaalsContact C-N 3.3Å; L435-N437 PolarHBondContact O-N 3.25Å
438I53.6Low52.5Low116 Ų11679.9 Ų79.960%0.59545%0.45SS*.Hα-helixtrans-82.3-32.2170.4-68.2163.7000110.8K434 L435 S436K434-I438 WeakPolarHBondContact O-CD1 3.41Å; K434-I438 WeakPolarHBondContact O-CG1 3.22Å; K434-I438 PolarHBondContact O-N 2.89Å; L435-I438 PolarHBondContact O-N 2.97Å; S436-I438 VanDerWaalsContact C-N 3.32Å
439F54.9Low51.7Low74 Ų7479.6 Ų79.633%0.32546%0.46SS..Hα-helixtrans-102.7-9.5-175.3-66.1-58.8000115.7L435 S436 M453 I454 M457L435-F439 HydrophobicContact CD2-CE2 3.96Å; L435-F439 WeakPolarHBondContact O-CD2 3.49Å; L435-F439 PolarHBondContact O-N 2.67Å; L435-F439 VanDerWaalsContact O-N 3.09Å; S436-F439 PolarHBondContact O-N 2.62Å; F439-M453 HydrophobicContact CD1-CE 4.02Å; F439-M453 HydrophobicContact CE1-CE 3.38Å; F439-M453 HydrophobicContact CE2-CE 4.22Å; F439-M453 HydrophobicContact CZ-CE 3.52Å; F439-I454 HydrophobicContact CD2-CG1 4.28Å; F439-M457 HydrophobicContact CE2-SD 4.12Å; F439-M457 HydrophobicContact CZ-CE 4.09Å; F439-M457 HydrophobicContact CZ-SD 4.26Å
440N53.9Low51.6Low36 Ų3676.7 Ų76.719%0.19344%0.443CS..SBendtrans-131.4142.1176.1-53.3-45.8000111.5S436 S450S436-N440 WeakPolarHBondContact O-CB 3.49Å; S436-N440 PolarHBondContact O-N 3.03Å; S436-N440 PolarHBondContact O-ND2 2.63Å; N440-S450 PolarHBondContact OD1-OG 3.41Å; N440-S450 VanDerWaalsContact OD1-OG 3.08Å
441T42.6Very low51.4Low91 Ų9178.6 Ų78.656%0.55845%0.448SS*.  trans-71.3145.4165.214.90000111.1G443 D444T441-G443 PolarHBondContact O-N 2.88Å; T441-D444 PolarHBondContact O-N 3.01Å; T441-D444 PolarHBondContact OG1-OD2 3.27Å
442P37.6Very low51.1Low138 Ų13879.4 Ų79.490%0.89646%0.46SS*.THydrogen-bonded Turntrans-65.1106.4179.626.4-33.4000110.5
443G42.4Very low50.6Low83 Ų8378.9 Ų78.986%0.85646%0.463SS*.THydrogen-bonded Turntrans127.3-18.1-179.600000115.2T441T441-G443 PolarHBondContact O-N 2.88Å
444D43.4Very low50.7Low110 Ų11075.8 Ų75.859%0.58845%0.447SS*.  trans-87139.7-177.2-79-56.2000113.7T441 E446T441-D444 PolarHBondContact O-N 3.01Å; T441-D444 PolarHBondContact OG1-OD2 3.27Å; D444-E446 PolarHBondContact O-N 3.1Å
445K44Very low50.8Low205 Ų20574.6 Ų74.689%0.89145%0.451SS*.  trans-71.3127.2177.3-71.8-177.5177179.30111S447K445-S447 PolarHBondContact O-N 3.5Å; K445-S447 VanDerWaalsContact O-N 3.13Å
446E49Very low50.8Low71 Ų7178 Ų7833%0.33247%0.472SS..  trans-51.1112-177.6-65.8-174.1144.200114D444 K451D444-E446 PolarHBondContact O-N 3.1Å; E446-K451 HydrophobicContact CB-CD 4.25Å; E446-K451 HydrophobicContact CB-CG 4.07Å; E446-K451 WeakPolarHBondContact OE2-CE 3.1Å; E446-K451 IonicContact OE2-NZ 2.68Å
447S50.9Low50.8Low70 Ų7081.1 Ų81.149%0.4949%0.486SS..  trans-63148.9171.8176.80000112K445 A449 S450 K451K445-S447 PolarHBondContact O-N 3.5Å; K445-S447 VanDerWaalsContact O-N 3.13Å; S447-A449 PolarHBondContact O-N 3.26Å; S447-A449 PolarHBondContact OG-N 2.97Å; S447-S450 PolarHBondContact N-OG 3.34Å; S447-S450 PolarHBondContact O-N 3.03Å; S447-S450 VanDerWaalsContact O-N 3.14Å; S447-S450 PolarHBondContact O-OG 2.92Å; S447-K451 PolarHBondContact O-N 2.92Å
448A43Very low51.2Low84 Ų8477 Ų7769%0.69447%0.465SS*.Hα-helixtrans-58.2-32174.600000112.4G452A448-G452 PolarHBondContact O-N 3.05Å
449A44.2Very low51.7Low68 Ų6877.5 Ų77.556%0.56246%0.464SS*.Hα-helixtrans-69.5-42.4175.500000112.4S447 G452 M453S447-A449 PolarHBondContact O-N 3.26Å; S447-A449 PolarHBondContact OG-N 2.97Å; A449-G452 PolarHBondContact O-N 2.86Å; A449-M453 PolarHBondContact O-N 2.97Å
450S54.3Low52.2Low12 Ų1277.5 Ų77.58%0.08447%0.47CS..Hα-helixtrans-70.3-38.5176.3610000111.4N440 S447 G452 M453 I454N440-S450 PolarHBondContact OD1-OG 3.41Å; N440-S450 VanDerWaalsContact OD1-OG 3.08Å; S447-S450 PolarHBondContact N-OG 3.34Å; S447-S450 PolarHBondContact O-N 3.03Å; S447-S450 VanDerWaalsContact O-N 3.14Å; S447-S450 PolarHBondContact O-OG 2.92Å; S450-G452 VanDerWaalsContact C-N 3.32Å; S450-G452 PolarHBondContact O-N 3.05Å; S450-M453 PolarHBondContact O-N 3.33Å; S450-I454 WeakPolarHBondContact O-CB 3.4Å; S450-I454 WeakPolarHBondContact O-CD1 3.02Å; S450-I454 WeakPolarHBondContact O-CG1 3.43Å; S450-I454 PolarHBondContact O-N 2.96Å
451K55.3Low52.8Low81 Ų8178.5 Ų78.535%0.35247%0.474SS..Hα-helixtrans-55.4-44168.4-77.6172.6172.11570112.5E446 S447 A455E446-K451 HydrophobicContact CB-CD 4.25Å; E446-K451 HydrophobicContact CB-CG 4.07Å; E446-K451 WeakPolarHBondContact OE2-CE 3.1Å; E446-K451 IonicContact OE2-NZ 2.68Å; S447-K451 PolarHBondContact O-N 2.92Å; K451-A455 WeakPolarHBondContact O-CB 3.48Å; K451-A455 PolarHBondContact O-N 3.49Å
452G53.2Low54.2Low34 Ų3477.7 Ų77.735%0.35146%0.463SS..Hα-helixtrans-62.7-51.1176.200000112.7A448 A449 S450 I454 A455 V456A448-G452 PolarHBondContact O-N 3.05Å; A449-G452 PolarHBondContact O-N 2.86Å; S450-G452 VanDerWaalsContact C-N 3.32Å; S450-G452 PolarHBondContact O-N 3.05Å; G452-I454 PolarHBondContact O-N 3.06Å; G452-A455 PolarHBondContact O-N 3.46Å; G452-V456 WeakPolarHBondContact O-CG2 3.49Å; G452-V456 PolarHBondContact O-N 3.34Å
453M52Low55.9Low87 Ų8774 Ų7443%0.42943%0.434SS..Hα-helixtrans-62-40.8177.8-77-178.957.600113F439 A449 S450 A455 V456 M457F439-M453 HydrophobicContact CD1-CE 4.02Å; F439-M453 HydrophobicContact CE1-CE 3.38Å; F439-M453 HydrophobicContact CE2-CE 4.22Å; F439-M453 HydrophobicContact CZ-CE 3.52Å; A449-M453 PolarHBondContact O-N 2.97Å; S450-M453 PolarHBondContact O-N 3.33Å; M453-A455 VanDerWaalsContact C-N 3.34Å; M453-A455 PolarHBondContact O-N 2.78Å; M453-V456 PolarHBondContact O-N 3.03Å; M453-M457 WeakPolarHBondContact O-CB 3.42Å; M453-M457 PolarHBondContact O-N 3.13Å
454I60.5Low57.5Low0 Ų070.6 Ų70.60%040%0.397CS..Hα-helixtrans-62.5-42.5175.9-68.8162.7000110.3R432 L435 F439 S450 G452 T458R432-I454 HydrophobicContact CG-CG2 3.72Å; L435-I454 HydrophobicContact CB-CG1 4.35Å; F439-I454 HydrophobicContact CD2-CG1 4.28Å; S450-I454 WeakPolarHBondContact O-CB 3.4Å; S450-I454 WeakPolarHBondContact O-CD1 3.02Å; S450-I454 WeakPolarHBondContact O-CG1 3.43Å; S450-I454 PolarHBondContact O-N 2.96Å; G452-I454 PolarHBondContact O-N 3.06Å; I454-T458 VanDerWaalsContact O-CB 3.31Å; I454-T458 WeakPolarHBondContact O-CB 3.45Å; I454-T458 PolarHBondContact O-N 2.77Å; I454-T458 PolarHBondContact O-OG1 3.28Å
455A58.4Low59.3Low52 Ų5267 Ų6743%0.4338%0.375SS..Hα-helixtrans-64.6-44.917600000112.3K451 G452 M453 T458 F459K451-A455 WeakPolarHBondContact O-CB 3.48Å; K451-A455 PolarHBondContact O-N 3.49Å; G452-A455 PolarHBondContact O-N 3.46Å; M453-A455 VanDerWaalsContact C-N 3.34Å; M453-A455 PolarHBondContact O-N 2.78Å; A455-T458 PolarHBondContact O-N 3.47Å; A455-F459 WeakPolarHBondContact O-CB 3.38Å; A455-F459 PolarHBondContact O-N 3.24Å
456V60Low60.9Low92 Ų9258.9 Ų58.956%0.55834%0.344SS*.Hα-helixtrans-64.2-47.3178.2171.70000111.4G452 M453 T458 F459 V460G452-V456 WeakPolarHBondContact O-CG2 3.49Å; G452-V456 PolarHBondContact O-N 3.34Å; M453-V456 PolarHBondContact O-N 3.03Å; V456-T458 VanDerWaalsContact C-N 3.33Å; V456-T458 PolarHBondContact O-N 3.41Å; V456-F459 WeakPolarHBondContact O-CB 3.36Å; V456-F459 PolarHBondContact O-N 2.91Å; V456-V460 HydrophobicContact CG1-CG2 4.36Å; V456-V460 WeakPolarHBondContact O-CG2 3.45Å; V456-V460 PolarHBondContact O-N 3.3Å
457M59.7Low62.5Low81 Ų8159.5 Ų59.540%0.39935%0.349SS..Hα-helixtrans-64.1-38.3176.9-72.7-157.3176.200112L435 F439 M453 F459 V460 I461L435-M457 HydrophobicContact CD1-CB 4.01Å; L435-M457 HydrophobicContact CD2-CB 4.28Å; L435-M457 HydrophobicContact CD2-SD 3.6Å; F439-M457 HydrophobicContact CE2-SD 4.12Å; F439-M457 HydrophobicContact CZ-CE 4.09Å; F439-M457 HydrophobicContact CZ-SD 4.26Å; M453-M457 WeakPolarHBondContact O-CB 3.42Å; M453-M457 PolarHBondContact O-N 3.13Å; M457-F459 VanDerWaalsContact C-N 3.34Å; M457-F459 PolarHBondContact O-N 3.16Å; M457-V460 PolarHBondContact O-N 2.92Å; M457-I461 WeakPolarHBondContact O-CB 3.36Å; M457-I461 WeakPolarHBondContact O-CD1 3.35Å; M457-I461 WeakPolarHBondContact O-CG1 3.24Å; M457-I461 PolarHBondContact O-N 3.27Å
458T62.8Low64Low31 Ų3156.3 Ų56.319%0.1933%0.327CS..Hα-helixtrans-63.7-39.4174.3-53.50000111.6I454 A455 V456 F462I454-T458 VanDerWaalsContact O-CB 3.31Å; I454-T458 WeakPolarHBondContact O-CB 3.45Å; I454-T458 PolarHBondContact O-N 2.77Å; I454-T458 PolarHBondContact O-OG1 3.28Å; A455-T458 PolarHBondContact O-N 3.47Å; V456-T458 VanDerWaalsContact C-N 3.33Å; V456-T458 PolarHBondContact O-N 3.41Å; T458-F462 WeakPolarHBondContact O-CB 3.22Å; T458-F462 PolarHBondContact O-N 3.49Å
459F64.2Low66Low128 Ų12852.5 Ų52.556%0.56129%0.294SS*.Hα-helixtrans-66.2-46176-179.4-92.9000112.2A455 V456 M457 F462 H463A455-F459 WeakPolarHBondContact O-CB 3.38Å; A455-F459 PolarHBondContact O-N 3.24Å; V456-F459 WeakPolarHBondContact O-CB 3.36Å; V456-F459 PolarHBondContact O-N 2.91Å; M457-F459 VanDerWaalsContact C-N 3.34Å; M457-F459 PolarHBondContact O-N 3.16Å; F459-F462 PolarHBondContact O-N 3.28Å; F459-F462 VanDerWaalsContact O-N 3.17Å; F459-H463 AromaticContact CD2-CD2 3.66Å; F459-H463 AromaticContact CD2-NE2 3.97Å; F459-H463 AromaticContact CE1-CD2 3.88Å; F459-H463 AromaticContact CE2-CD2 3.34Å; F459-H463 WeakPolarHBondContact CE2-CD2 3.45Å; F459-H463 AromaticContact CE2-NE2 3.35Å; F459-H463 VanDerWaalsContact CE2-NE2 3.35Å; F459-H463 WeakPolarHBondContact CE2-NE2 3.3Å; F459-H463 AromaticContact CZ-CD2 3.45Å; F459-H463 VanDerWaalsContact CZ-CD2 3.45Å; F459-H463 WeakPolarHBondContact CZ-CD2 3.31Å; F459-H463 AromaticContact CZ-NE2 3.68Å; F459-H463 PolarHBondContact O-CD2 2.9Å; F459-H463 PolarHBondContact O-N 2.97Å
460V63.9Low67.7Low74 Ų7452.5 Ų52.545%0.44829%0.287SS..Hα-helixtrans-62.4-43.5177.11710000111.1V456 M457 F462 H463 S464V456-V460 HydrophobicContact CG1-CG2 4.36Å; V456-V460 WeakPolarHBondContact O-CG2 3.45Å; V456-V460 PolarHBondContact O-N 3.3Å; M457-V460 PolarHBondContact O-N 2.92Å; V460-F462 VanDerWaalsContact C-N 3.29Å; V460-F462 PolarHBondContact O-N 3.34Å; V460-H463 PolarHBondContact O-N 3.35Å; V460-S464 WeakPolarHBondContact O-CA 3.36Å; V460-S464 WeakPolarHBondContact O-CB 3.41Å; V460-S464 PolarHBondContact O-N 3.39Å
461I67.3Low69Low56 Ų5652.4 Ų52.429%0.28729%0.287SS..Hα-helixtrans-61.2-38.8175.1-69.3165.3000110.9L435 M457 S464 L573L435-I461 HydrophobicContact CD1-CD1 4.38Å; M457-I461 WeakPolarHBondContact O-CB 3.36Å; M457-I461 WeakPolarHBondContact O-CD1 3.35Å; M457-I461 WeakPolarHBondContact O-CG1 3.24Å; M457-I461 PolarHBondContact O-N 3.27Å; I461-S464 WeakPolarHBondContact O-CB 3.4Å; I461-S464 PolarHBondContact O-OG 3.19Å; I461-L573 HydrophobicContact CG2-CD2 4.26Å
462F71.9Confident70.5Confident75 Ų7548.8 Ų48.833%0.32927%0.272SS..Hα-helixtrans-71.4-40.2178.4-171.6-106.5000113.8T458 F459 V460 Y465T458-F462 WeakPolarHBondContact O-CB 3.22Å; T458-F462 PolarHBondContact O-N 3.49Å; F459-F462 PolarHBondContact O-N 3.28Å; F459-F462 VanDerWaalsContact O-N 3.17Å; V460-F462 VanDerWaalsContact C-N 3.29Å; V460-F462 PolarHBondContact O-N 3.34Å; F462-Y465 WeakPolarHBondContact O-CD1 3.37Å
463H72.9Confident71.8Confident61 Ų6148.9 Ų48.928%0.28226%0.264SS..Hα-helixtrans-88-1.6179.3-76.8-85.5000114.5F459 V460 Y465 S466F459-H463 AromaticContact CD2-CD2 3.66Å; F459-H463 AromaticContact CD2-NE2 3.97Å; F459-H463 AromaticContact CE1-CD2 3.88Å; F459-H463 AromaticContact CE2-CD2 3.34Å; F459-H463 WeakPolarHBondContact CE2-CD2 3.45Å; F459-H463 AromaticContact CE2-NE2 3.35Å; F459-H463 VanDerWaalsContact CE2-NE2 3.35Å; F459-H463 WeakPolarHBondContact CE2-NE2 3.3Å; F459-H463 AromaticContact CZ-CD2 3.45Å; F459-H463 VanDerWaalsContact CZ-CD2 3.45Å; F459-H463 WeakPolarHBondContact CZ-CD2 3.31Å; F459-H463 AromaticContact CZ-NE2 3.68Å; F459-H463 PolarHBondContact O-CD2 2.9Å; F459-H463 PolarHBondContact O-N 2.97Å; V460-H463 PolarHBondContact O-N 3.35Å; H463-Y465 PolarHBondContact O-N 3.36Å; H463-S466 WeakPolarHBondContact O-CB 3.2Å; H463-S466 PolarHBondContact O-N 3.45Å; H463-S466 PolarHBondContact O-OG 3.41Å
464S75.8Confident73.1Confident10 Ų1047.2 Ų47.27%0.0726%0.258CS..Hα-helixtrans-47.1-33.117957.90000115.4V460 I461 S466 I467 A468 L573V460-S464 WeakPolarHBondContact O-CA 3.36Å; V460-S464 WeakPolarHBondContact O-CB 3.41Å; V460-S464 PolarHBondContact O-N 3.39Å; I461-S464 WeakPolarHBondContact O-CB 3.4Å; I461-S464 PolarHBondContact O-OG 3.19Å; S464-S466 VanDerWaalsContact C-N 3.26Å; S464-S466 PolarHBondContact O-N 3.18Å; S464-I467 WeakPolarHBondContact O-CB 3.4Å; S464-I467 PolarHBondContact O-N 3.3Å; S464-I467 VanDerWaalsContact O-N 3.13Å; S464-A468 PolarHBondContact O-N 2.82Å; S464-L573 WeakPolarHBondContact OG-CD1 3.41Å
465Y82.9Confident74.3Confident36 Ų3647.9 Ų47.914%0.14126%0.261CS..Hα-helixtrans-61.7-32.4176.478.4-87.2000112.9F462 H463 I467 A468 L469 T500 R501F462-Y465 WeakPolarHBondContact O-CD1 3.37Å; H463-Y465 PolarHBondContact O-N 3.36Å; Y465-I467 VanDerWaalsContact C-N 3.33Å; Y465-A468 PolarHBondContact O-N 3.12Å; Y465-L469 HydrophobicContact CD2-CD1 4.12Å; Y465-L469 HydrophobicContact CE2-CD1 4.37Å; Y465-L469 WeakPolarHBondContact O-CG 3.43Å; Y465-L469 PolarHBondContact O-N 2.92Å; Y465-T500 VanDerWaalsContact CE2-OG1 3.26Å; Y465-T500 WeakPolarHBondContact CE2-OG1 3.38Å; Y465-T500 PolarHBondContact OH-OG1 3.07Å; Y465-R501 HydrophobicContact CD1-CB 3.87Å; Y465-R501 HydrophobicContact CD1-CG 3.81Å; Y465-R501 HydrophobicContact CD2-CB 4.29Å; Y465-R501 HydrophobicContact CE1-CB 3.85Å; Y465-R501 HydrophobicContact CE1-CG 4.2Å; Y465-R501 HydrophobicContact CE2-CB 4.28Å; Y465-R501 HydrophobicContact CG-CB 4.1Å; Y465-R501 HydrophobicContact CG-CG 4.15Å
466S77.6Confident75.4Confident34 Ų3445.4 Ų45.424%0.23824%0.241CC..Hα-helixtrans-70.2-31.3176.766.80000112.2H463 S464 L469 T470H463-S466 WeakPolarHBondContact O-CB 3.2Å; H463-S466 PolarHBondContact O-N 3.45Å; H463-S466 PolarHBondContact O-OG 3.41Å; S464-S466 VanDerWaalsContact C-N 3.26Å; S464-S466 PolarHBondContact O-N 3.18Å; S466-L469 PolarHBondContact O-N 2.9Å; S466-T470 WeakPolarHBondContact O-CG2 3.41Å; S466-T470 PolarHBondContact O-N 3.25Å; S466-T470 PolarHBondContact O-OG1 2.9Å
467I82.1Confident76.2Confident84 Ų8442.2 Ų42.243%0.43122%0.22SC..Hα-helixtrans-67.2-39.3173.1-58.4173000109.9S464 Y465 T470 A471 P566S464-I467 WeakPolarHBondContact O-CB 3.4Å; S464-I467 PolarHBondContact O-N 3.3Å; S464-I467 VanDerWaalsContact O-N 3.13Å; Y465-I467 VanDerWaalsContact C-N 3.33Å; I467-T470 WeakPolarHBondContact CA-OG1 3.35Å; I467-T470 PolarHBondContact O-N 3.3Å; I467-T470 PolarHBondContact O-OG1 3.14Å; I467-T470 VanDerWaalsContact O-OG1 3.05Å; I467-A471 VanDerWaalsContact O-CB 3.29Å; I467-A471 WeakPolarHBondContact O-CB 3.5Å; I467-A471 PolarHBondContact O-N 3.37Å; I467-P566 HydrophobicContact CG2-CB 4.34Å; I467-P566 HydrophobicContact CG2-CG 4.35Å
468A81.2Confident76.9Confident3 Ų343.4 Ų43.43%0.02523%0.227CC..Hα-helixtrans-67.4-40.7174.100000112.8S464 Y465 A471 M472 L570S464-A468 PolarHBondContact O-N 2.82Å; Y465-A468 PolarHBondContact O-N 3.12Å; A468-A471 PolarHBondContact O-N 3.11Å; A468-M472 WeakPolarHBondContact O-CG 3.45Å; A468-M472 PolarHBondContact O-N 3.03Å; A468-M472 VanDerWaalsContact O-N 3.08Å; A468-L570 HydrophobicContact CB-CD1 4.1Å; A468-L570 HydrophobicContact CB-CD2 4.21Å
469L85Confident77.4Confident3 Ų344.5 Ų44.52%0.01623%0.228CC..Hα-helixtrans-63-41.4174.5-67.4176.7000112.2Y465 S466 M472 M473 T491 L494Y465-L469 HydrophobicContact CD2-CD1 4.12Å; Y465-L469 HydrophobicContact CE2-CD1 4.37Å; Y465-L469 WeakPolarHBondContact O-CG 3.43Å; Y465-L469 PolarHBondContact O-N 2.92Å; S466-L469 PolarHBondContact O-N 2.9Å; L469-M472 HydrophobicContact CD2-CE 3.66Å; L469-M472 PolarHBondContact O-N 3.03Å; L469-M473 PolarHBondContact O-N 3.46Å; L469-T491 HydrophobicContact CB-CG2 4.33Å; L469-L494 HydrophobicContact CD2-CB 4.13Å; L469-L494 HydrophobicContact CD2-CD1 3.66Å
470T79.8Confident78Confident68 Ų6841.3 Ų41.342%0.41722%0.215SC..Hα-helixtrans-72-31.9176.3470000112.7S466 I467 M473 T474S466-T470 WeakPolarHBondContact O-CG2 3.41Å; S466-T470 PolarHBondContact O-N 3.25Å; S466-T470 PolarHBondContact O-OG1 2.9Å; I467-T470 WeakPolarHBondContact CA-OG1 3.35Å; I467-T470 PolarHBondContact O-N 3.3Å; I467-T470 PolarHBondContact O-OG1 3.14Å; I467-T470 VanDerWaalsContact O-OG1 3.05Å; T470-M473 PolarHBondContact O-N 3.11Å; T470-T474 WeakPolarHBondContact O-CB 3.37Å; T470-T474 WeakPolarHBondContact O-CG2 3.45Å; T470-T474 PolarHBondContact O-N 3.04Å; T470-T474 PolarHBondContact O-OG1 3.49Å
471A82.4Confident78.6Confident10 Ų1038.4 Ų38.48%0.08320%0.198CC..Hα-helixtrans-63-38.4170.700000112.4I467 A468 T474 W475 P566I467-A471 VanDerWaalsContact O-CB 3.29Å; I467-A471 WeakPolarHBondContact O-CB 3.5Å; I467-A471 PolarHBondContact O-N 3.37Å; A468-A471 PolarHBondContact O-N 3.11Å; A471-T474 VanDerWaalsContact CA-OG1 3.32Å; A471-T474 WeakPolarHBondContact CA-OG1 3.31Å; A471-T474 PolarHBondContact O-OG1 3.24Å; A471-W475 WeakPolarHBondContact O-CB 3.22Å; A471-W475 PolarHBondContact O-N 3.45Å; A471-P566 HydrophobicContact CB-CG 4.47Å
472M86Confident79.4Confident6 Ų638.3 Ų38.33%0.0320%0.198CC..Hα-helixtrans-70.2-41173.9-68.4-172.9-60.100112.6A468 L469 W475 A476 L487 I511A468-M472 WeakPolarHBondContact O-CG 3.45Å; A468-M472 PolarHBondContact O-N 3.03Å; A468-M472 VanDerWaalsContact O-N 3.08Å; L469-M472 HydrophobicContact CD2-CE 3.66Å; L469-M472 PolarHBondContact O-N 3.03Å; M472-W475 PolarHBondContact O-N 3.35Å; M472-A476 PolarHBondContact O-N 3.43Å; M472-L487 HydrophobicContact CB-CD2 4.43Å; M472-L487 HydrophobicContact CG-CD2 4.31Å; M472-L487 HydrophobicContact SD-CD2 4.13Å; M472-I511 HydrophobicContact CE-CD1 4.32Å; M472-I511 HydrophobicContact SD-CD1 4.15Å; M472-I511 HydrophobicContact SD-CG1 4.45Å; M472-I511 HydrophobicContact SD-CG2 3.65Å
473M81.6Confident79.8Confident36 Ų3637.6 Ų37.618%0.17720%0.195CC..Hα-helixtrans-59.1-45.2173.1-179.266.374.400111.5L469 T470 A476 L477 L488 T491L469-M473 PolarHBondContact O-N 3.46Å; T470-M473 PolarHBondContact O-N 3.11Å; M473-A476 PolarHBondContact O-N 3.44Å; M473-L477 HydrophobicContact CG-CD1 4.18Å; M473-L477 WeakPolarHBondContact O-CG 3.36Å; M473-L477 PolarHBondContact O-N 3.17Å; M473-L477 VanDerWaalsContact O-N 3.15Å; M473-L477 HydrophobicContact SD-CD1 4.4Å; M473-L488 HydrophobicContact CE-CD1 3.86Å; M473-L488 HydrophobicContact SD-CD1 3.32Å; M473-L488 WeakPolarHBondContact SD-CD1 3.15Å; M473-T491 HydrophobicContact CB-CG2 4.34Å; M473-T491 HydrophobicContact CE-CG2 3.76Å
474T80.2Confident80.1Confident51 Ų5134.7 Ų34.731%0.31318%0.181SC..Hα-helixtrans-69.4-36.217845.50000112.5T470 A471 A476 L477 L478T470-T474 WeakPolarHBondContact O-CB 3.37Å; T470-T474 WeakPolarHBondContact O-CG2 3.45Å; T470-T474 PolarHBondContact O-N 3.04Å; T470-T474 PolarHBondContact O-OG1 3.49Å; A471-T474 VanDerWaalsContact CA-OG1 3.32Å; A471-T474 WeakPolarHBondContact CA-OG1 3.31Å; A471-T474 PolarHBondContact O-OG1 3.24Å; T474-A476 VanDerWaalsContact C-N 3.33Å; T474-A476 PolarHBondContact O-N 3.27Å; T474-L477 PolarHBondContact O-N 3.3Å; T474-L478 VanDerWaalsContact O-CB 3.32Å; T474-L478 WeakPolarHBondContact O-CB 3.19Å; T474-L478 VanDerWaalsContact O-CG 3.23Å; T474-L478 WeakPolarHBondContact O-CG 3.45Å; T474-L478 PolarHBondContact O-N 3.05Å
475W85.4Confident80.5Confident15 Ų1536.2 Ų36.26%0.05719%0.188CC..Hα-helixtrans-57.9-45.7170.5-170.4-59.3000111.5A471 M472 L477 L478 Y479 L487 L518 Q560 L563 T564A471-W475 WeakPolarHBondContact O-CB 3.22Å; A471-W475 PolarHBondContact O-N 3.45Å; M472-W475 PolarHBondContact O-N 3.35Å; W475-L477 VanDerWaalsContact C-N 3.3Å; W475-L477 PolarHBondContact O-N 2.99Å; W475-L478 PolarHBondContact O-N 3.04Å; W475-Y479 HydrophobicContact CG-CD2 4.37Å; W475-Y479 PolarHBondContact O-N 3.26Å; W475-L487 HydrophobicContact CB-CD1 4.21Å; W475-L487 HydrophobicContact CG-CD1 3.96Å; W475-L518 HydrophobicContact CZ2-CB 4.38Å; W475-L518 HydrophobicContact CZ2-CD1 4.36Å; W475-Q560 HydrophobicContact CH2-CB 3.69Å; W475-Q560 HydrophobicContact CH2-CG 3.66Å; W475-Q560 HydrophobicContact CZ2-CB 4.46Å; W475-Q560 HydrophobicContact CZ2-CG 3.94Å; W475-Q560 HydrophobicContact CZ3-CB 4Å; W475-Q560 HydrophobicContact CZ3-CG 4.15Å; W475-L563 HydrophobicContact CE3-CB 3.81Å; W475-L563 HydrophobicContact CE3-CD1 4.09Å; W475-L563 HydrophobicContact CZ3-CB 4.1Å; W475-T564 HydrophobicContact CH2-CG2 4.35Å; W475-T564 HydrophobicContact CZ3-CG2 3.89Å
476A80.5Confident80.7Confident0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-65.1-29.9179.900000114.4M472 M473 T474 G484 L487 L488 Y701M472-A476 PolarHBondContact O-N 3.43Å; M473-A476 PolarHBondContact O-N 3.44Å; T474-A476 VanDerWaalsContact C-N 3.33Å; T474-A476 PolarHBondContact O-N 3.27Å; A476-G484 WeakPolarHBondContact CB-O 3.41Å; A476-L487 HydrophobicContact CB-CB 4.17Å; A476-L488 HydrophobicContact CB-CB 3.98Å; A476-Y701 PolarHBondContact O-OH 3.03Å; A476-Y701 VanDerWaalsContact O-OH 3.07Å
477L76.6Confident81Confident25 Ų2537.2 Ų37.213%0.13119%0.193CC..Hα-helixtrans-85.7-33.2177.9-68.2170.6000112.8M473 T474 W475 F741M473-L477 HydrophobicContact CG-CD1 4.18Å; M473-L477 WeakPolarHBondContact O-CG 3.36Å; M473-L477 PolarHBondContact O-N 3.17Å; M473-L477 VanDerWaalsContact O-N 3.15Å; M473-L477 HydrophobicContact SD-CD1 4.4Å; T474-L477 PolarHBondContact O-N 3.3Å; W475-L477 VanDerWaalsContact C-N 3.3Å; W475-L477 PolarHBondContact O-N 2.99Å; L477-F741 HydrophobicContact CB-CD2 4.49Å; L477-F741 HydrophobicContact CD1-CD2 4.38Å; L477-F741 HydrophobicContact CD1-CE2 4.33Å
478L74.8Confident81.1Confident105 Ų10533.8 Ų33.855%0.5518%0.175SC..Hα-helixtrans-77.8-35.2178.5-72.4169.5000113T474 W475 L563T474-L478 VanDerWaalsContact O-CB 3.32Å; T474-L478 WeakPolarHBondContact O-CB 3.19Å; T474-L478 VanDerWaalsContact O-CG 3.23Å; T474-L478 WeakPolarHBondContact O-CG 3.45Å; T474-L478 PolarHBondContact O-N 3.05Å; W475-L478 PolarHBondContact O-N 3.04Å; L478-L563 HydrophobicContact CD1-CD1 4.15Å
479Y73.6Confident81.3Confident54 Ų5437.7 Ų37.721%0.21219%0.194CC..SBendtrans-120.477.1-175.7-60-69.2000110.4W475 S481 I556 V559 Q560W475-Y479 HydrophobicContact CG-CD2 4.37Å; W475-Y479 PolarHBondContact O-N 3.26Å; Y479-S481 PolarHBondContact O-N 3.05Å; Y479-S481 PolarHBondContact O-OG 3.21Å; Y479-I556 HydrophobicContact CE1-CG2 4.25Å; Y479-V559 WeakPolarHBondContact OH-CG1 3.41Å; Y479-Q560 HydrophobicContact CE2-CG 3.88Å
480H76Confident81.2Confident61 Ų6140.3 Ų40.328%0.28221%0.208SC..  trans-59.1106.3-178.1178.6-81.1000111.7F705H480-F705 AromaticContact CE1-CD1 3.77Å; H480-F705 AromaticContact CE1-CE1 3.58Å; H480-F705 AromaticContact CE1-CE2 3.86Å; H480-F705 AromaticContact CE1-CG 3.99Å; H480-F705 AromaticContact CE1-CZ 3.63Å; H480-F705 AromaticContact NE2-CE2 3.74Å; H480-F705 AromaticContact NE2-CZ 3.86Å
481S78.2Confident81.4Confident13 Ų1337.1 Ų37.19%0.09119%0.189CC..SBendtrans-159.1163.8-176.157.40000110.1Y479 F483 G484 L485 G543Y479-S481 PolarHBondContact O-N 3.05Å; Y479-S481 PolarHBondContact O-OG 3.21Å; S481-F483 PolarHBondContact O-N 3.05Å; S481-G484 WeakPolarHBondContact O-CA 3.4Å; S481-G484 PolarHBondContact O-N 3.04Å; S481-G484 PolarHBondContact OG-N 2.88Å; S481-L485 PolarHBondContact O-N 3.41Å; S481-G543 WeakPolarHBondContact CB-O 3.49Å
482I82Confident81.2Confident54 Ų5438.3 Ų38.328%0.27720%0.196SC..Hα-helixtrans-59.6-33.1171-66.8-174.4000110.9L485 I486 F541 V542 F705I482-L485 WeakPolarHBondContact O-CB 3.48Å; I482-L485 PolarHBondContact O-N 3.37Å; I482-I486 PolarHBondContact O-N 3.47Å; I482-F541 HydrophobicContact CD1-CD1 4.11Å; I482-F541 HydrophobicContact CD1-CE1 4.01Å; I482-F541 WeakPolarHBondContact CD1-O 3.33Å; I482-V542 PolarHBondContact N-O 2.98Å; I482-F705 HydrophobicContact CG1-CE1 3.88Å; I482-F705 HydrophobicContact CG1-CZ 4.2Å
483F81.8Confident81Confident61 Ų6142 Ų4227%0.26822%0.215SC..Hα-helixtrans-67.7-35174.2-62.5-56000112.6S481 Y514 V542 I544S481-F483 PolarHBondContact O-N 3.05Å; F483-Y514 WeakPolarHBondContact CB-OH 3.28Å; F483-Y514 VanDerWaalsContact CD1-OH 3.29Å; F483-Y514 WeakPolarHBondContact CD1-OH 3.45Å; F483-V542 HydrophobicContact CD2-CG1 3.99Å; F483-V542 HydrophobicContact CE2-CG1 3.47Å; F483-V542 VanDerWaalsContact CE2-CG1 3.47Å; F483-V542 HydrophobicContact CZ-CG1 4.17Å; F483-I544 HydrophobicContact CD2-CD1 4.07Å; F483-I544 HydrophobicContact CE2-CD1 3.7Å
484G79.1Confident81.1Confident0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-65.1-42.8169.400000113.2A476 S481 I486 L487 L488A476-G484 WeakPolarHBondContact CB-O 3.41Å; S481-G484 WeakPolarHBondContact O-CA 3.4Å; S481-G484 PolarHBondContact O-N 3.04Å; S481-G484 PolarHBondContact OG-N 2.88Å; G484-I486 PolarHBondContact O-N 3.04Å; G484-L487 WeakPolarHBondContact O-CB 3.33Å; G484-L487 PolarHBondContact O-N 3.31Å; G484-L488 PolarHBondContact O-N 3.44Å
485L83.6Confident81Confident41 Ų4142 Ų4222%0.21521%0.208CC..Hα-helixtrans-56.3-38.1177.1179.261.2000112.4S481 I482 L487 L488 I489 Y701S481-L485 PolarHBondContact O-N 3.41Å; I482-L485 WeakPolarHBondContact O-CB 3.48Å; I482-L485 PolarHBondContact O-N 3.37Å; L485-L487 PolarHBondContact O-N 2.92Å; L485-L488 HydrophobicContact CD1-CD2 4.43Å; L485-L488 PolarHBondContact O-N 2.87Å; L485-I489 HydrophobicContact CD1-CD1 3.85Å; L485-I489 HydrophobicContact CD1-CG1 4.06Å; L485-I489 HydrophobicContact CD2-CD1 4.5Å; L485-I489 HydrophobicContact CG-CD1 3.85Å; L485-I489 HydrophobicContact CG-CG1 4.43Å; L485-I489 WeakPolarHBondContact O-CG1 3.35Å; L485-I489 PolarHBondContact O-N 2.91Å; L485-Y701 HydrophobicContact CB-CE1 4.01Å; L485-Y701 HydrophobicContact CD1-CD1 3.85Å; L485-Y701 HydrophobicContact CD1-CE1 3.78Å; L485-Y701 HydrophobicContact CG-CE1 4.42Å
486I86.3Confident80.7Confident88 Ų8846.4 Ų46.445%0.45123%0.231SC..Hα-helixtrans-61.9-42.7175.8-65.8167.6000110.9I482 G484 L490I482-I486 PolarHBondContact O-N 3.47Å; G484-I486 PolarHBondContact O-N 3.04Å; I486-L490 WeakPolarHBondContact O-CB 3.34Å; I486-L490 PolarHBondContact O-N 3.23Å
487L85.6Confident80.6Confident4 Ų451.3 Ų51.32%0.02125%0.253CS..Hα-helixtrans-67-37.8176.1-65.4174.1000112.3M472 W475 A476 G484 L485 T491 Y514M472-L487 HydrophobicContact CB-CD2 4.43Å; M472-L487 HydrophobicContact CG-CD2 4.31Å; M472-L487 HydrophobicContact SD-CD2 4.13Å; W475-L487 HydrophobicContact CB-CD1 4.21Å; W475-L487 HydrophobicContact CG-CD1 3.96Å; A476-L487 HydrophobicContact CB-CB 4.17Å; G484-L487 WeakPolarHBondContact O-CB 3.33Å; G484-L487 PolarHBondContact O-N 3.31Å; L485-L487 PolarHBondContact O-N 2.92Å; L487-T491 WeakPolarHBondContact O-CB 3.4Å; L487-T491 PolarHBondContact O-N 3.06Å; L487-T491 PolarHBondContact O-OG1 2.79Å; L487-Y514 HydrophobicContact CD2-CD1 4.4Å; L487-Y514 HydrophobicContact CD2-CE1 4.15Å; L487-Y514 HydrophobicContact CG-CE1 4.37Å
488L83.8Confident80.4Confident11 Ų1161.1 Ų61.16%0.05829%0.288CS..Hα-helixtrans-63.4-51.5176.2177.561.2000111.7M473 A476 G484 L485 T491 C492 Y701M473-L488 HydrophobicContact CE-CD1 3.86Å; M473-L488 HydrophobicContact SD-CD1 3.32Å; M473-L488 WeakPolarHBondContact SD-CD1 3.15Å; A476-L488 HydrophobicContact CB-CB 3.98Å; G484-L488 PolarHBondContact O-N 3.44Å; L485-L488 HydrophobicContact CD1-CD2 4.43Å; L485-L488 PolarHBondContact O-N 2.87Å; L488-T491 PolarHBondContact O-N 3.33Å; L488-C492 PolarHBondContact O-N 2.94Å; L488-C492 PolarHBondContact O-SG 2.93Å; L488-Y701 HydrophobicContact CD2-CD1 4.08Å; L488-Y701 HydrophobicContact CD2-CD2 3.61Å; L488-Y701 HydrophobicContact CD2-CE1 4.26Å; L488-Y701 HydrophobicContact CD2-CE2 3.79Å; L488-Y701 HydrophobicContact CD2-CG 3.76Å
489I84.2Confident80.4Confident85 Ų8561.5 Ų61.544%0.43629%0.291SS..Hα-helixtrans-62.1-47.5178.5-69.4171.4000110.4L485 T491 C492 I493L485-I489 HydrophobicContact CD1-CD1 3.85Å; L485-I489 HydrophobicContact CD1-CG1 4.06Å; L485-I489 HydrophobicContact CD2-CD1 4.5Å; L485-I489 HydrophobicContact CG-CD1 3.85Å; L485-I489 HydrophobicContact CG-CG1 4.43Å; L485-I489 WeakPolarHBondContact O-CG1 3.35Å; L485-I489 PolarHBondContact O-N 2.91Å; I489-T491 PolarHBondContact O-N 3.34Å; I489-C492 PolarHBondContact O-N 3.26Å; I489-I493 HydrophobicContact CG2-CD1 3.68Å; I489-I493 HydrophobicContact CG2-CG1 4.42Å; I489-I493 WeakPolarHBondContact O-CG1 3.41Å; I489-I493 PolarHBondContact O-N 3.39Å
490L84.5Confident80.7Confident58 Ų5860.1 Ų60.130%0.30429%0.288SS..Hα-helixtrans-57.1-40.8177.2-176.765.1000111I486 L494I486-L490 WeakPolarHBondContact O-CB 3.34Å; I486-L490 PolarHBondContact O-N 3.23Å; L490-L494 HydrophobicContact CD1-CD1 4.18Å; L490-L494 HydrophobicContact CD1-CG 4.42Å; L490-L494 HydrophobicContact CG-CD1 3.89Å; L490-L494 VanDerWaalsContact O-CB 3.29Å; L490-L494 WeakPolarHBondContact O-CB 3.35Å; L490-L494 WeakPolarHBondContact O-CG 3.15Å; L490-L494 PolarHBondContact O-N 3.48Å
491T83Confident81Confident1 Ų160.2 Ų60.21%0.00629%0.286CS..Hα-helixtrans-69.8-44178.4-54.30000112.1L469 M473 L487 L488 I489 I493 L494 W495L469-T491 HydrophobicContact CB-CG2 4.33Å; M473-T491 HydrophobicContact CB-CG2 4.34Å; M473-T491 HydrophobicContact CE-CG2 3.76Å; L487-T491 WeakPolarHBondContact O-CB 3.4Å; L487-T491 PolarHBondContact O-N 3.06Å; L487-T491 PolarHBondContact O-OG1 2.79Å; L488-T491 PolarHBondContact O-N 3.33Å; I489-T491 PolarHBondContact O-N 3.34Å; T491-I493 VanDerWaalsContact C-N 3.34Å; T491-I493 PolarHBondContact O-N 3.19Å; T491-L494 PolarHBondContact O-N 3.01Å; T491-W495 VanDerWaalsContact O-CD1 3.29Å; T491-W495 PolarHBondContact O-N 3.08Å
492C78.6Confident81.1Confident36 Ų3667.5 Ų67.524%0.24332%0.316CS..Hα-helixtrans-59.1-44.4176.6-65.60000111.8L488 I489 W495 I496L488-C492 PolarHBondContact O-N 2.94Å; L488-C492 PolarHBondContact O-SG 2.93Å; I489-C492 PolarHBondContact O-N 3.26Å; C492-W495 PolarHBondContact O-N 2.83Å; C492-I496 WeakPolarHBondContact O-CG1 3.21Å; C492-I496 PolarHBondContact O-N 3.49Å
493I82.1Confident81.2Confident82 Ų8266.7 Ų66.742%0.42132%0.315SS..Hα-helixtrans-63.7-45.8175.6-67.4170.9000111I489 T491 W495 I496 F497I489-I493 HydrophobicContact CG2-CD1 3.68Å; I489-I493 HydrophobicContact CG2-CG1 4.42Å; I489-I493 WeakPolarHBondContact O-CG1 3.41Å; I489-I493 PolarHBondContact O-N 3.39Å; T491-I493 VanDerWaalsContact C-N 3.34Å; T491-I493 PolarHBondContact O-N 3.19Å; I493-W495 PolarHBondContact O-N 3Å; I493-I496 PolarHBondContact O-N 3.14Å; I493-F497 HydrophobicContact CG2-CD2 4.47Å; I493-F497 HydrophobicContact CG2-CE2 3.72Å; I493-F497 HydrophobicContact CG2-CZ 4.25Å; I493-F497 WeakPolarHBondContact O-CD2 3.2Å
494L82.7Confident81.3Confident8 Ų864 Ų644%0.04230%0.303CS..Hα-helixtrans-62.4-27.7179-75.5171.3000113.2L469 L490 T491 T500L469-L494 HydrophobicContact CD2-CB 4.13Å; L469-L494 HydrophobicContact CD2-CD1 3.66Å; L490-L494 HydrophobicContact CD1-CD1 4.18Å; L490-L494 HydrophobicContact CD1-CG 4.42Å; L490-L494 HydrophobicContact CG-CD1 3.89Å; L490-L494 VanDerWaalsContact O-CB 3.29Å; L490-L494 WeakPolarHBondContact O-CB 3.35Å; L490-L494 WeakPolarHBondContact O-CG 3.15Å; L490-L494 PolarHBondContact O-N 3.48Å; T491-L494 PolarHBondContact O-N 3.01Å; L494-T500 WeakPolarHBondContact O-CG2 3.36Å
495W79.6Confident81.6Confident80 Ų8065.4 Ų65.430%0.30331%0.31SS..Hα-helixtrans-80.5-28.6175.3-88.777.6000114.4T491 C492 I493 F497 K759T491-W495 VanDerWaalsContact O-CD1 3.29Å; T491-W495 PolarHBondContact O-N 3.08Å; C492-W495 PolarHBondContact O-N 2.83Å; I493-W495 PolarHBondContact O-N 3Å; W495-F497 VanDerWaalsContact C-N 3.33Å; W495-K759 PolarHBondContact O-NZ 2.98Å
496I77.7Confident81.6Confident107 Ų10766.6 Ų66.655%0.54933%0.326SS..Hα-helixtrans-68-33.9178.2-71.1164.8000111.2C492 I493C492-I496 WeakPolarHBondContact O-CG1 3.21Å; C492-I496 PolarHBondContact O-N 3.49Å; I493-I496 PolarHBondContact O-N 3.14Å
497F78.6Confident81.6Confident103 Ų10366.7 Ų66.745%0.45233%0.325SS..SBendtrans-57.8153.1179-72.6-59.3000114.3I493 W495 K759I493-F497 HydrophobicContact CG2-CD2 4.47Å; I493-F497 HydrophobicContact CG2-CE2 3.72Å; I493-F497 HydrophobicContact CG2-CZ 4.25Å; I493-F497 WeakPolarHBondContact O-CD2 3.2Å; W495-F497 VanDerWaalsContact C-N 3.33Å; F497-K759 PolarHBondContact O-NZ 3.46Å
498R72.1Confident81.6Confident232 Ų23266.5 Ų66.588%0.87532%0.324SS*.SBendtrans-71.7-40.6178.6-179171.9154.1162.6-5.9112.9
499D74.9Confident81.5Confident112 Ų11268.7 Ų68.760%0.59934%0.339SS*.  trans-11675.1-178.4-74.3-20.8000112.5R501D499-R501 PolarHBondContact O-N 3.32Å
500T80.7Confident81.7Confident25 Ų2569.4 Ų69.415%0.15334%0.343CS..Hα-helixtrans-59.2-44-17257.10000114.8Y465 L494 K502 S503 S504Y465-T500 VanDerWaalsContact CE2-OG1 3.26Å; Y465-T500 WeakPolarHBondContact CE2-OG1 3.38Å; Y465-T500 PolarHBondContact OH-OG1 3.07Å; L494-T500 WeakPolarHBondContact O-CG2 3.36Å; T500-K502 PolarHBondContact O-N 3.12Å; T500-S503 PolarHBondContact O-N 3.36Å; T500-S504 PolarHBondContact O-N 3.06Å
501R81Confident81.7Confident64 Ų6467.1 Ų67.124%0.24233%0.331CS..Hα-helixtrans-57.9-46.4-177.8-178.9177.8168.5-129.1-6.2112.4Y465 D499 S503 S504 F505 E577Y465-R501 HydrophobicContact CD1-CB 3.87Å; Y465-R501 HydrophobicContact CD1-CG 3.81Å; Y465-R501 HydrophobicContact CD2-CB 4.29Å; Y465-R501 HydrophobicContact CE1-CB 3.85Å; Y465-R501 HydrophobicContact CE1-CG 4.2Å; Y465-R501 HydrophobicContact CE2-CB 4.28Å; Y465-R501 HydrophobicContact CG-CB 4.1Å; Y465-R501 HydrophobicContact CG-CG 4.15Å; D499-R501 PolarHBondContact O-N 3.32Å; R501-S503 PolarHBondContact O-N 3.45Å; R501-S504 PolarHBondContact O-N 3.42Å; R501-S504 PolarHBondContact O-OG 3Å; R501-F505 HydrophobicContact CG-CD2 4.33Å; R501-F505 HydrophobicContact CG-CE1 4.41Å; R501-F505 HydrophobicContact CG-CE2 3.94Å; R501-F505 HydrophobicContact CG-CZ 3.99Å; R501-F505 VanDerWaalsContact NE-CE2 3.28Å; R501-F505 PolarHBondContact O-N 2.71Å; R501-E577 IonicContact CZ-OE1 3.89Å; R501-E577 IonicContact CZ-OE2 2.93Å; R501-E577 IonicContact NH2-OE1 3.07Å; R501-E577 PolarHBondContact NH2-OE1 2.98Å; R501-E577 IonicContact NH2-OE2 3.68Å; R501-E577 PolarHBondContact NH2-OE2 3.09Å
502K80.8Confident81.9Confident165 Ų16567.3 Ų67.372%0.71733%0.332SS*.Hα-helixtrans-63-43.2-175.8-172.2-179.1178.2-174.40111.6T500 F505 A506T500-K502 PolarHBondContact O-N 3.12Å; K502-F505 PolarHBondContact O-N 2.83Å; K502-A506 PolarHBondContact O-N 2.91Å
503S83.7Confident82.3Confident38 Ų3871.3 Ų71.327%0.26635%0.349SS..Hα-helixtrans-64.1-41.5177.2-55.50000112.2T500 R501 F505 A506 M507T500-S503 PolarHBondContact O-N 3.36Å; R501-S503 PolarHBondContact O-N 3.45Å; S503-F505 PolarHBondContact O-N 2.98Å; S503-A506 PolarHBondContact O-N 3.06Å; S503-M507 PolarHBondContact O-N 3.21Å
504S84Confident82.7Confident3 Ų370.1 Ų70.12%0.02134%0.339CS..Hα-helixtrans-62.5-40.9178.271.40000113.5T500 R501 M507 A508T500-S504 PolarHBondContact O-N 3.06Å; R501-S504 PolarHBondContact O-N 3.42Å; R501-S504 PolarHBondContact O-OG 3Å; S504-M507 PolarHBondContact O-N 3.43Å; S504-A508 PolarHBondContact O-N 3.25Å; S504-A508 VanDerWaalsContact O-N 3.08Å
505F85.4Confident82.9Confident30 Ų3070 Ų7013%0.13234%0.338CS..Hα-helixtrans-72.3-29.1179.2-70.3-5000113.6R501 K502 S503 L570 A574 E577R501-F505 HydrophobicContact CG-CD2 4.33Å; R501-F505 HydrophobicContact CG-CE1 4.41Å; R501-F505 HydrophobicContact CG-CE2 3.94Å; R501-F505 HydrophobicContact CG-CZ 3.99Å; R501-F505 VanDerWaalsContact NE-CE2 3.28Å; R501-F505 PolarHBondContact O-N 2.71Å; K502-F505 PolarHBondContact O-N 2.83Å; S503-F505 PolarHBondContact O-N 2.98Å; F505-L570 HydrophobicContact CD1-CD1 3.76Å; F505-L570 HydrophobicContact CD1-CG 4.32Å; F505-L570 HydrophobicContact CE1-CD1 3.62Å; F505-A574 HydrophobicContact CB-CB 4.34Å; F505-E577 WeakPolarHBondContact CE2-OE2 3.28Å
506A84Confident83.3Confident67 Ų6768 Ų6855%0.55433%0.332SS*.Hα-helixtrans-66.8-38.2173.900000112K502 S503K502-A506 PolarHBondContact O-N 2.91Å; S503-A506 PolarHBondContact O-N 3.06Å
507M86.6Confident83.8Confident89 Ų8968.5 Ų68.544%0.43833%0.331SS..Hα-helixtrans-87.5-13-178.3-65.3-62.7163.600114.3S503 S504 P509 I510 I511S503-M507 PolarHBondContact O-N 3.21Å; S504-M507 PolarHBondContact O-N 3.43Å; M507-P509 VanDerWaalsContact C-CD 3.47Å; M507-I510 PolarHBondContact O-N 3.01Å; M507-I510 HydrophobicContact SD-CD1 4.01Å; M507-I511 HydrophobicContact CB-CD1 3.79Å; M507-I511 HydrophobicContact CB-CG1 4.26Å; M507-I511 WeakPolarHBondContact O-CG1 3.38Å; M507-I511 PolarHBondContact O-N 3.23Å
508A84.7Confident84.2Confident0 Ų064.4 Ų64.40%031%0.314CS..Hα-helixtrans-45.4-46.2-176.800000116.6S504 L512 L570S504-A508 PolarHBondContact O-N 3.25Å; S504-A508 VanDerWaalsContact O-N 3.08Å; A508-L512 PolarHBondContact O-N 3.3Å; A508-L570 HydrophobicContact CB-CD2 3.75Å; A508-L570 HydrophobicContact CB-CG 3.94Å
509P83.1Confident84.8Confident57 Ų5753.4 Ų53.437%0.3727%0.272SS..Hα-helixtrans-69.7-32.217927.2-34.6000113.3M507 M513 L571M507-P509 VanDerWaalsContact C-CD 3.47Å; P509-M513 WeakPolarHBondContact O-CG 3.38Å; P509-M513 PolarHBondContact O-N 3.38Å; P509-M513 VanDerWaalsContact O-N 3.12Å; P509-L571 HydrophobicContact CB-CD1 4.03Å
510I87.3Confident85.4Confident100 Ų10051.5 Ų51.551%0.51326%0.261SS..Hα-helixtrans-70.1-44.8177.2-59.6172.3000109.3M507 L512 M513 Y514M507-I510 PolarHBondContact O-N 3.01Å; M507-I510 HydrophobicContact SD-CD1 4.01Å; I510-L512 VanDerWaalsContact C-N 3.33Å; I510-L512 PolarHBondContact O-N 3.47Å; I510-M513 PolarHBondContact O-N 3Å; I510-Y514 WeakPolarHBondContact O-CB 3.4Å; I510-Y514 PolarHBondContact O-N 3.36Å
511I86.2Confident85.6Confident11 Ų1153 Ų536%0.05627%0.268CS..Hα-helixtrans-59.5-43.3176.1-64.4166.6000110.6M472 M507 Y514 I515 V567M472-I511 HydrophobicContact CE-CD1 4.32Å; M472-I511 HydrophobicContact SD-CD1 4.15Å; M472-I511 HydrophobicContact SD-CG1 4.45Å; M472-I511 HydrophobicContact SD-CG2 3.65Å; M507-I511 HydrophobicContact CB-CD1 3.79Å; M507-I511 HydrophobicContact CB-CG1 4.26Å; M507-I511 WeakPolarHBondContact O-CG1 3.38Å; M507-I511 PolarHBondContact O-N 3.23Å; I511-Y514 PolarHBondContact O-N 3.28Å; I511-I515 HydrophobicContact CG2-CD1 3.81Å; I511-I515 WeakPolarHBondContact O-CB 3.36Å; I511-I515 WeakPolarHBondContact O-CG1 3.47Å; I511-I515 PolarHBondContact O-N 3.41Å; I511-V567 HydrophobicContact CG2-CG1 3.84Å
512L86.6Confident85.8Confident4 Ų451.5 Ų51.52%0.02126%0.264CS..Hα-helixtrans-66.2-45.8178.9-172.467.5000112.4A508 I510 Y514 I515 E516 V567 F568 L571A508-L512 PolarHBondContact O-N 3.3Å; I510-L512 VanDerWaalsContact C-N 3.33Å; I510-L512 PolarHBondContact O-N 3.47Å; L512-Y514 VanDerWaalsContact C-N 3.3Å; L512-Y514 PolarHBondContact O-N 2.98Å; L512-I515 PolarHBondContact O-N 3.07Å; L512-I515 VanDerWaalsContact O-N 3.17Å; L512-E516 HydrophobicContact CD1-CG 4.44Å; L512-E516 HydrophobicContact CG-CG 4.3Å; L512-E516 PolarHBondContact O-N 3.37Å; L512-V567 HydrophobicContact CB-CG1 4.2Å; L512-V567 HydrophobicContact CD1-CB 4.39Å; L512-V567 HydrophobicContact CD1-CG1 3.94Å; L512-F568 HydrophobicContact CD1-CD1 3.75Å; L512-F568 HydrophobicContact CD1-CD2 4.36Å; L512-F568 HydrophobicContact CD1-CE1 3.78Å; L512-F568 HydrophobicContact CD1-CE2 4.38Å; L512-F568 HydrophobicContact CD1-CG 4.05Å; L512-F568 HydrophobicContact CD1-CZ 4.1Å; L512-F568 HydrophobicContact CD2-CD1 3.9Å; L512-F568 HydrophobicContact CD2-CE1 4.04Å; L512-F568 HydrophobicContact CG-CD1 4.46Å; L512-F568 HydrophobicContact CG-CE1 4.38Å; L512-L571 HydrophobicContact CD2-CB 4.3Å; L512-L571 HydrophobicContact CD2-CD2 3.41Å; L512-L571 VanDerWaalsContact CD2-CD2 3.41Å; L512-L571 HydrophobicContact CD2-CG 4.48Å
513M86.8Confident86.1Confident121 Ų12144.1 Ų44.160%0.59623%0.232SC*.Hα-helixtrans-60.9-40.2177.9-71.2-174.8-57.400112.1P509 I510 I515 E516 F517P509-M513 WeakPolarHBondContact O-CG 3.38Å; P509-M513 PolarHBondContact O-N 3.38Å; P509-M513 VanDerWaalsContact O-N 3.12Å; I510-M513 PolarHBondContact O-N 3Å; M513-I515 VanDerWaalsContact C-N 3.33Å; M513-I515 PolarHBondContact O-N 3.47Å; M513-E516 PolarHBondContact O-N 3.34Å; M513-F517 WeakPolarHBondContact O-CB 3.32Å; M513-F517 PolarHBondContact O-N 3.11Å
514Y89.8Confident86.1Confident57 Ų5748.4 Ų48.422%0.22425%0.246CC..Hα-helixtrans-62-41.2175.7-178.4-113.5000111.9F483 L487 I510 I511 L512 F517 L518F483-Y514 WeakPolarHBondContact CB-OH 3.28Å; F483-Y514 VanDerWaalsContact CD1-OH 3.29Å; F483-Y514 WeakPolarHBondContact CD1-OH 3.45Å; L487-Y514 HydrophobicContact CD2-CD1 4.4Å; L487-Y514 HydrophobicContact CD2-CE1 4.15Å; L487-Y514 HydrophobicContact CG-CE1 4.37Å; I510-Y514 WeakPolarHBondContact O-CB 3.4Å; I510-Y514 PolarHBondContact O-N 3.36Å; I511-Y514 PolarHBondContact O-N 3.28Å; L512-Y514 VanDerWaalsContact C-N 3.3Å; L512-Y514 PolarHBondContact O-N 2.98Å; Y514-F517 PolarHBondContact O-N 3.43Å; Y514-L518 HydrophobicContact CD1-CD1 4.14Å; Y514-L518 HydrophobicContact CE1-CD1 3.72Å; Y514-L518 WeakPolarHBondContact O-CG 3.36Å; Y514-L518 PolarHBondContact O-N 3.03Å; Y514-L518 VanDerWaalsContact O-N 3.09Å
515I87.7Confident85.9Confident5 Ų549.3 Ų49.33%0.02625%0.25CS..Hα-helixtrans-74.6-36.8179.2-74.9175.4000112.6I511 L512 M513 F517 L518 L519 T564 V567I511-I515 HydrophobicContact CG2-CD1 3.81Å; I511-I515 WeakPolarHBondContact O-CB 3.36Å; I511-I515 WeakPolarHBondContact O-CG1 3.47Å; I511-I515 PolarHBondContact O-N 3.41Å; L512-I515 PolarHBondContact O-N 3.07Å; L512-I515 VanDerWaalsContact O-N 3.17Å; M513-I515 VanDerWaalsContact C-N 3.33Å; M513-I515 PolarHBondContact O-N 3.47Å; I515-F517 VanDerWaalsContact C-N 3.33Å; I515-L518 PolarHBondContact O-N 3.43Å; I515-L519 PolarHBondContact O-N 3.38Å; I515-T564 HydrophobicContact CG2-CG2 3.17Å; I515-V567 HydrophobicContact CD1-CG1 4.25Å; I515-V567 HydrophobicContact CD1-CG2 3.92Å
516E87.1Confident85.6Confident38 Ų3848.3 Ų48.318%0.17825%0.246CC..Hα-helixtrans-62.9-39.4171.7-76-179.6164.600111.1T221 L512 M513 L519 I520 F568T221-E516 PolarHBondContact OG1-OE1 3.38Å; L512-E516 HydrophobicContact CD1-CG 4.44Å; L512-E516 HydrophobicContact CG-CG 4.3Å; L512-E516 PolarHBondContact O-N 3.37Å; M513-E516 PolarHBondContact O-N 3.34Å; E516-L519 PolarHBondContact O-N 3.19Å; E516-I520 WeakPolarHBondContact O-CG1 3.5Å; E516-I520 PolarHBondContact O-N 3.03Å; E516-I520 VanDerWaalsContact O-N 3.07Å; E516-F568 HydrophobicContact CG-CZ 4.44Å; E516-F568 WeakPolarHBondContact OE1-CE1 3.37Å
517F88.6Confident85.4Confident117 Ų11746 Ų4651%0.51323%0.225SC..Hα-helixtrans-61.1-47.3172.6169.5-99.9000112.3M513 Y514 I515 L519 I520 L521M513-F517 WeakPolarHBondContact O-CB 3.32Å; M513-F517 PolarHBondContact O-N 3.11Å; Y514-F517 PolarHBondContact O-N 3.43Å; I515-F517 VanDerWaalsContact C-N 3.33Å; F517-L519 VanDerWaalsContact C-N 3.35Å; F517-L519 PolarHBondContact O-N 2.96Å; F517-I520 PolarHBondContact O-N 3.37Å; F517-L521 HydrophobicContact CE1-CD2 4.36Å; F517-L521 HydrophobicContact CZ-CD2 4.46Å; F517-L521 WeakPolarHBondContact O-CB 3.34Å; F517-L521 PolarHBondContact O-N 3.29Å
518L86.9Confident84.7Confident18 Ų1847.5 Ų47.59%0.09423%0.234CC..Hα-helixtrans-61.8-39.5177.1-69.8174.4000112.4W475 Y514 I515 L521 Q522W475-L518 HydrophobicContact CZ2-CB 4.38Å; W475-L518 HydrophobicContact CZ2-CD1 4.36Å; Y514-L518 HydrophobicContact CD1-CD1 4.14Å; Y514-L518 HydrophobicContact CE1-CD1 3.72Å; Y514-L518 WeakPolarHBondContact O-CG 3.36Å; Y514-L518 PolarHBondContact O-N 3.03Å; Y514-L518 VanDerWaalsContact O-N 3.09Å; I515-L518 PolarHBondContact O-N 3.43Å; L518-L521 PolarHBondContact O-N 3.32Å; L518-Q522 WeakPolarHBondContact O-CB 3.32Å; L518-Q522 PolarHBondContact O-N 3.01Å
519L86Confident84.1Confident1 Ų149.3 Ų49.31%0.00524%0.244CC..Hα-helixtrans-63.5-42175.4-87.6172.8000113L217 I515 E516 F517 Y523 Q560 T561 T564L217-L519 HydrophobicContact CD2-CD1 4.5Å; I515-L519 PolarHBondContact O-N 3.38Å; E516-L519 PolarHBondContact O-N 3.19Å; F517-L519 VanDerWaalsContact C-N 3.35Å; F517-L519 PolarHBondContact O-N 2.96Å; L519-Y523 PolarHBondContact O-N 3.5Å; L519-Q560 HydrophobicContact CD2-CB 3.89Å; L519-T561 HydrophobicContact CD1-CG2 4.47Å; L519-T561 HydrophobicContact CD2-CG2 3.73Å; L519-T564 HydrophobicContact CD1-CG2 3.61Å; L519-T564 HydrophobicContact CG-CG2 4.2Å
520I86.4Confident83.5Confident72 Ų7249.7 Ų49.737%0.36924%0.24SC..Hα-helixtrans-67.4-43.8177.6-69167.1000110.1L217 E516 F517 Q522 Y523 F524L217-I520 HydrophobicContact CD1-CG1 4.25Å; E516-I520 WeakPolarHBondContact O-CG1 3.5Å; E516-I520 PolarHBondContact O-N 3.03Å; E516-I520 VanDerWaalsContact O-N 3.07Å; F517-I520 PolarHBondContact O-N 3.37Å; I520-Q522 PolarHBondContact O-N 3.36Å; I520-Y523 PolarHBondContact O-N 2.8Å; I520-F524 HydrophobicContact CG2-CD2 3.91Å; I520-F524 HydrophobicContact CG2-CE2 3.84Å; I520-F524 WeakPolarHBondContact O-CD2 3.35Å; I520-F524 PolarHBondContact O-N 3.11Å; I520-F524 VanDerWaalsContact O-N 3.1Å
521L85.3Confident82.5Confident56 Ų5649.3 Ų49.329%0.29325%0.252SS..Hα-helixtrans-58.5-46.9176-177.562.2000111.2F517 L518 Y523 F524 L525F517-L521 HydrophobicContact CE1-CD2 4.36Å; F517-L521 HydrophobicContact CZ-CD2 4.46Å; F517-L521 WeakPolarHBondContact O-CB 3.34Å; F517-L521 PolarHBondContact O-N 3.29Å; L518-L521 PolarHBondContact O-N 3.32Å; L521-Y523 PolarHBondContact O-N 3.04Å; L521-F524 PolarHBondContact O-N 2.92Å; L521-L525 HydrophobicContact CD1-CD1 4.32Å; L521-L525 HydrophobicContact CG-CD1 4.01Å; L521-L525 VanDerWaalsContact O-CG 3.32Å; L521-L525 WeakPolarHBondContact O-CG 3.48Å; L521-L525 PolarHBondContact O-N 2.69Å
522Q85.3Confident81.7Confident33 Ų3353 Ų5315%0.15427%0.269CS..Hα-helixtrans-61.9-40.3176-169.172.459.500112.6L518 I520 F524 L525 S526 I556 L557 Q560L518-Q522 WeakPolarHBondContact O-CB 3.32Å; L518-Q522 PolarHBondContact O-N 3.01Å; I520-Q522 PolarHBondContact O-N 3.36Å; Q522-F524 VanDerWaalsContact C-N 3.33Å; Q522-F524 PolarHBondContact O-N 2.91Å; Q522-L525 PolarHBondContact O-N 3.22Å; Q522-S526 WeakPolarHBondContact O-CB 3.43Å; Q522-S526 PolarHBondContact O-N 2.87Å; Q522-S526 PolarHBondContact O-OG 3.32Å; Q522-I556 HydrophobicContact CG-CG2 3.93Å; Q522-L557 HydrophobicContact CB-CD2 4.18Å; Q522-L557 HydrophobicContact CG-CD2 3.88Å; Q522-Q560 VanDerWaalsContact OE1-NE2 3.11Å
523Y86.6Confident80.8Confident10 Ų1057.9 Ų57.94%0.03929%0.294CS..Hα-helixtrans-61-42.6177.7-172.6-83.2000111.3P205 S206 S210 F213 L519 I520 L521 S526 M527 L557P205-Y523 HydrophobicContact CB-CE2 4.17Å; S206-Y523 PolarHBondContact N-OH 3.47Å; S206-Y523 PolarHBondContact O-OH 3.05Å; S210-Y523 WeakPolarHBondContact CA-OH 3.46Å; S210-Y523 PolarHBondContact N-OH 3.44Å; S210-Y523 VanDerWaalsContact N-OH 3.15Å; F213-Y523 HydrophobicContact CB-CE2 4.1Å; F213-Y523 AromaticContact CD1-CD2 3.63Å; F213-Y523 HydrophobicContact CD1-CD2 3.63Å; F213-Y523 AromaticContact CD1-CE2 3.96Å; F213-Y523 HydrophobicContact CD1-CE2 3.96Å; F213-Y523 HydrophobicContact CD1-CG 4.06Å; F213-Y523 HydrophobicContact CD2-CD2 4.46Å; F213-Y523 AromaticContact CE1-CD2 3.77Å; F213-Y523 HydrophobicContact CE1-CD2 3.77Å; F213-Y523 HydrophobicContact CE1-CG 4.05Å; F213-Y523 AromaticContact CG-CD2 4Å; F213-Y523 HydrophobicContact CG-CD2 4Å; F213-Y523 AromaticContact CG-CE2 3.96Å; F213-Y523 HydrophobicContact CG-CE2 3.96Å; F213-Y523 HydrophobicContact CZ-CD2 4.26Å; L519-Y523 PolarHBondContact O-N 3.5Å; I520-Y523 PolarHBondContact O-N 2.8Å; L521-Y523 PolarHBondContact O-N 3.04Å; Y523-S526 PolarHBondContact O-N 3.45Å; Y523-S526 PolarHBondContact O-OG 2.93Å; Y523-M527 HydrophobicContact CE1-SD 4.31Å; Y523-L557 HydrophobicContact CD2-CD1 4.12Å
524F83.8Confident79.7Confident128 Ų12853.9 Ų53.956%0.56128%0.283SS*.Hα-helixtrans-66.4-43174.4-82.6-71.7000113.2I520 L521 Q522 S526 M527I520-F524 HydrophobicContact CG2-CD2 3.91Å; I520-F524 HydrophobicContact CG2-CE2 3.84Å; I520-F524 WeakPolarHBondContact O-CD2 3.35Å; I520-F524 PolarHBondContact O-N 3.11Å; I520-F524 VanDerWaalsContact O-N 3.1Å; L521-F524 PolarHBondContact O-N 2.92Å; Q522-F524 VanDerWaalsContact C-N 3.33Å; Q522-F524 PolarHBondContact O-N 2.91Å; F524-S526 PolarHBondContact O-N 3.46Å; F524-S526 VanDerWaalsContact O-N 3.12Å; F524-M527 HydrophobicContact CD1-SD 4.24Å; F524-M527 PolarHBondContact O-N 3.19Å; F524-M527 VanDerWaalsContact O-N 3.16Å
525L79.3Confident78.5Confident22 Ų2256.4 Ų56.412%0.11530%0.301CS..Hα-helixtrans-65.1-10.4175.4-67.6170.6000113.7L521 Q522 I544 W546 T547L521-L525 HydrophobicContact CD1-CD1 4.32Å; L521-L525 HydrophobicContact CG-CD1 4.01Å; L521-L525 VanDerWaalsContact O-CG 3.32Å; L521-L525 WeakPolarHBondContact O-CG 3.48Å; L521-L525 PolarHBondContact O-N 2.69Å; Q522-L525 PolarHBondContact O-N 3.22Å; L525-I544 HydrophobicContact CD1-CG2 3.71Å; L525-W546 HydrophobicContact CB-CE3 4.43Å; L525-W546 HydrophobicContact CD2-CD2 4.24Å; L525-W546 HydrophobicContact CD2-CE3 3.67Å; L525-W546 HydrophobicContact CD2-CH2 4.05Å; L525-W546 HydrophobicContact CD2-CZ3 3.58Å; L525-T547 PolarHBondContact O-OG1 2.96Å
526S80.5Confident77.5Confident8 Ų858.6 Ų58.66%0.05632%0.315CS..THydrogen-bonded Turntrans-101.12176.976.80000115P205 Q522 Y523 F524 T547P205-S526 WeakPolarHBondContact CG-O 3.47Å; Q522-S526 WeakPolarHBondContact O-CB 3.43Å; Q522-S526 PolarHBondContact O-N 2.87Å; Q522-S526 PolarHBondContact O-OG 3.32Å; Y523-S526 PolarHBondContact O-N 3.45Å; Y523-S526 PolarHBondContact O-OG 2.93Å; F524-S526 PolarHBondContact O-N 3.46Å; F524-S526 VanDerWaalsContact O-N 3.12Å; S526-T547 WeakPolarHBondContact CA-OG1 3.28Å
527M78.5Confident76.7Confident19 Ų1961 Ų619%0.09434%0.342CS..SBendtrans-86.5147.8174.1-66.4-175.768.300111.7P205 L274 Y523 F524 I529P205-M527 HydrophobicContact CB-CG 4.42Å; L274-M527 HydrophobicContact CD1-CE 4.32Å; Y523-M527 HydrophobicContact CE1-SD 4.31Å; F524-M527 HydrophobicContact CD1-SD 4.24Å; F524-M527 PolarHBondContact O-N 3.19Å; F524-M527 VanDerWaalsContact O-N 3.16Å; M527-I529 VanDerWaalsContact C-N 3.25Å; M527-I529 HydrophobicContact CB-CD1 3.69Å; M527-I529 HydrophobicContact CB-CG1 3.84Å; M527-I529 HydrophobicContact CE-CD1 4.16Å; M527-I529 PolarHBondContact O-N 3.3Å; M527-I529 HydrophobicContact SD-CD1 4.29Å
528D72.3Confident76Confident120 Ų12063 Ų6364%0.64235%0.346SS*.SBendtrans-75.567.9-178.9-171.519000112.5
529I72.4Confident75.2Confident38 Ų3862.9 Ų62.920%0.19535%0.346CS..  trans-129.67.3-175-39.9172.5000111.4M527 A531 E532 I533M527-I529 VanDerWaalsContact C-N 3.25Å; M527-I529 HydrophobicContact CB-CD1 3.69Å; M527-I529 HydrophobicContact CB-CG1 3.84Å; M527-I529 HydrophobicContact CE-CD1 4.16Å; M527-I529 PolarHBondContact O-N 3.3Å; M527-I529 HydrophobicContact SD-CD1 4.29Å; I529-A531 PolarHBondContact O-N 2.95Å; I529-E532 HydrophobicContact CG2-CB 4.13Å; I529-E532 PolarHBondContact O-N 2.9Å; I529-I533 HydrophobicContact CB-CD1 4.24Å; I529-I533 HydrophobicContact CG2-CD1 3.86Å; I529-I533 HydrophobicContact CG2-CG1 4.19Å
530H69.8Low74.3Confident66 Ų6669 Ų6931%0.30638%0.378SS..Hα-helixtrans-55.7-38-176.1-174.3-21.5000112.6E532 I533 D535H530-E532 PolarHBondContact O-N 3.24Å; H530-I533 PolarHBondContact O-N 3.17Å; H530-D535 IonicContact CE1-OD1 2.92Å; H530-D535 IonicContact CE1-OD2 3.96Å
531A67.3Low73.5Confident91 Ų9172.8 Ų72.875%0.75239%0.392SS*.Hα-helixtrans-66.7-18.3-17900000114.1I529I529-A531 PolarHBondContact O-N 2.95Å
532E69.2Low72.8Confident89 Ų8971.3 Ų71.342%0.41639%0.386SS..Hα-helixtrans-103.8-8.1-177.5-72.990.2-171.300114.5R273 I529 H530R273-E532 IonicContact CZ-OE1 3.22Å; R273-E532 IonicContact NH1-OE1 3.36Å; R273-E532 PolarHBondContact NH1-OE1 3.16Å; R273-E532 IonicContact NH1-OE2 2.8Å; R273-E532 PolarHBondContact NH1-OE2 3.09Å; R273-E532 VanDerWaalsContact NH1-OE2 3.07Å; R273-E532 IonicContact NH2-OE1 2.73Å; R273-E532 PolarHBondContact NH2-OE1 3.41Å; I529-E532 HydrophobicContact CG2-CB 4.13Å; I529-E532 PolarHBondContact O-N 2.9Å; H530-E532 PolarHBondContact O-N 3.24Å
533I68Low71.8Confident107 Ų10771.1 Ų71.155%0.54939%0.393SS..Hα-helixtrans-116.1-43.7-171.1-61.5172.8000114.5I529 H530 W546I529-I533 HydrophobicContact CB-CD1 4.24Å; I529-I533 HydrophobicContact CG2-CD1 3.86Å; I529-I533 HydrophobicContact CG2-CG1 4.19Å; H530-I533 PolarHBondContact O-N 3.17Å; I533-W546 HydrophobicContact CB-CH2 4.28Å; I533-W546 HydrophobicContact CB-CZ2 4.4Å; I533-W546 HydrophobicContact CD1-CH2 4.03Å; I533-W546 HydrophobicContact CG2-CH2 4Å; I533-W546 HydrophobicContact CG2-CZ2 3.99Å
534G63.6Low71Confident36 Ų3672.1 Ų72.137%0.37140%0.398SS..  trans78.3170.2-17900000116.4P536G534-P536 WeakPolarHBondContact O-CD 3.31Å
535D63.3Low70.3Confident110 Ų11071.8 Ų71.859%0.58840%0.398SS*.  trans-106.9112.6-169.5-67.5-39.2000114H530 W546H530-D535 IonicContact CE1-OD1 2.92Å; H530-D535 IonicContact CE1-OD2 3.96Å; D535-W546 PolarHBondContact OD1-NE1 2.88Å
536P68Low70Confident51 Ų5173.2 Ų73.233%0.33140%0.402SS..  trans-95.7137.2179.436.5-34.5000113G534 W538 M539G534-P536 WeakPolarHBondContact O-CD 3.31Å; P536-W538 VanDerWaalsContact CB-NE1 3.35Å; P536-W538 HydrophobicContact CG-CD2 4.39Å; P536-W538 HydrophobicContact CG-CZ2 3.84Å; P536-W538 VanDerWaalsContact CG-NE1 3.34Å; P536-W538 PolarHBondContact O-N 3.48Å; P536-M539 HydrophobicContact CG-SD 4.48Å; P536-M539 PolarHBondContact O-N 3.31Å
537A68.8Low69.5Low90 Ų9074 Ų7474%0.74441%0.406SS*.THydrogen-bonded Turntrans-56.9-19.1-172.200000116.5M539A537-M539 VanDerWaalsContact C-N 3.29Å; A537-M539 PolarHBondContact O-N 2.97Å
538W74.9Confident68.9Low158 Ų15877.9 Ų77.960%0.59843%0.431SS*.Hα-helixtrans-70.2-22.1176.261.2-99.2000113.3P536 N540 F541 V542P536-W538 VanDerWaalsContact CB-NE1 3.35Å; P536-W538 HydrophobicContact CG-CD2 4.39Å; P536-W538 HydrophobicContact CG-CZ2 3.84Å; P536-W538 VanDerWaalsContact CG-NE1 3.34Å; P536-W538 PolarHBondContact O-N 3.48Å; W538-N540 VanDerWaalsContact C-N 3.34Å; W538-N540 PolarHBondContact O-N 3.34Å; W538-F541 PolarHBondContact O-N 2.84Å; W538-V542 HydrophobicContact CE3-CG2 4.24Å; W538-V542 WeakPolarHBondContact O-CG2 3.31Å; W538-V542 PolarHBondContact O-N 3.28Å; W538-V542 VanDerWaalsContact O-N 3.09Å
539M69.6Low68.7Low16 Ų1674.1 Ų74.18%0.07941%0.411CS..Hα-helixtrans-61.9-40.8178.4-112.9167.163.800112.2P536 A537 F541 V542 G543 I544 W546P536-M539 HydrophobicContact CG-SD 4.48Å; P536-M539 PolarHBondContact O-N 3.31Å; A537-M539 VanDerWaalsContact C-N 3.29Å; A537-M539 PolarHBondContact O-N 2.97Å; M539-F541 VanDerWaalsContact C-N 3.3Å; M539-F541 PolarHBondContact O-N 2.98Å; M539-V542 PolarHBondContact O-N 3.36Å; M539-G543 PolarHBondContact O-N 2.89Å; M539-I544 WeakPolarHBondContact CE-O 3.11Å; M539-I544 HydrophobicContact CG-CB 4.12Å; M539-I544 HydrophobicContact CG-CG2 4.31Å; M539-I544 PolarHBondContact O-N 3.46Å; M539-W546 HydrophobicContact CE-CG 4.29Å
540N67.1Low68.5Low130 Ų13074.8 Ų74.870%0.69542%0.418SS*.Hα-helixtrans-67.1-27.7177.2-71.8-12.3000113.3W538W538-N540 VanDerWaalsContact C-N 3.34Å; W538-N540 PolarHBondContact O-N 3.34Å
541F69.5Low68.6Low151 Ų15172.4 Ų72.466%0.66241%0.408SS*.Hα-helixtrans-78.4-34.9175.2-174.6-94.3000111.9I482 W538 M539I482-F541 HydrophobicContact CD1-CD1 4.11Å; I482-F541 HydrophobicContact CD1-CE1 4.01Å; I482-F541 WeakPolarHBondContact CD1-O 3.33Å; W538-F541 PolarHBondContact O-N 2.84Å; M539-F541 VanDerWaalsContact C-N 3.3Å; M539-F541 PolarHBondContact O-N 2.98Å
542V70.4Confident68.9Low25 Ų2572.8 Ų72.815%0.15239%0.394CS..Hα-helixtrans-83.2-27.8-178.4175.90000112.8I482 F483 W538 M539 I544I482-V542 PolarHBondContact N-O 2.98Å; F483-V542 HydrophobicContact CD2-CG1 3.99Å; F483-V542 HydrophobicContact CE2-CG1 3.47Å; F483-V542 VanDerWaalsContact CE2-CG1 3.47Å; F483-V542 HydrophobicContact CZ-CG1 4.17Å; W538-V542 HydrophobicContact CE3-CG2 4.24Å; W538-V542 WeakPolarHBondContact O-CG2 3.31Å; W538-V542 PolarHBondContact O-N 3.28Å; W538-V542 VanDerWaalsContact O-N 3.09Å; M539-V542 PolarHBondContact O-N 3.36Å; V542-I544 HydrophobicContact CG1-CD1 4.04Å; V542-I544 HydrophobicContact CG1-CG1 4.25Å
543G65.6Low69.2Low29 Ų2968.6 Ų68.630%0.29938%0.375SS..THydrogen-bonded Turntrans83.151.5-177.300000112.8S481 M539S481-G543 WeakPolarHBondContact CB-O 3.49Å; M539-G543 PolarHBondContact O-N 2.89Å
544I68.8Low69.9Low30 Ų3064.4 Ų64.415%0.15435%0.354CS..  trans-122.8133.3171.7-67.7173.2000108.4F483 L525 M539 V542F483-I544 HydrophobicContact CD2-CD1 4.07Å; F483-I544 HydrophobicContact CE2-CD1 3.7Å; L525-I544 HydrophobicContact CD1-CG2 3.71Å; M539-I544 WeakPolarHBondContact CE-O 3.11Å; M539-I544 HydrophobicContact CG-CB 4.12Å; M539-I544 HydrophobicContact CG-CG2 4.31Å; M539-I544 PolarHBondContact O-N 3.46Å; V542-I544 HydrophobicContact CG1-CD1 4.04Å; V542-I544 HydrophobicContact CG1-CG1 4.25Å
545E68.9Low70.7Confident121 Ų12167 Ų6757%0.56536%0.358SS*.  trans-127.1145.3-179.3-63.2177.2176.600109.4R732E545-R732 IonicContact OE1-CZ 2.8Å; E545-R732 IonicContact OE1-NH2 3.17Å; E545-R732 PolarHBondContact OE1-NH2 3.42Å
546W73.9Confident71.6Confident53 Ų5363.3 Ų63.320%0.20134%0.338CS..  trans-75.1151.9177.6-65.2105.8000112L525 I533 D535 M539L525-W546 HydrophobicContact CB-CE3 4.43Å; L525-W546 HydrophobicContact CD2-CD2 4.24Å; L525-W546 HydrophobicContact CD2-CE3 3.67Å; L525-W546 HydrophobicContact CD2-CH2 4.05Å; L525-W546 HydrophobicContact CD2-CZ3 3.58Å; I533-W546 HydrophobicContact CB-CH2 4.28Å; I533-W546 HydrophobicContact CB-CZ2 4.4Å; I533-W546 HydrophobicContact CD1-CH2 4.03Å; I533-W546 HydrophobicContact CG2-CH2 4Å; I533-W546 HydrophobicContact CG2-CZ2 3.99Å; D535-W546 PolarHBondContact OD1-NE1 2.88Å; M539-W546 HydrophobicContact CE-CG 4.29Å
547T70.6Confident72.4Confident23 Ų2360.9 Ų60.914%0.14132%0.323CS..  trans-11298.9176.562.40000111.8L525 S526 I556L525-T547 PolarHBondContact O-OG1 2.96Å; S526-T547 WeakPolarHBondContact CA-OG1 3.28Å; T547-I556 HydrophobicContact CG2-CD1 3.62Å
548T64.8Low73.1Confident101 Ų10159.3 Ų59.362%0.6231%0.305SS*.  trans-80.1-31.7-179.449.40000113.8
549L68.8Low73.6Confident42 Ų4254.1 Ų54.122%0.2229%0.291CS..SBendtrans-82127.8-179.6-8288.8000112.3D302 V551 H552 A553D302-L549 HydrophobicContact CB-CD2 4.28Å; L549-V551 PolarHBondContact O-N 3.42Å; L549-H552 HydrophobicContact CB-CB 4.13Å; L549-H552 WeakPolarHBondContact CB-ND1 3.38Å; L549-H552 PolarHBondContact O-N 3.16Å; L549-H552 VanDerWaalsContact O-N 3.16Å; L549-A553 PolarHBondContact O-N 3.45Å; L549-A553 VanDerWaalsContact O-N 3.08Å
550P67.8Low74.4Confident51 Ų5153.6 Ų53.633%0.33129%0.289SS..Hα-helixtrans-65.3-24.8-177.926-34.7000113.5L309 V554L309-P550 HydrophobicContact CD1-CG 4.48Å; P550-V554 VanDerWaalsContact O-CG2 3.3Å; P550-V554 WeakPolarHBondContact O-CG2 3.39Å; P550-V554 PolarHBondContact O-N 2.87Å
551V72.6Confident75.2Confident16 Ų1648.1 Ų48.110%0.09726%0.26CS..Hα-helixtrans-75-41.7175.7179.30000111.4I304 M305 P308 L549 A553 V554 I555I304-V551 WeakPolarHBondContact O-CG2 3.28Å; M305-V551 WeakPolarHBondContact O-CG2 3.34Å; P308-V551 HydrophobicContact CG-CG2 4.19Å; L549-V551 PolarHBondContact O-N 3.42Å; V551-A553 VanDerWaalsContact C-N 3.35Å; V551-V554 PolarHBondContact O-N 3.4Å; V551-I555 HydrophobicContact CG1-CD1 3.9Å; V551-I555 WeakPolarHBondContact O-CG1 3.49Å; V551-I555 PolarHBondContact O-N 2.8Å
552H73.5Confident75.8Confident99 Ų9945.9 Ų45.946%0.45825%0.254SS..Hα-helixtrans-63.4-41.8175.6-7394.2000111.2L549 V554 I555 I556L549-H552 HydrophobicContact CB-CB 4.13Å; L549-H552 WeakPolarHBondContact CB-ND1 3.38Å; L549-H552 PolarHBondContact O-N 3.16Å; L549-H552 VanDerWaalsContact O-N 3.16Å; H552-V554 PolarHBondContact O-N 3.46Å; H552-I555 PolarHBondContact O-N 3.38Å; H552-I556 WeakPolarHBondContact O-CB 3.36Å; H552-I556 VanDerWaalsContact O-CG1 3.3Å; H552-I556 WeakPolarHBondContact O-CG1 3.39Å; H552-I556 PolarHBondContact O-N 3.35Å
553A74.7Confident76.5Confident2 Ų246.4 Ų46.42%0.01726%0.256CS..Hα-helixtrans-54.7-49.3171.400000112.6P205 L549 V551 I555 L557P205-A553 HydrophobicContact CG-CB 4.36Å; L549-A553 PolarHBondContact O-N 3.45Å; L549-A553 VanDerWaalsContact O-N 3.08Å; V551-A553 VanDerWaalsContact C-N 3.35Å; A553-I555 PolarHBondContact O-N 3.48Å; A553-L557 WeakPolarHBondContact O-CB 3.32Å; A553-L557 VanDerWaalsContact O-CG 3.32Å; A553-L557 WeakPolarHBondContact O-CG 3.36Å; A553-L557 PolarHBondContact O-N 3.24Å
554V82.3Confident77.4Confident18 Ų1845 Ų4511%0.10924%0.242CC..Hα-helixtrans-61.3-44177.3168.90000111.8I202 P550 V551 H552 C558I202-V554 HydrophobicContact CG2-CG1 4.35Å; I202-V554 WeakPolarHBondContact O-CG2 2.98Å; P550-V554 VanDerWaalsContact O-CG2 3.3Å; P550-V554 WeakPolarHBondContact O-CG2 3.39Å; P550-V554 PolarHBondContact O-N 2.87Å; V551-V554 PolarHBondContact O-N 3.4Å; H552-V554 PolarHBondContact O-N 3.46Å; V554-C558 WeakPolarHBondContact O-CB 3.39Å; V554-C558 PolarHBondContact O-N 2.89Å
555I81.5Confident78.1Confident90 Ų9047.4 Ų47.446%0.46225%0.254SS..Hα-helixtrans-65.4-49.9-179.3-69.1168000111V551 H552 A553 L557 C558 V559V551-I555 HydrophobicContact CG1-CD1 3.9Å; V551-I555 WeakPolarHBondContact O-CG1 3.49Å; V551-I555 PolarHBondContact O-N 2.8Å; H552-I555 PolarHBondContact O-N 3.38Å; A553-I555 PolarHBondContact O-N 3.48Å; I555-L557 PolarHBondContact O-N 3.14Å; I555-C558 PolarHBondContact O-N 3.46Å; I555-V559 HydrophobicContact CG2-CG2 4.37Å; I555-V559 WeakPolarHBondContact O-CG2 3.38Å; I555-V559 PolarHBondContact O-N 2.92Å
556I81.6Confident78.8Confident33 Ų3343.2 Ų43.217%0.16924%0.238CC..Hα-helixtrans-62.5-47.2-177.5-67.9163.7000110.3Y479 Q522 T547 H552 C558 V559 Q560Y479-I556 HydrophobicContact CE1-CG2 4.25Å; Q522-I556 HydrophobicContact CG-CG2 3.93Å; T547-I556 HydrophobicContact CG2-CD1 3.62Å; H552-I556 WeakPolarHBondContact O-CB 3.36Å; H552-I556 VanDerWaalsContact O-CG1 3.3Å; H552-I556 WeakPolarHBondContact O-CG1 3.39Å; H552-I556 PolarHBondContact O-N 3.35Å; I556-C558 VanDerWaalsContact C-N 3.32Å; I556-C558 PolarHBondContact O-N 2.92Å; I556-V559 PolarHBondContact O-N 3.25Å; I556-Q560 HydrophobicContact CG2-CG 4.46Å; I556-Q560 WeakPolarHBondContact O-CB 3.18Å; I556-Q560 WeakPolarHBondContact O-CG 3.44Å; I556-Q560 PolarHBondContact O-N 3.48Å
557L84.2Confident79.3Confident0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-63-36.2175.8-70.6173000112.3I202 Q522 Y523 A553 I555 T561I202-L557 HydrophobicContact CG1-CB 4.48Å; I202-L557 HydrophobicContact CG2-CB 3.85Å; I202-L557 HydrophobicContact CG2-CD1 4.34Å; Q522-L557 HydrophobicContact CB-CD2 4.18Å; Q522-L557 HydrophobicContact CG-CD2 3.88Å; Y523-L557 HydrophobicContact CD2-CD1 4.12Å; A553-L557 WeakPolarHBondContact O-CB 3.32Å; A553-L557 VanDerWaalsContact O-CG 3.32Å; A553-L557 WeakPolarHBondContact O-CG 3.36Å; A553-L557 PolarHBondContact O-N 3.24Å; I555-L557 PolarHBondContact O-N 3.14Å; L557-T561 VanDerWaalsContact O-CB 3.32Å; L557-T561 WeakPolarHBondContact O-CB 3.43Å; L557-T561 VanDerWaalsContact O-CG2 3.27Å; L557-T561 WeakPolarHBondContact O-CG2 3.5Å; L557-T561 PolarHBondContact O-N 2.94Å; L557-T561 PolarHBondContact O-OG1 3.06Å
558C85.1Confident80.1Confident57 Ų5739.9 Ų39.939%0.38522%0.223SC..Hα-helixtrans-69.2-45.5177.4-170.30000112.5V554 I555 I556 T561 L562V554-C558 WeakPolarHBondContact O-CB 3.39Å; V554-C558 PolarHBondContact O-N 2.89Å; I555-C558 PolarHBondContact O-N 3.46Å; I556-C558 VanDerWaalsContact C-N 3.32Å; I556-C558 PolarHBondContact O-N 2.92Å; C558-T561 WeakPolarHBondContact CA-OG1 3.3Å; C558-T561 PolarHBondContact O-N 3.41Å; C558-T561 PolarHBondContact O-OG1 3.01Å; C558-T561 VanDerWaalsContact O-OG1 3.12Å; C558-L562 WeakPolarHBondContact O-CG 3.22Å; C558-L562 PolarHBondContact O-N 3Å
559V84.4Confident81Confident50 Ų5038.5 Ų38.530%0.30321%0.211SC..Hα-helixtrans-64.9-45.8177.8172.30000110.9Y479 I555 I556 L562 L563Y479-V559 WeakPolarHBondContact OH-CG1 3.41Å; I555-V559 HydrophobicContact CG2-CG2 4.37Å; I555-V559 WeakPolarHBondContact O-CG2 3.38Å; I555-V559 PolarHBondContact O-N 2.92Å; I556-V559 PolarHBondContact O-N 3.25Å; V559-L562 PolarHBondContact O-N 3.4Å; V559-L563 HydrophobicContact CG1-CD1 4.01Å; V559-L563 WeakPolarHBondContact O-CG 3.37Å; V559-L563 PolarHBondContact O-N 2.95Å
560Q86.6Confident81.8Confident5 Ų536.7 Ų36.72%0.02320%0.202CC..Hα-helixtrans-60.5-49.3175.3-71.9-179.1300111.2W475 Y479 L519 Q522 I556 L562 L563 T564W475-Q560 HydrophobicContact CH2-CB 3.69Å; W475-Q560 HydrophobicContact CH2-CG 3.66Å; W475-Q560 HydrophobicContact CZ2-CB 4.46Å; W475-Q560 HydrophobicContact CZ2-CG 3.94Å; W475-Q560 HydrophobicContact CZ3-CB 4Å; W475-Q560 HydrophobicContact CZ3-CG 4.15Å; Y479-Q560 HydrophobicContact CE2-CG 3.88Å; L519-Q560 HydrophobicContact CD2-CB 3.89Å; Q522-Q560 VanDerWaalsContact OE1-NE2 3.11Å; I556-Q560 HydrophobicContact CG2-CG 4.46Å; I556-Q560 WeakPolarHBondContact O-CB 3.18Å; I556-Q560 WeakPolarHBondContact O-CG 3.44Å; I556-Q560 PolarHBondContact O-N 3.48Å; Q560-L562 PolarHBondContact O-N 3.29Å; Q560-L563 PolarHBondContact O-N 3.3Å; Q560-L563 VanDerWaalsContact O-N 3.11Å; Q560-T564 VanDerWaalsContact O-CG2 3.27Å; Q560-T564 WeakPolarHBondContact O-CG2 3.35Å; Q560-T564 PolarHBondContact O-N 3.4Å; Q560-T564 VanDerWaalsContact O-N 3.11Å
561T82.8Confident82.8Confident15 Ų1535.2 Ų35.29%0.09219%0.191CC..Hα-helixtrans-63.9-24.2178.5510000114.2I202 F213 L519 L557 C558 T564I202-T561 HydrophobicContact CD1-CG2 4.28Å; F213-T561 HydrophobicContact CE2-CG2 4.26Å; L519-T561 HydrophobicContact CD1-CG2 4.47Å; L519-T561 HydrophobicContact CD2-CG2 3.73Å; L557-T561 VanDerWaalsContact O-CB 3.32Å; L557-T561 WeakPolarHBondContact O-CB 3.43Å; L557-T561 VanDerWaalsContact O-CG2 3.27Å; L557-T561 WeakPolarHBondContact O-CG2 3.5Å; L557-T561 PolarHBondContact O-N 2.94Å; L557-T561 PolarHBondContact O-OG1 3.06Å; C558-T561 WeakPolarHBondContact CA-OG1 3.3Å; C558-T561 PolarHBondContact O-N 3.41Å; C558-T561 PolarHBondContact O-OG1 3.01Å; C558-T561 VanDerWaalsContact O-OG1 3.12Å; T561-T564 PolarHBondContact O-OG1 2.92Å; T561-T564 VanDerWaalsContact O-OG1 3.07Å
562L83.5Confident83.3Confident104 Ų10437.9 Ų37.955%0.54520%0.199SC..Hα-helixtrans-74.3-44.5169.7-76.1168.1000112.3C558 V559 Q560 T564 L565C558-L562 WeakPolarHBondContact O-CG 3.22Å; C558-L562 PolarHBondContact O-N 3Å; V559-L562 PolarHBondContact O-N 3.4Å; Q560-L562 PolarHBondContact O-N 3.29Å; L562-T564 PolarHBondContact O-N 3.08Å; L562-L565 HydrophobicContact CD2-CD1 4.21Å; L562-L565 PolarHBondContact O-N 2.66Å
563L84.8Confident83.8Confident35 Ų3534.2 Ų34.218%0.18318%0.183CC..Hα-helixtrans-65.5-20.2179-70.9171.6000113.3W475 L478 V559 Q560 P566W475-L563 HydrophobicContact CE3-CB 3.81Å; W475-L563 HydrophobicContact CE3-CD1 4.09Å; W475-L563 HydrophobicContact CZ3-CB 4.1Å; L478-L563 HydrophobicContact CD1-CD1 4.15Å; V559-L563 HydrophobicContact CG1-CD1 4.01Å; V559-L563 WeakPolarHBondContact O-CG 3.37Å; V559-L563 PolarHBondContact O-N 2.95Å; Q560-L563 PolarHBondContact O-N 3.3Å; Q560-L563 VanDerWaalsContact O-N 3.11Å; L563-P566 WeakPolarHBondContact O-CD 3.37Å
564T85.5Confident84.1Confident1 Ų135 Ų351%0.00619%0.189CC..THydrogen-bonded Turntrans-81.9-21.4175.167.10000114.6W475 I515 L519 Q560 T561 L562 V567 F568W475-T564 HydrophobicContact CH2-CG2 4.35Å; W475-T564 HydrophobicContact CZ3-CG2 3.89Å; I515-T564 HydrophobicContact CG2-CG2 3.17Å; L519-T564 HydrophobicContact CD1-CG2 3.61Å; L519-T564 HydrophobicContact CG-CG2 4.2Å; Q560-T564 VanDerWaalsContact O-CG2 3.27Å; Q560-T564 WeakPolarHBondContact O-CG2 3.35Å; Q560-T564 PolarHBondContact O-N 3.4Å; Q560-T564 VanDerWaalsContact O-N 3.11Å; T561-T564 PolarHBondContact O-OG1 2.92Å; T561-T564 VanDerWaalsContact O-OG1 3.07Å; L562-T564 PolarHBondContact O-N 3.08Å; T564-V567 WeakPolarHBondContact O-CA 3.41Å; T564-V567 WeakPolarHBondContact O-CB 3.42Å; T564-V567 PolarHBondContact O-N 2.81Å; T564-F568 WeakPolarHBondContact O-CD2 3.4Å; T564-F568 PolarHBondContact O-N 2.87Å
565L82.5Confident84.1Confident79 Ų7940 Ų4041%0.41421%0.206SC..Hα-helixtrans-57.8-41.4-177.7-65.2176.4000114L562 V567 F568 L569L562-L565 HydrophobicContact CD2-CD1 4.21Å; L562-L565 PolarHBondContact O-N 2.66Å; L565-V567 PolarHBondContact O-N 2.91Å; L565-F568 PolarHBondContact O-N 3.2Å; L565-L569 WeakPolarHBondContact O-CB 3.43Å; L565-L569 PolarHBondContact O-N 3.27Å; L565-L569 VanDerWaalsContact O-N 3.08Å
566P83.8Confident84Confident33 Ų3337.1 Ų37.121%0.21419%0.189CC..Hα-helixtrans-59.9-28.7172-24.435.5000113.6I467 A471 L563 L570I467-P566 HydrophobicContact CG2-CB 4.34Å; I467-P566 HydrophobicContact CG2-CG 4.35Å; A471-P566 HydrophobicContact CB-CG 4.47Å; L563-P566 WeakPolarHBondContact O-CD 3.37Å; P566-L570 WeakPolarHBondContact O-CB 3.48Å; P566-L570 PolarHBondContact O-N 3.38Å
567V84.9Confident83.6Confident2 Ų237.8 Ų37.81%0.01219%0.192CC..Hα-helixtrans-80.2-41.4-179.7-171.60000111.5I511 L512 I515 T564 L565 L569 L570 L571I511-V567 HydrophobicContact CG2-CG1 3.84Å; L512-V567 HydrophobicContact CB-CG1 4.2Å; L512-V567 HydrophobicContact CD1-CB 4.39Å; L512-V567 HydrophobicContact CD1-CG1 3.94Å; I515-V567 HydrophobicContact CD1-CG1 4.25Å; I515-V567 HydrophobicContact CD1-CG2 3.92Å; T564-V567 WeakPolarHBondContact O-CA 3.41Å; T564-V567 WeakPolarHBondContact O-CB 3.42Å; T564-V567 PolarHBondContact O-N 2.81Å; L565-V567 PolarHBondContact O-N 2.91Å; V567-L569 PolarHBondContact O-N 2.99Å; V567-L570 VanDerWaalsContact O-CB 3.32Å; V567-L570 WeakPolarHBondContact O-CB 3.49Å; V567-L570 PolarHBondContact O-N 3.08Å; V567-L570 VanDerWaalsContact O-N 3.11Å; V567-L571 PolarHBondContact O-N 3.39Å
568F86.3Confident83.3Confident5 Ų544.6 Ų44.62%0.02222%0.221CC..Hα-helixtrans-57.5-39.3168.7-76.9-71000111.4L512 E516 T564 L565 R572L512-F568 HydrophobicContact CD1-CD1 3.75Å; L512-F568 HydrophobicContact CD1-CD2 4.36Å; L512-F568 HydrophobicContact CD1-CE1 3.78Å; L512-F568 HydrophobicContact CD1-CE2 4.38Å; L512-F568 HydrophobicContact CD1-CG 4.05Å; L512-F568 HydrophobicContact CD1-CZ 4.1Å; L512-F568 HydrophobicContact CD2-CD1 3.9Å; L512-F568 HydrophobicContact CD2-CE1 4.04Å; L512-F568 HydrophobicContact CG-CD1 4.46Å; L512-F568 HydrophobicContact CG-CE1 4.38Å; E516-F568 HydrophobicContact CG-CZ 4.44Å; E516-F568 WeakPolarHBondContact OE1-CE1 3.37Å; T564-F568 WeakPolarHBondContact O-CD2 3.4Å; T564-F568 PolarHBondContact O-N 2.87Å; L565-F568 PolarHBondContact O-N 3.2Å; F568-R572 WeakPolarHBondContact O-CB 3.4Å; F568-R572 PolarHBondContact O-N 3.43Å
569L83.6Confident82.6Confident72 Ų7245.1 Ų45.138%0.37722%0.217SC..Hα-helixtrans-68.5-37.6174.4-175.5142000112.3L565 V567 R572 L573L565-L569 WeakPolarHBondContact O-CB 3.43Å; L565-L569 PolarHBondContact O-N 3.27Å; L565-L569 VanDerWaalsContact O-N 3.08Å; V567-L569 PolarHBondContact O-N 2.99Å; L569-R572 PolarHBondContact O-N 3.41Å; L569-L573 HydrophobicContact CD2-CD1 3.57Å; L569-L573 HydrophobicContact CD2-CG 4.09Å; L569-L573 HydrophobicContact CG-CD1 4.47Å; L569-L573 WeakPolarHBondContact O-CB 3.46Å; L569-L573 WeakPolarHBondContact O-CG 3.41Å; L569-L573 PolarHBondContact O-N 3.4Å
570L86.7Confident81.8Confident4 Ų444.6 Ų44.62%0.02121%0.21CC..Hα-helixtrans-58.3-48.4174-16777.1000111.3A468 F505 A508 P566 V567 L573 A574A468-L570 HydrophobicContact CB-CD1 4.1Å; A468-L570 HydrophobicContact CB-CD2 4.21Å; F505-L570 HydrophobicContact CD1-CD1 3.76Å; F505-L570 HydrophobicContact CD1-CG 4.32Å; F505-L570 HydrophobicContact CE1-CD1 3.62Å; A508-L570 HydrophobicContact CB-CD2 3.75Å; A508-L570 HydrophobicContact CB-CG 3.94Å; P566-L570 WeakPolarHBondContact O-CB 3.48Å; P566-L570 PolarHBondContact O-N 3.38Å; V567-L570 VanDerWaalsContact O-CB 3.32Å; V567-L570 WeakPolarHBondContact O-CB 3.49Å; V567-L570 PolarHBondContact O-N 3.08Å; V567-L570 VanDerWaalsContact O-N 3.11Å; L570-L573 PolarHBondContact O-N 3.46Å; L570-A574 WeakPolarHBondContact O-CB 3.28Å; L570-A574 PolarHBondContact O-N 2.61Å
571L87.2Confident80.9Confident20 Ų2049.5 Ų49.511%0.10523%0.233CC..Hα-helixtrans-64.9-42.7176.5-178.460.5000111.6P509 L512 V567 L573 A574 R575P509-L571 HydrophobicContact CB-CD1 4.03Å; L512-L571 HydrophobicContact CD2-CB 4.3Å; L512-L571 HydrophobicContact CD2-CD2 3.41Å; L512-L571 VanDerWaalsContact CD2-CD2 3.41Å; L512-L571 HydrophobicContact CD2-CG 4.48Å; V567-L571 PolarHBondContact O-N 3.39Å; L571-L573 PolarHBondContact O-N 2.86Å; L571-A574 PolarHBondContact O-N 2.95Å; L571-R575 HydrophobicContact CD1-CG 3.9Å; L571-R575 HydrophobicContact CG-CG 4.17Å; L571-R575 WeakPolarHBondContact O-CB 3.45Å; L571-R575 WeakPolarHBondContact O-CG 3.45Å; L571-R575 PolarHBondContact O-N 3.11Å
572R85Confident80.3Confident72 Ų7252.7 Ų52.727%0.27226%0.256SS..Hα-helixtrans-60.9-42.8177.3-172.6176.4168.7106.7-10.3111.9W223 S224 F568 L569 R576W223-R572 VanDerWaalsContact CE2-NH1 3.34Å; W223-R572 VanDerWaalsContact CH2-CD 3.41Å; W223-R572 HydrophobicContact CZ3-CB 4.4Å; W223-R572 PolarHBondContact O-NH1 3.02Å; S224-R572 WeakPolarHBondContact O-CA 3.34Å; F568-R572 WeakPolarHBondContact O-CB 3.4Å; F568-R572 PolarHBondContact O-N 3.43Å; L569-R572 PolarHBondContact O-N 3.41Å; R572-R576 WeakPolarHBondContact O-CB 3.43Å; R572-R576 PolarHBondContact O-N 3.3Å
573L82.1Confident79.3Confident21 Ų2148.7 Ų48.711%0.1124%0.235CC..Hα-helixtrans-64.4-44.1175.2-73.7-179.2000111.5I461 S464 L569 L570 L571 R576 E577I461-L573 HydrophobicContact CG2-CD2 4.26Å; S464-L573 WeakPolarHBondContact OG-CD1 3.41Å; L569-L573 HydrophobicContact CD2-CD1 3.57Å; L569-L573 HydrophobicContact CD2-CG 4.09Å; L569-L573 HydrophobicContact CG-CD1 4.47Å; L569-L573 WeakPolarHBondContact O-CB 3.46Å; L569-L573 WeakPolarHBondContact O-CG 3.41Å; L569-L573 PolarHBondContact O-N 3.4Å; L570-L573 PolarHBondContact O-N 3.46Å; L571-L573 PolarHBondContact O-N 2.86Å; L573-R576 PolarHBondContact O-N 2.85Å; L573-E577 WeakPolarHBondContact O-CB 3.49Å; L573-E577 PolarHBondContact O-N 3.31Å
574A82.5Confident78.3Confident18 Ų1849.5 Ų49.515%0.14924%0.244CC..Hα-helixtrans-62.7-44.8176.800000112.6F505 L570 L571 K578F505-A574 HydrophobicContact CB-CB 4.34Å; L570-A574 WeakPolarHBondContact O-CB 3.28Å; L570-A574 PolarHBondContact O-N 2.61Å; L571-A574 PolarHBondContact O-N 2.95Å; A574-K578 WeakPolarHBondContact O-CB 3.27Å; A574-K578 PolarHBondContact O-N 3.04Å
575R82.5Confident76.9Confident123 Ų12353.2 Ų53.246%0.46426%0.264SS..Hα-helixtrans-66.8-37175.8-66.5-67.9-74.8-164.6-4.3112L571 F579L571-R575 HydrophobicContact CD1-CG 3.9Å; L571-R575 HydrophobicContact CG-CG 4.17Å; L571-R575 WeakPolarHBondContact O-CB 3.45Å; L571-R575 WeakPolarHBondContact O-CG 3.45Å; L571-R575 PolarHBondContact O-N 3.11Å; R575-F579 WeakPolarHBondContact O-CB 3.33Å; R575-F579 PolarHBondContact O-N 2.93Å
576R77.7Confident75.6Confident30 Ų3057.5 Ų57.511%0.11328%0.276CS..Hα-helixtrans-69-42.2176.3-170.8-164.876.1167.78.3112.1Y226 S427 D431 R572 L573 F579 Y580Y226-R576 HydrophobicContact CD2-CB 4.29Å; Y226-R576 HydrophobicContact CD2-CG 4.4Å; Y226-R576 HydrophobicContact CE2-CB 4.2Å; Y226-R576 HydrophobicContact CE2-CG 3.81Å; S427-R576 PolarHBondContact OG-NH2 2.91Å; S427-R576 VanDerWaalsContact OG-NH2 3.08Å; D431-R576 IonicContact OD1-CZ 2.69Å; D431-R576 IonicContact OD1-NH1 2.74Å; D431-R576 PolarHBondContact OD1-NH1 2.92Å; D431-R576 IonicContact OD1-NH2 3.16Å; D431-R576 IonicContact OD2-CZ 3.6Å; D431-R576 IonicContact OD2-NH1 2.77Å; D431-R576 PolarHBondContact OD2-NH1 3.46Å; D431-R576 IonicContact OD2-NH2 3.44Å; D431-R576 PolarHBondContact OD2-NH2 3.21Å; R572-R576 WeakPolarHBondContact O-CB 3.43Å; R572-R576 PolarHBondContact O-N 3.3Å; L573-R576 PolarHBondContact O-N 2.85Å; R576-F579 PolarHBondContact O-N 2.82Å; R576-Y580 HydrophobicContact CG-CD2 3.79Å; R576-Y580 HydrophobicContact CG-CE2 3.63Å; R576-Y580 VanDerWaalsContact O-CD2 3.25Å; R576-Y580 WeakPolarHBondContact O-CD2 3.38Å; R576-Y580 PolarHBondContact O-N 3.36Å
577E74.8Confident74.4Confident48 Ų4860.4 Ų60.422%0.22429%0.286CS..Hα-helixtrans-62.8-46.2174.6-163.2155.8-152.900109.6R501 F505 L573 F579 Y580 E581R501-E577 IonicContact CZ-OE1 3.89Å; R501-E577 IonicContact CZ-OE2 2.93Å; R501-E577 IonicContact NH2-OE1 3.07Å; R501-E577 PolarHBondContact NH2-OE1 2.98Å; R501-E577 IonicContact NH2-OE2 3.68Å; R501-E577 PolarHBondContact NH2-OE2 3.09Å; F505-E577 WeakPolarHBondContact CE2-OE2 3.28Å; L573-E577 WeakPolarHBondContact O-CB 3.49Å; L573-E577 PolarHBondContact O-N 3.31Å; E577-F579 PolarHBondContact O-N 3.04Å; E577-Y580 PolarHBondContact O-N 3.36Å; E577-E581 WeakPolarHBondContact O-CB 3.24Å; E577-E581 WeakPolarHBondContact O-CG 3.37Å; E577-E581 PolarHBondContact O-N 2.93Å
578K76.6Confident73.2Confident142 Ų14261.8 Ų61.862%0.61729%0.291SS*.Hα-helixtrans-61.5-35.9173.8-164.6168.9-173.4172.40113.9A574 E581 S582A574-K578 WeakPolarHBondContact O-CB 3.27Å; A574-K578 PolarHBondContact O-N 3.04Å; K578-E581 PolarHBondContact O-N 3.33Å; K578-S582 WeakPolarHBondContact O-CB 3.48Å; K578-S582 PolarHBondContact O-N 3.4Å; K578-S582 VanDerWaalsContact O-N 3.11Å
579F71.1Confident71.6Confident68 Ų6865.4 Ų65.430%0.29831%0.308SS..Hα-helixtrans-68.1-47.7174.2175.5-98.7000111.8Y226 R575 R576 E577 E581 S582 L583Y226-F579 HydrophobicContact CD1-CB 4.34Å; Y226-F579 HydrophobicContact CD1-CD1 4.33Å; Y226-F579 HydrophobicContact CD1-CG 4.17Å; Y226-F579 HydrophobicContact CE1-CB 4.32Å; Y226-F579 AromaticContact CE1-CD1 3.57Å; Y226-F579 HydrophobicContact CE1-CD1 3.57Å; Y226-F579 HydrophobicContact CE1-CD2 4.48Å; Y226-F579 AromaticContact CE1-CE1 3.92Å; Y226-F579 HydrophobicContact CE1-CE1 3.92Å; Y226-F579 AromaticContact CE1-CG 3.87Å; Y226-F579 HydrophobicContact CE1-CG 3.87Å; R575-F579 WeakPolarHBondContact O-CB 3.33Å; R575-F579 PolarHBondContact O-N 2.93Å; R576-F579 PolarHBondContact O-N 2.82Å; E577-F579 PolarHBondContact O-N 3.04Å; F579-E581 PolarHBondContact O-N 3.06Å; F579-S582 PolarHBondContact O-N 3.13Å; F579-S582 PolarHBondContact O-OG 3.11Å; F579-S582 VanDerWaalsContact O-OG 3.06Å; F579-L583 HydrophobicContact CD1-CD1 3.86Å; F579-L583 HydrophobicContact CE1-CD1 3.54Å; F579-L583 HydrophobicContact CZ-CD1 3.96Å; F579-L583 WeakPolarHBondContact O-CD1 3.45Å; F579-L583 PolarHBondContact O-N 3.02Å
580Y67.9Low70.1Confident39 Ų3970.1 Ų70.115%0.15332%0.321CS..Hα-helixtrans-65.7-23.1175.5-78.9-63.4000112.9V430 R576 E577 L583 R588V430-Y580 HydrophobicContact CG1-CE1 4.41Å; R576-Y580 HydrophobicContact CG-CD2 3.79Å; R576-Y580 HydrophobicContact CG-CE2 3.63Å; R576-Y580 VanDerWaalsContact O-CD2 3.25Å; R576-Y580 WeakPolarHBondContact O-CD2 3.38Å; R576-Y580 PolarHBondContact O-N 3.36Å; E577-Y580 PolarHBondContact O-N 3.36Å; Y580-L583 HydrophobicContact CD1-CD1 4.03Å; Y580-R588 PolarHBondContact O-NE 3.33Å; Y580-R588 PolarHBondContact O-NH2 3.42Å
581E67.1Low68.4Low108 Ų10875 Ų7551%0.50534%0.339SS..Hα-helixtrans-78.2-15.7168.1-71.7-171.814000114.2K424 E577 K578 F579K424-E581 IonicContact NZ-OE1 3.44Å; K424-E581 PolarHBondContact NZ-OE1 3.41Å; E577-E581 WeakPolarHBondContact O-CB 3.24Å; E577-E581 WeakPolarHBondContact O-CG 3.37Å; E577-E581 PolarHBondContact O-N 2.93Å; K578-E581 PolarHBondContact O-N 3.33Å; F579-E581 PolarHBondContact O-N 3.06Å
582S69.4Low66.7Low82 Ų8276.3 Ų76.357%0.57335%0.346SS*.Hα-helixtrans-105.5-5-178.476.90000115.5K578 F579K578-S582 WeakPolarHBondContact O-CB 3.48Å; K578-S582 PolarHBondContact O-N 3.4Å; K578-S582 VanDerWaalsContact O-N 3.11Å; F579-S582 PolarHBondContact O-N 3.13Å; F579-S582 PolarHBondContact O-OG 3.11Å; F579-S582 VanDerWaalsContact O-OG 3.06Å
583L62.8Low65Low20 Ų2078.3 Ų78.311%0.10536%0.362CS..SBendtrans-65136.7169.3-88.8103.5000110.1F579 Y580 E587 R588F579-L583 HydrophobicContact CD1-CD1 3.86Å; F579-L583 HydrophobicContact CE1-CD1 3.54Å; F579-L583 HydrophobicContact CZ-CD1 3.96Å; F579-L583 WeakPolarHBondContact O-CD1 3.45Å; F579-L583 PolarHBondContact O-N 3.02Å; Y580-L583 HydrophobicContact CD1-CD1 4.03Å; L583-E587 HydrophobicContact CD2-CB 4.01Å; L583-R588 HydrophobicContact CB-CG 3.96Å; L583-R588 HydrophobicContact CD2-CG 4.29Å
584S64.7Low63.5Low52 Ų5281.5 Ų81.536%0.36439%0.386SS..  trans-63.5151.4167.867.20000111.1Y586 E587 R588S584-Y586 PolarHBondContact O-N 2.93Å; S584-E587 WeakPolarHBondContact CB-OE2 3.4Å; S584-E587 PolarHBondContact N-OE2 2.94Å; S584-E587 VanDerWaalsContact N-OE2 3.15Å; S584-E587 PolarHBondContact O-N 3.21Å; S584-E587 VanDerWaalsContact O-N 3.12Å; S584-E587 WeakPolarHBondContact OG-CB 3.39Å; S584-E587 VanDerWaalsContact OG-CD 3.26Å; S584-E587 WeakPolarHBondContact OG-CG 3.36Å; S584-E587 PolarHBondContact OG-N 3.09Å; S584-E587 PolarHBondContact OG-OE2 3.33Å; S584-R588 PolarHBondContact O-N 2.82Å
585D56Low61.7Low80 Ų8085.7 Ų85.743%0.42840%0.399SS..Hα-helixtrans-58.7-33.6178.5-76.4-34.1000111.8L422 R588 Q589L422-D585 HydrophobicContact CD1-CB 4.47Å; D585-R588 WeakPolarHBondContact O-CB 3.49Å; D585-R588 PolarHBondContact O-N 2.66Å; D585-Q589 WeakPolarHBondContact O-CB 3.25Å; D585-Q589 PolarHBondContact O-N 3.21Å
586Y54.2Low59.5Low169 Ų16983.1 Ų83.166%0.66341%0.411SS*.Hα-helixtrans-65.3-45174.3177.7-107.2000113.1S584 R588 Q589 R590S584-Y586 PolarHBondContact O-N 2.93Å; Y586-R588 VanDerWaalsContact C-N 3.34Å; Y586-Q589 WeakPolarHBondContact O-CB 3.38Å; Y586-Q589 PolarHBondContact O-N 3.07Å; Y586-R590 WeakPolarHBondContact O-CB 3.41Å; Y586-R590 PolarHBondContact O-N 2.85Å
587E60Low57.7Low94 Ų9487.1 Ų87.144%0.43944%0.438SS..Hα-helixtrans-69.9-32.2177.6-68.3166118.100112.4L583 S584 R591L583-E587 HydrophobicContact CD2-CB 4.01Å; S584-E587 WeakPolarHBondContact CB-OE2 3.4Å; S584-E587 PolarHBondContact N-OE2 2.94Å; S584-E587 VanDerWaalsContact N-OE2 3.15Å; S584-E587 PolarHBondContact O-N 3.21Å; S584-E587 VanDerWaalsContact O-N 3.12Å; S584-E587 WeakPolarHBondContact OG-CB 3.39Å; S584-E587 VanDerWaalsContact OG-CD 3.26Å; S584-E587 WeakPolarHBondContact OG-CG 3.36Å; S584-E587 PolarHBondContact OG-N 3.09Å; S584-E587 PolarHBondContact OG-OE2 3.33Å; E587-R591 PolarHBondContact O-N 3.33Å; E587-R591 VanDerWaalsContact O-N 3.17Å
588R57.9Low55.8Low30 Ų3091.1 Ų91.111%0.11346%0.455CS..Hα-helixtrans-58.4-53.4165.7-90.2173.6169-148.3-7.1110.3V425 Y580 L583 S584 D585 Y586 R590 R591 I592V425-R588 PolarHBondContact O-NH2 3.09Å; V425-R588 VanDerWaalsContact O-NH2 3.07Å; Y580-R588 PolarHBondContact O-NE 3.33Å; Y580-R588 PolarHBondContact O-NH2 3.42Å; L583-R588 HydrophobicContact CB-CG 3.96Å; L583-R588 HydrophobicContact CD2-CG 4.29Å; S584-R588 PolarHBondContact O-N 2.82Å; D585-R588 WeakPolarHBondContact O-CB 3.49Å; D585-R588 PolarHBondContact O-N 2.66Å; Y586-R588 VanDerWaalsContact C-N 3.34Å; R588-R590 PolarHBondContact O-N 2.95Å; R588-R591 PolarHBondContact O-N 2.91Å; R588-I592 HydrophobicContact CB-CD1 4.48Å; R588-I592 WeakPolarHBondContact O-CB 3.13Å; R588-I592 WeakPolarHBondContact O-CD1 3.42Å; R588-I592 WeakPolarHBondContact O-CG1 3.44Å; R588-I592 PolarHBondContact O-N 3.47Å
589Q53.1Low53.6Low82 Ų8287.8 Ų87.838%0.38346%0.461SS..Hα-helixtrans-58.8-44.8-179.5-138.979.5-16.200112.1D585 Y586 R591 I592 N593D585-Q589 WeakPolarHBondContact O-CB 3.25Å; D585-Q589 PolarHBondContact O-N 3.21Å; Y586-Q589 WeakPolarHBondContact O-CB 3.38Å; Y586-Q589 PolarHBondContact O-N 3.07Å; Q589-R591 PolarHBondContact O-N 2.96Å; Q589-I592 PolarHBondContact O-N 3.5Å; Q589-N593 PolarHBondContact O-N 3.2Å
590R52Low51.6Low171 Ų17189.4 Ų89.465%0.64549%0.487SS*.Hα-helixtrans-62-43.7-179.8-171.3175.5-179.6-175.90.1111.8Y586 R588 S594Y586-R590 WeakPolarHBondContact O-CB 3.41Å; Y586-R590 PolarHBondContact O-N 2.85Å; R588-R590 PolarHBondContact O-N 2.95Å; R590-S594 PolarHBondContact O-N 3.39Å
591R51.1Low50Low106 Ų10692.2 Ų92.240%0.451%0.512SS..Hα-helixtrans-71-33.9174.1-70.1-162.8-127.3-156.2-0.5112.9E587 R588 Q589 N593 S594 Y595E587-R591 PolarHBondContact O-N 3.33Å; E587-R591 VanDerWaalsContact O-N 3.17Å; R588-R591 PolarHBondContact O-N 2.91Å; Q589-R591 PolarHBondContact O-N 2.96Å; R591-N593 VanDerWaalsContact C-N 3.34Å; R591-S594 WeakPolarHBondContact CA-OG 3.13Å; R591-S594 PolarHBondContact O-N 3.26Å; R591-S594 PolarHBondContact O-OG 2.85Å; R591-Y595 WeakPolarHBondContact O-CD2 3.32Å; R591-Y595 PolarHBondContact O-N 2.84Å
592I51.7Low48.3Very low47 Ų4795.4 Ų95.424%0.24152%0.524CS..Hα-helixtrans-61.9-43.3175.4-74.2163.6000110.7R588 Q589 S594 Y595 F598R588-I592 HydrophobicContact CB-CD1 4.48Å; R588-I592 WeakPolarHBondContact O-CB 3.13Å; R588-I592 WeakPolarHBondContact O-CD1 3.42Å; R588-I592 WeakPolarHBondContact O-CG1 3.44Å; R588-I592 PolarHBondContact O-N 3.47Å; Q589-I592 PolarHBondContact O-N 3.5Å; I592-S594 PolarHBondContact O-N 2.82Å; I592-Y595 PolarHBondContact O-N 3.45Å; I592-F598 HydrophobicContact CG2-CB 4.04Å; I592-F598 HydrophobicContact CG2-CD2 3.66Å; I592-F598 HydrophobicContact CG2-CE2 4.34Å; I592-F598 HydrophobicContact CG2-CG 3.94Å
593N49.5Very low46.6Very low114 Ų11498.4 Ų98.461%0.6154%0.539SS*.Hα-helixtrans-68-33.5179.3-71.1-4.6000112.9Q589 R591 Y595 G596Q589-N593 PolarHBondContact O-N 3.2Å; R591-N593 VanDerWaalsContact C-N 3.34Å; N593-Y595 PolarHBondContact O-N 2.85Å; N593-G596 PolarHBondContact O-N 3.19Å
594S50.5Low45.1Very low88 Ų88101.2 Ų101.262%0.61557%0.573SS**Hα-helixtrans-71-10.9175.563.70000114.4R590 R591 I592R590-S594 PolarHBondContact O-N 3.39Å; R591-S594 WeakPolarHBondContact CA-OG 3.13Å; R591-S594 PolarHBondContact O-N 3.26Å; R591-S594 PolarHBondContact O-OG 2.85Å; I592-S594 PolarHBondContact O-N 2.82Å
595Y44.3Very low43.5Very low107 Ų107103.8 Ų103.842%0.4260%0.598SS.*THydrogen-bonded Turntrans-96.412.3171.6-70.1-69.4000113.5E350 R591 I592 N593 T597E350-Y595 PolarHBondContact OE1-OH 2.86Å; R591-Y595 WeakPolarHBondContact O-CD2 3.32Å; R591-Y595 PolarHBondContact O-N 2.84Å; I592-Y595 PolarHBondContact O-N 3.45Å; N593-Y595 PolarHBondContact O-N 2.85Å; Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.44Å; Y595-T597 PolarHBondContact O-OG1 3.09Å
596G36.2Very low42.1Very low69 Ų69103.4 Ų103.471%0.71161%0.613SS**SBendtrans676.115100000119.5N593N593-G596 PolarHBondContact O-N 3.19Å
597T41.4Very low41Very low114 Ų11499.6 Ų99.670%0.69963%0.625SS**  trans-134.65.7-167.740.70000116.3Y595 G599Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.44Å; Y595-T597 PolarHBondContact O-OG1 3.09Å; T597-G599 PolarHBondContact O-N 2.64Å
598F33.2Very low39.6Very low132 Ų13299.6 Ų99.658%0.57963%0.631SS**  trans-101.370.9-179.6-69-81.5000112.8I592I592-F598 HydrophobicContact CG2-CB 4.04Å; I592-F598 HydrophobicContact CG2-CD2 3.66Å; I592-F598 HydrophobicContact CG2-CE2 4.34Å; I592-F598 HydrophobicContact CG2-CG 3.94Å
599G30.8Very low38.2Very low71 Ų71102.9 Ų102.973%0.73267%0.665SS**  trans-132.2119.1179.400000114.2T597T597-G599 PolarHBondContact O-N 2.64Å
600A30.3Very low37.6Very low103 Ų103104 Ų10485%0.85168%0.677SS**  trans71.5125.4163.400000121.5
601S34.1Very low36.7Very low97 Ų9799.7 Ų99.768%0.67868%0.678SS**  trans78.5135.5148.8-114.10000121.5
602K30.8Very low35.8Very low175 Ų175103.3 Ų103.376%0.76170%0.696SS**  cis-170.5158.4-40.2-114.1168179.2179.50106.2
603T34.6Very low35.1Very low145 Ų145106.4 Ų106.489%0.8971%0.708SS**  trans53.6131.8162.153.90000119.2
604G31.4Very low34.5Very low79 Ų79110.1 Ų110.181%0.81472%0.722SS**  cis136.6136.72.500000109.8
605A30.8Very low33.9Very low107 Ų107110.7 Ų110.788%0.88472%0.718SS**  cis-162.2174.4-700000110.9
606G26.9Very low33.7Very low72 Ų72110.2 Ų110.274%0.74273%0.728SS**SBendtrans109.9101.9166.500000117.5
607G30Very low33.8Very low89 Ų89115.3 Ų115.392%0.91873%0.731SS**SBendtrans96.134.8169.100000117.6
608V30.9Very low33.8Very low94 Ų94111.5 Ų111.557%0.5771%0.709SS**  trans-105122.8-155.6-179.10000116.2
609A28.7Very low34.4Very low99 Ų99115.1 Ų115.182%0.81872%0.718SS**SBendtrans-139.7-4.1139.100000113.9
610V41.2Very low35.2Very low105 Ų105119.3 Ų119.364%0.63672%0.716SS**SBendtrans-122.3-4.8-166.8-177.20000113.2K612 F613V610-K612 PolarHBondContact O-N 3.37Å; V610-F613 WeakPolarHBondContact O-CD2 3.31Å
611A32.6Very low36.1Very low80 Ų80121.1 Ų121.166%0.66171%0.706SS**THydrogen-bonded Turntrans-98.833.4-15800000117.3
612K31.3Very low36.5Very low182 Ų182118.7 Ų118.779%0.79169%0.691SS**THydrogen-bonded Turntrans-123.623.4169.3-126.5-172.1-175-167.90114.4V610V610-K612 PolarHBondContact O-N 3.37Å
613F38.2Very low37.6Very low112 Ų112113 Ų11349%0.49168%0.677SS.*  trans-90.697170.7-75.4-84.4000110.7V610 D615 S618V610-F613 WeakPolarHBondContact O-CD2 3.31Å; F613-D615 VanDerWaalsContact C-N 3.3Å; F613-S618 WeakPolarHBondContact CB-OG 3.41Å; F613-S618 VanDerWaalsContact CD1-OG 3.28Å; F613-S618 WeakPolarHBondContact CD1-OG 3.47Å; F613-S618 VanDerWaalsContact CG-OG 3.23Å; F613-S618 WeakPolarHBondContact CG-OG 3.08Å
614Q35.4Very low38.7Very low192 Ų192111.5 Ų111.590%0.89766%0.658SS**  trans-85.8-0.6179.1-137.1159.2-20.300113.2
615D39Very low39.8Very low100 Ų100111.1 Ų111.154%0.53564%0.64SS.*  trans-79.5127174.2-75.9-42.4000112.3F613 K617 S618F613-D615 VanDerWaalsContact C-N 3.3Å; D615-K617 PolarHBondContact O-N 2.84Å; D615-S618 PolarHBondContact O-N 3.41Å
616P40.1Very low41.4Very low97 Ų97112.9 Ų112.963%0.6363%0.63SS**Hα-helixtrans-63.3-15.6177.825-34000113.8
617K38Very low43.2Very low177 Ų177115.9 Ų115.977%0.7762%0.62SS**Hα-helixtrans-75.5-27.3174.8-65.5179.3-179.3175.10112.8D615D615-K617 PolarHBondContact O-N 2.84Å
618S42.3Very low44.9Very low33 Ų33115.6 Ų115.623%0.23160%0.597CS.*Hα-helixtrans-77.4-39.8179.6-172.80000112.8F613 D615 K620 F621 A622F613-S618 WeakPolarHBondContact CB-OG 3.41Å; F613-S618 VanDerWaalsContact CD1-OG 3.28Å; F613-S618 WeakPolarHBondContact CD1-OG 3.47Å; F613-S618 VanDerWaalsContact CG-OG 3.23Å; F613-S618 WeakPolarHBondContact CG-OG 3.08Å; D615-S618 PolarHBondContact O-N 3.41Å; S618-K620 PolarHBondContact O-N 3.46Å; S618-F621 PolarHBondContact O-N 3.29Å; S618-A622 PolarHBondContact O-N 3.2Å; S618-A622 VanDerWaalsContact O-N 3.1Å
619R44.8Very low46.4Very low208 Ų208114.7 Ų114.779%0.78559%0.594SS**Hα-helixtrans-53.8-38.2173-96.5-176.3172.2177.6-1.6112.6A622 A623R619-A622 PolarHBondContact O-N 2.8Å; R619-A623 WeakPolarHBondContact O-CB 3.28Å; R619-A623 PolarHBondContact O-N 2.82Å
620K48.3Very low48.3Very low159 Ų159114.8 Ų114.869%0.69158%0.581SS**Hα-helixtrans-63.9-38.5177.7-67.2-179-178.3-179.10112.3S618 F624S618-K620 PolarHBondContact O-N 3.46Å; K620-F624 VanDerWaalsContact O-CB 3.25Å; K620-F624 WeakPolarHBondContact O-CB 3.29Å; K620-F624 PolarHBondContact O-N 3.33Å
621F48.1Very low49.6Very low142 Ų142113.8 Ų113.862%0.62357%0.568SS**Hα-helixtrans-72.3-42.2177.6-172.3-101.5000112.1S618 F624 V625S618-F621 PolarHBondContact O-N 3.29Å; F621-F624 PolarHBondContact O-N 3.24Å; F621-V625 HydrophobicContact CD1-CG2 4.18Å; F621-V625 HydrophobicContact CE1-CG2 3.8Å; F621-V625 HydrophobicContact CE2-CG2 4.44Å; F621-V625 HydrophobicContact CZ-CG2 3.95Å; F621-V625 WeakPolarHBondContact O-CG2 3.42Å; F621-V625 PolarHBondContact O-N 3.05Å
622A44.1Very low51.4Low46 Ų46112.7 Ų112.738%0.3855%0.554SS.*Hα-helixtrans-60.6-47.5174.900000111.9S618 R619 F624 V625 E626S618-A622 PolarHBondContact O-N 3.2Å; S618-A622 VanDerWaalsContact O-N 3.1Å; R619-A622 PolarHBondContact O-N 2.8Å; A622-F624 VanDerWaalsContact C-N 3.31Å; A622-F624 PolarHBondContact O-N 3.01Å; A622-V625 PolarHBondContact O-N 3.33Å; A622-E626 WeakPolarHBondContact O-CB 3.45Å; A622-E626 PolarHBondContact O-N 3.41Å
623A53.6Low53.2Low55 Ų55104.2 Ų104.246%0.45552%0.517SS..Hα-helixtrans-64.7-32.4175.700000112.9R619 Y627R619-A623 WeakPolarHBondContact O-CB 3.28Å; R619-A623 PolarHBondContact O-N 2.82Å; A623-Y627 VanDerWaalsContact O-CB 3.22Å; A623-Y627 WeakPolarHBondContact O-CB 3.42Å; A623-Y627 PolarHBondContact O-N 3.25Å
624F57.3Low54.9Low113 Ų113101.2 Ų101.250%0.49651%0.508SS..Hα-helixtrans-67.5-44173174.8-99.8000112.1K620 F621 A622 E626 Y627 L628K620-F624 VanDerWaalsContact O-CB 3.25Å; K620-F624 WeakPolarHBondContact O-CB 3.29Å; K620-F624 PolarHBondContact O-N 3.33Å; F621-F624 PolarHBondContact O-N 3.24Å; A622-F624 VanDerWaalsContact C-N 3.31Å; A622-F624 PolarHBondContact O-N 3.01Å; F624-E626 VanDerWaalsContact C-N 3.34Å; F624-Y627 PolarHBondContact O-N 3.41Å; F624-L628 HydrophobicContact CE1-CD2 4.24Å; F624-L628 HydrophobicContact CZ-CD2 4.47Å; F624-L628 WeakPolarHBondContact O-CB 3.29Å; F624-L628 PolarHBondContact O-N 2.94Å
625V54.2Low57Low72 Ų7298.5 Ų98.544%0.43649%0.49SS..Hα-helixtrans-65.1-38.3176.11720000111.1F621 A622 S629F621-V625 HydrophobicContact CD1-CG2 4.18Å; F621-V625 HydrophobicContact CE1-CG2 3.8Å; F621-V625 HydrophobicContact CE2-CG2 4.44Å; F621-V625 HydrophobicContact CZ-CG2 3.95Å; F621-V625 WeakPolarHBondContact O-CG2 3.42Å; F621-V625 PolarHBondContact O-N 3.05Å; A622-V625 PolarHBondContact O-N 3.33Å; V625-S629 WeakPolarHBondContact O-CB 3.36Å; V625-S629 PolarHBondContact O-N 2.95Å
626E64.2Low59.1Low144 Ų14495 Ų9567%0.67347%0.471SS*.Hα-helixtrans-67.4-45.1174.7-171.1174.3-169.600112.2A622 F624 S629 N630A622-E626 WeakPolarHBondContact O-CB 3.45Å; A622-E626 PolarHBondContact O-N 3.41Å; F624-E626 VanDerWaalsContact C-N 3.34Å; E626-S629 PolarHBondContact O-N 3.5Å; E626-N630 WeakPolarHBondContact O-CB 3.39Å; E626-N630 PolarHBondContact O-N 3.32Å
627Y65.6Low61.1Low134 Ų13491 Ų9153%0.52544%0.444SS..Hα-helixtrans-59-46.4172.7170.9-95.9000111.9A623 F624 N630 K631A623-Y627 VanDerWaalsContact O-CB 3.22Å; A623-Y627 WeakPolarHBondContact O-CB 3.42Å; A623-Y627 PolarHBondContact O-N 3.25Å; F624-Y627 PolarHBondContact O-N 3.41Å; Y627-N630 PolarHBondContact O-N 3.35Å; Y627-K631 HydrophobicContact CD1-CG 4.35Å; Y627-K631 HydrophobicContact CD2-CG 4.23Å; Y627-K631 HydrophobicContact CE1-CG 3.95Å; Y627-K631 HydrophobicContact CE2-CD 4.3Å; Y627-K631 VanDerWaalsContact CE2-CE 3.48Å; Y627-K631 HydrophobicContact CE2-CG 3.83Å; Y627-K631 HydrophobicContact CG-CG 4.48Å; Y627-K631 WeakPolarHBondContact O-CB 3.37Å; Y627-K631 VanDerWaalsContact O-CG 3.32Å; Y627-K631 WeakPolarHBondContact O-CG 3.39Å; Y627-K631 PolarHBondContact O-N 3.36Å; Y627-K631 WeakPolarHBondContact OH-CE 3.35Å
628L65.1Low63.2Low84 Ų8488.4 Ų88.444%0.4443%0.433SS..Hα-helixtrans-64.1-46.5179.3-175.365.6000110.8F624 N630 K631 V632F624-L628 HydrophobicContact CE1-CD2 4.24Å; F624-L628 HydrophobicContact CZ-CD2 4.47Å; F624-L628 WeakPolarHBondContact O-CB 3.29Å; F624-L628 PolarHBondContact O-N 2.94Å; L628-N630 PolarHBondContact O-N 3.45Å; L628-K631 PolarHBondContact O-N 3.26Å; L628-V632 HydrophobicContact CD1-CG2 4.24Å; L628-V632 HydrophobicContact CG-CG2 4.35Å; L628-V632 WeakPolarHBondContact O-CB 3.36Å; L628-V632 VanDerWaalsContact O-CG2 3.24Å; L628-V632 WeakPolarHBondContact O-CG2 3.03Å; L628-V632 PolarHBondContact O-N 3.07Å
629S62.2Low65.2Low74 Ų7490.2 Ų90.252%0.51744%0.442SS..Hα-helixtrans-56.6-48.5175.4-178.30000111.7V625 E626 V632 S633V625-S629 WeakPolarHBondContact O-CB 3.36Å; V625-S629 PolarHBondContact O-N 2.95Å; E626-S629 PolarHBondContact O-N 3.5Å; S629-V632 PolarHBondContact O-N 3.16Å; S629-S633 WeakPolarHBondContact O-CB 3.38Å; S629-S633 PolarHBondContact O-N 3.44Å
630N69.3Low67.1Low102 Ų10280.3 Ų80.355%0.54540%0.404SS..Hα-helixtrans-65.3-42.3179.3-159.7-0.1000111.7E626 Y627 L628 S633 V634E626-N630 WeakPolarHBondContact O-CB 3.39Å; E626-N630 PolarHBondContact O-N 3.32Å; Y627-N630 PolarHBondContact O-N 3.35Å; L628-N630 PolarHBondContact O-N 3.45Å; N630-S633 PolarHBondContact O-N 3.01Å; N630-S633 PolarHBondContact O-OG 3.17Å; N630-V634 PolarHBondContact O-N 2.9Å
631K67.8Low68.9Low83 Ų8373.8 Ų73.836%0.36138%0.379SS..Hα-helixtrans-65.9-44.5176-75.2-70.2-177.7-1800113.3Y627 L628 S633 V634 Y635Y627-K631 HydrophobicContact CD1-CG 4.35Å; Y627-K631 HydrophobicContact CD2-CG 4.23Å; Y627-K631 HydrophobicContact CE1-CG 3.95Å; Y627-K631 HydrophobicContact CE2-CD 4.3Å; Y627-K631 VanDerWaalsContact CE2-CE 3.48Å; Y627-K631 HydrophobicContact CE2-CG 3.83Å; Y627-K631 HydrophobicContact CG-CG 4.48Å; Y627-K631 WeakPolarHBondContact O-CB 3.37Å; Y627-K631 VanDerWaalsContact O-CG 3.32Å; Y627-K631 WeakPolarHBondContact O-CG 3.39Å; Y627-K631 PolarHBondContact O-N 3.36Å; Y627-K631 WeakPolarHBondContact OH-CE 3.35Å; L628-K631 PolarHBondContact O-N 3.26Å; K631-S633 VanDerWaalsContact C-N 3.26Å; K631-S633 PolarHBondContact O-N 3.15Å; K631-V634 PolarHBondContact O-N 3.33Å; K631-Y635 HydrophobicContact CD-CE2 4.2Å; K631-Y635 VanDerWaalsContact O-CD2 3.27Å; K631-Y635 WeakPolarHBondContact O-CD2 3.39Å; K631-Y635 PolarHBondContact O-N 3.41Å
632V71.1Confident70.6Confident58 Ų5871.1 Ų71.135%0.35237%0.374SS..Hα-helixtrans-58-43.5174.8169.10000109.7L628 S629 V634 Y635 F636 F761L628-V632 HydrophobicContact CD1-CG2 4.24Å; L628-V632 HydrophobicContact CG-CG2 4.35Å; L628-V632 WeakPolarHBondContact O-CB 3.36Å; L628-V632 VanDerWaalsContact O-CG2 3.24Å; L628-V632 WeakPolarHBondContact O-CG2 3.03Å; L628-V632 PolarHBondContact O-N 3.07Å; S629-V632 PolarHBondContact O-N 3.16Å; V632-V634 VanDerWaalsContact C-N 3.28Å; V632-V634 PolarHBondContact O-N 3.4Å; V632-Y635 PolarHBondContact O-N 3.18Å; V632-F636 HydrophobicContact CG1-CD2 4.29Å; V632-F636 WeakPolarHBondContact O-CB 3.25Å; V632-F636 PolarHBondContact O-N 2.89Å; V632-F761 HydrophobicContact CG1-CE1 3.84Å; V632-F761 HydrophobicContact CG1-CZ 3.85Å
633S69.7Low72.6Confident3 Ų370.7 Ų70.72%0.02137%0.367CS..Hα-helixtrans-62.5-29.3179.183.30000114.8S629 N630 K631 P764S629-S633 WeakPolarHBondContact O-CB 3.38Å; S629-S633 PolarHBondContact O-N 3.44Å; N630-S633 PolarHBondContact O-N 3.01Å; N630-S633 PolarHBondContact O-OG 3.17Å; K631-S633 VanDerWaalsContact C-N 3.26Å; K631-S633 PolarHBondContact O-N 3.15Å; S633-P764 WeakPolarHBondContact OG-CB 3.44Å
634V73.2Confident74.3Confident50 Ų5068 Ų6830%0.30335%0.345SS..Hα-helixtrans-77.6-37176.7171.30000111.7N630 K631 V632 A768N630-V634 PolarHBondContact O-N 2.9Å; K631-V634 PolarHBondContact O-N 3.33Å; V632-V634 VanDerWaalsContact C-N 3.28Å; V632-V634 PolarHBondContact O-N 3.4Å; V634-A768 HydrophobicContact CG2-CB 4.15Å
635Y79.4Confident75.8Confident135 Ų13564.1 Ų64.153%0.52933%0.329SS..Hα-helixtrans-94.5-12.9-174.3-66.6-59.9000115K631 V632 I637 F638K631-Y635 HydrophobicContact CD-CE2 4.2Å; K631-Y635 VanDerWaalsContact O-CD2 3.27Å; K631-Y635 WeakPolarHBondContact O-CD2 3.39Å; K631-Y635 PolarHBondContact O-N 3.41Å; V632-Y635 PolarHBondContact O-N 3.18Å; Y635-I637 PolarHBondContact O-N 3.33Å; Y635-F638 HydrophobicContact CD1-CD2 4.09Å; Y635-F638 HydrophobicContact CD1-CE2 4.06Å; Y635-F638 PolarHBondContact O-N 3.15Å
636F82.8Confident77.3Confident27 Ų2764.2 Ų64.212%0.11833%0.329CS..Hα-helixtrans-56.5-28.7-177.1-155.3-93.2000113.5V632 F638 V639 V640 V753 L756 Q757 F761V632-F636 HydrophobicContact CG1-CD2 4.29Å; V632-F636 WeakPolarHBondContact O-CB 3.25Å; V632-F636 PolarHBondContact O-N 2.89Å; F636-F638 VanDerWaalsContact C-N 3.26Å; F636-F638 PolarHBondContact O-N 3.4Å; F636-V639 WeakPolarHBondContact O-CA 3.46Å; F636-V639 WeakPolarHBondContact O-CB 3.38Å; F636-V639 PolarHBondContact O-N 3.14Å; F636-V640 HydrophobicContact CD1-CG2 3.76Å; F636-V640 HydrophobicContact CE1-CG2 3.86Å; F636-V640 WeakPolarHBondContact O-CG2 3.31Å; F636-V640 PolarHBondContact O-N 3.13Å; F636-V640 VanDerWaalsContact O-N 3.09Å; F636-V753 HydrophobicContact CE1-CG1 4.07Å; F636-V753 HydrophobicContact CZ-CG1 4.26Å; F636-L756 HydrophobicContact CE1-CB 4.38Å; F636-L756 HydrophobicContact CZ-CB 4.02Å; F636-Q757 HydrophobicContact CD1-CB 3.92Å; F636-Q757 HydrophobicContact CE1-CB 3.89Å; F636-F761 HydrophobicContact CB-CB 4.23Å; F636-F761 HydrophobicContact CB-CD2 4.07Å; F636-F761 HydrophobicContact CB-CG 4.19Å; F636-F761 AromaticContact CD1-CD2 3.7Å; F636-F761 HydrophobicContact CD1-CD2 3.7Å; F636-F761 HydrophobicContact CD1-CE2 4.34Å; F636-F761 HydrophobicContact CD1-CG 4.49Å; F636-F761 AromaticContact CD2-CD2 3.56Å; F636-F761 HydrophobicContact CD2-CD2 3.56Å; F636-F761 AromaticContact CD2-CE2 3.48Å; F636-F761 HydrophobicContact CD2-CE2 3.48Å; F636-F761 VanDerWaalsContact CD2-CE2 3.48Å; F636-F761 HydrophobicContact CD2-CG 4.38Å; F636-F761 HydrophobicContact CD2-CZ 4.25Å; F636-F761 AromaticContact CE1-CD2 3.94Å; F636-F761 HydrophobicContact CE1-CD2 3.94Å; F636-F761 HydrophobicContact CE1-CE2 4.31Å; F636-F761 AromaticContact CE2-CD2 3.82Å; F636-F761 HydrophobicContact CE2-CD2 3.82Å; F636-F761 AromaticContact CE2-CE2 3.45Å; F636-F761 HydrophobicContact CE2-CE2 3.45Å; F636-F761 VanDerWaalsContact CE2-CE2 3.45Å; F636-F761 HydrophobicContact CE2-CZ 4.38Å; F636-F761 HydrophobicContact CG-CB 4.44Å; F636-F761 AromaticContact CG-CD2 3.48Å; F636-F761 HydrophobicContact CG-CD2 3.48Å; F636-F761 VanDerWaalsContact CG-CD2 3.48Å; F636-F761 AromaticContact CG-CE2 3.95Å; F636-F761 HydrophobicContact CG-CE2 3.95Å; F636-F761 HydrophobicContact CG-CG 4.11Å; F636-F761 HydrophobicContact CZ-CD2 4Å; F636-F761 AromaticContact CZ-CE2 3.88Å; F636-F761 HydrophobicContact CZ-CE2 3.88Å
637I82.5Confident78.2Confident13 Ų1357.8 Ų57.87%0.06730%0.3CS..Hα-helixtrans-60-32.5177.5-161.6165.3000113.5Y635 S641 Y678 W686 W765Y635-I637 PolarHBondContact O-N 3.33Å; I637-S641 PolarHBondContact O-N 3.21Å; I637-S641 VanDerWaalsContact O-N 3.09Å; I637-Y678 HydrophobicContact CD1-CE1 4.49Å; I637-Y678 WeakPolarHBondContact CD1-OH 3.35Å; I637-W686 HydrophobicContact CD1-CZ2 4.23Å; I637-W686 HydrophobicContact CG1-CZ2 3.87Å; I637-W765 HydrophobicContact CD1-CD2 4.26Å; I637-W765 HydrophobicContact CD1-CH2 4.09Å; I637-W765 HydrophobicContact CD1-CZ2 3.49Å; I637-W765 VanDerWaalsContact CD1-CZ2 3.49Å
638F82.4Confident79.2Confident122 Ų12251.5 Ų51.554%0.53528%0.275SS..Hα-helixtrans-70.3-37.5173.9-64.6-73000111.2Y635 F636 V640 S641 V642Y635-F638 HydrophobicContact CD1-CD2 4.09Å; Y635-F638 HydrophobicContact CD1-CE2 4.06Å; Y635-F638 PolarHBondContact O-N 3.15Å; F636-F638 VanDerWaalsContact C-N 3.26Å; F636-F638 PolarHBondContact O-N 3.4Å; F638-V640 PolarHBondContact O-N 2.57Å; F638-S641 PolarHBondContact O-N 3.03Å; F638-V642 WeakPolarHBondContact O-CB 3.33Å; F638-V642 VanDerWaalsContact O-CG2 3.28Å; F638-V642 WeakPolarHBondContact O-CG2 3.34Å; F638-V642 PolarHBondContact O-N 3.03Å
639V82.9Confident80Confident70 Ų7047.5 Ų47.542%0.42426%0.255SS..Hα-helixtrans-60.3-47175.5-175.90000110.4F636 S641 V642 V643F636-V639 WeakPolarHBondContact O-CA 3.46Å; F636-V639 WeakPolarHBondContact O-CB 3.38Å; F636-V639 PolarHBondContact O-N 3.14Å; V639-S641 VanDerWaalsContact C-N 3.34Å; V639-S641 PolarHBondContact O-N 2.85Å; V639-V642 PolarHBondContact O-N 3.31Å; V639-V643 HydrophobicContact CG1-CG2 4.44Å; V639-V643 WeakPolarHBondContact O-CG2 3.39Å; V639-V643 PolarHBondContact O-N 2.93Å
640V86.3Confident80.8Confident0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-63.8-40.2177.3-163.90000111.5F636 F638 V642 V643 L644 W686 V753 T754 Q757F636-V640 HydrophobicContact CD1-CG2 3.76Å; F636-V640 HydrophobicContact CE1-CG2 3.86Å; F636-V640 WeakPolarHBondContact O-CG2 3.31Å; F636-V640 PolarHBondContact O-N 3.13Å; F636-V640 VanDerWaalsContact O-N 3.09Å; F638-V640 PolarHBondContact O-N 2.57Å; V640-V642 VanDerWaalsContact C-N 3.34Å; V640-V642 PolarHBondContact O-N 3.1Å; V640-V643 PolarHBondContact O-N 3.24Å; V640-L644 WeakPolarHBondContact O-CB 3.42Å; V640-L644 PolarHBondContact O-N 3.03Å; V640-W686 HydrophobicContact CB-CH2 4.04Å; V640-W686 HydrophobicContact CB-CZ3 3.97Å; V640-W686 HydrophobicContact CG1-CE3 3.77Å; V640-W686 HydrophobicContact CG1-CH2 3.88Å; V640-W686 HydrophobicContact CG1-CZ3 3.29Å; V640-V753 HydrophobicContact CG1-CG1 4.47Å; V640-V753 HydrophobicContact CG2-CG1 4Å; V640-T754 HydrophobicContact CG1-CG2 4.07Å; V640-Q757 HydrophobicContact CG2-CB 3.99Å; V640-Q757 HydrophobicContact CG2-CG 4.12Å
641S85.2Confident81.1Confident22 Ų2244.7 Ų44.715%0.15423%0.234CC..Hα-helixtrans-67.7-30.9178.1-167.20000113.6I637 F638 V639 L645I637-S641 PolarHBondContact O-N 3.21Å; I637-S641 VanDerWaalsContact O-N 3.09Å; F638-S641 PolarHBondContact O-N 3.03Å; V639-S641 VanDerWaalsContact C-N 3.34Å; V639-S641 PolarHBondContact O-N 2.85Å; S641-L645 PolarHBondContact O-N 2.87Å
642V84.9Confident81.4Confident87 Ų8743.6 Ų43.653%0.52724%0.241SC..Hα-helixtrans-75.1-46175168.60000110.5F638 V639 V640 L644 L645 V646F638-V642 WeakPolarHBondContact O-CB 3.33Å; F638-V642 VanDerWaalsContact O-CG2 3.28Å; F638-V642 WeakPolarHBondContact O-CG2 3.34Å; F638-V642 PolarHBondContact O-N 3.03Å; V639-V642 PolarHBondContact O-N 3.31Å; V640-V642 VanDerWaalsContact C-N 3.34Å; V640-V642 PolarHBondContact O-N 3.1Å; V642-L644 VanDerWaalsContact C-N 3.27Å; V642-L644 PolarHBondContact O-N 2.79Å; V642-L645 PolarHBondContact O-N 2.97Å; V642-L645 VanDerWaalsContact O-N 3.11Å; V642-V646 HydrophobicContact CG1-CG2 4.37Å; V642-V646 WeakPolarHBondContact O-CG2 3.46Å; V642-V646 PolarHBondContact O-N 3.42Å
643V86.1Confident81.6Confident36 Ų3642.2 Ų42.222%0.21823%0.233CC..Hα-helixtrans-60.8-38.3176.6175.90000110.9V639 V640 V646 V647 L750V639-V643 HydrophobicContact CG1-CG2 4.44Å; V639-V643 WeakPolarHBondContact O-CG2 3.39Å; V639-V643 PolarHBondContact O-N 2.93Å; V640-V643 PolarHBondContact O-N 3.24Å; V643-V646 PolarHBondContact O-N 3.45Å; V643-V647 HydrophobicContact CG1-CG2 4.41Å; V643-V647 WeakPolarHBondContact O-CB 3.36Å; V643-V647 VanDerWaalsContact O-CG2 3.31Å; V643-V647 WeakPolarHBondContact O-CG2 3.36Å; V643-V647 PolarHBondContact O-N 2.91Å; V643-L750 HydrophobicContact CG1-CD1 3.98Å
644L88.8Confident82.2Confident0 Ų043.7 Ų43.70%024%0.24CC..Hα-helixtrans-62-43.5173.4-177.264.2000112.5V640 V642 S648 F660 W664 F685 L689V640-L644 WeakPolarHBondContact O-CB 3.42Å; V640-L644 PolarHBondContact O-N 3.03Å; V642-L644 VanDerWaalsContact C-N 3.27Å; V642-L644 PolarHBondContact O-N 2.79Å; L644-S648 WeakPolarHBondContact O-CB 3.38Å; L644-S648 PolarHBondContact O-N 3.46Å; L644-S648 PolarHBondContact O-OG 3.24Å; L644-F660 HydrophobicContact CD1-CB 4.2Å; L644-F660 HydrophobicContact CD1-CD1 3.77Å; L644-F660 HydrophobicContact CD1-CG 4.37Å; L644-W664 HydrophobicContact CD2-CB 4.06Å; L644-W664 HydrophobicContact CG-CB 4.29Å; L644-F685 HydrophobicContact CD2-CE1 4.5Å; L644-F685 HydrophobicContact CD2-CZ 4.22Å; L644-L689 HydrophobicContact CD1-CD1 4.16Å; L644-L689 HydrophobicContact CD1-CD2 4.4Å
645L88Confident82.8Confident31 Ų3145.8 Ų45.816%0.16225%0.246CC..Hα-helixtrans-63.4-46.1176.9179.861.4000111.6S641 V642 S648 T649 F661 W664S641-L645 PolarHBondContact O-N 2.87Å; V642-L645 PolarHBondContact O-N 2.97Å; V642-L645 VanDerWaalsContact O-N 3.11Å; L645-S648 WeakPolarHBondContact CA-OG 3.17Å; L645-S648 PolarHBondContact O-N 3.45Å; L645-S648 VanDerWaalsContact O-N 3.12Å; L645-S648 PolarHBondContact O-OG 2.99Å; L645-T649 HydrophobicContact CD1-CG2 4.02Å; L645-T649 PolarHBondContact O-N 3.1Å; L645-T649 VanDerWaalsContact O-N 3.1Å; L645-T649 PolarHBondContact O-OG1 3.04Å; L645-F661 HydrophobicContact CD1-CE2 4.38Å; L645-W664 HydrophobicContact CD1-CD2 4Å; L645-W664 HydrophobicContact CD1-CE3 4.27Å; L645-W664 HydrophobicContact CD1-CG 4.48Å; L645-W664 HydrophobicContact CD1-CH2 4.32Å; L645-W664 HydrophobicContact CD1-CZ2 4.04Å; L645-W664 HydrophobicContact CD1-CZ3 4.42Å; L645-W664 HydrophobicContact CD2-CZ2 3.99Å
646V85.1Confident83.1Confident73 Ų7341.2 Ų41.244%0.44223%0.228SC..Hα-helixtrans-58.2-51.5177.6168.60000110.8V642 V643 S648 T649 C650V642-V646 HydrophobicContact CG1-CG2 4.37Å; V642-V646 WeakPolarHBondContact O-CG2 3.46Å; V642-V646 PolarHBondContact O-N 3.42Å; V643-V646 PolarHBondContact O-N 3.45Å; V646-S648 PolarHBondContact O-N 2.95Å; V646-T649 PolarHBondContact O-N 3.41Å; V646-T649 VanDerWaalsContact O-N 3.15Å; V646-C650 WeakPolarHBondContact O-CB 3.49Å; V646-C650 PolarHBondContact O-N 2.92Å
647V84.2Confident83.3Confident10 Ų1040 Ų406%0.06122%0.222CC..Hα-helixtrans-60.3-31.2177173.20000111.8V643 N657 F660 A746 L750V643-V647 HydrophobicContact CG1-CG2 4.41Å; V643-V647 WeakPolarHBondContact O-CB 3.36Å; V643-V647 VanDerWaalsContact O-CG2 3.31Å; V643-V647 WeakPolarHBondContact O-CG2 3.36Å; V643-V647 PolarHBondContact O-N 2.91Å; V647-N657 PolarHBondContact O-OD1 3.45Å; V647-F660 HydrophobicContact CG1-CD2 3.91Å; V647-F660 HydrophobicContact CG1-CE2 3.97Å; V647-F660 HydrophobicContact CG1-CG 4.45Å; V647-A746 HydrophobicContact CG2-CB 4.49Å; V647-L750 HydrophobicContact CG1-CD2 4.41Å
648S85.3Confident83.5Confident1 Ų140.5 Ų40.51%0.00723%0.225CC..Hα-helixtrans-82-12.5178.5720000116.2L644 L645 V646L644-S648 WeakPolarHBondContact O-CB 3.38Å; L644-S648 PolarHBondContact O-N 3.46Å; L644-S648 PolarHBondContact O-OG 3.24Å; L645-S648 WeakPolarHBondContact CA-OG 3.17Å; L645-S648 PolarHBondContact O-N 3.45Å; L645-S648 VanDerWaalsContact O-N 3.12Å; L645-S648 PolarHBondContact O-OG 2.99Å; V646-S648 PolarHBondContact O-N 2.95Å
649T82.5Confident83.8Confident1 Ų138.6 Ų38.61%0.00622%0.22CC..Hα-helixtrans-128.9-18.4-170.5520000115.8L645 V646 F661 P929L645-T649 HydrophobicContact CD1-CG2 4.02Å; L645-T649 PolarHBondContact O-N 3.1Å; L645-T649 VanDerWaalsContact O-N 3.1Å; L645-T649 PolarHBondContact O-OG1 3.04Å; V646-T649 PolarHBondContact O-N 3.41Å; V646-T649 VanDerWaalsContact O-N 3.15Å; T649-F661 HydrophobicContact CG2-CD2 4.16Å; T649-F661 HydrophobicContact CG2-CE2 4.36Å; T649-P929 WeakPolarHBondContact O-CD 3.3Å
650C79.1Confident84.2Confident48 Ų4835.4 Ų35.432%0.32420%0.2SC..SBendtrans-88.3-3.4178.3-68.60000114.4V646V646-C650 WeakPolarHBondContact O-CB 3.49Å; V646-C650 PolarHBondContact O-N 2.92Å
651F75.7Confident84.3Confident68 Ų6835.5 Ų35.530%0.29820%0.201SC..SBendtrans-116.9158.9177.1-62.9-68.9000110.2N657 A746F651-N657 WeakPolarHBondContact CB-ND2 3.32Å; F651-A746 HydrophobicContact CE2-CB 3.62Å; F651-A746 HydrophobicContact CZ-CB 3.57Å
652A73.7Confident84.5Confident61 Ų6136.1 Ų36.150%0.50421%0.207SC..  trans-52147.6175.800000111.8N654 N657A652-N654 PolarHBondContact O-N 2.81Å; A652-N657 PolarHBondContact O-ND2 3.44Å
653P76.6Confident84.7Confident28 Ų2834.1 Ų34.118%0.18219%0.193CC..  trans-73.266.1-172.830.9-36.3000113.6Q888 L889P653-Q888 HydrophobicContact CG-CB 3.99Å; P653-L889 WeakPolarHBondContact O-CD2 3.47Å
654N82.5Confident84.9Confident34 Ų3432.8 Ų32.818%0.18218%0.184CC..  trans-77.8159.7172.7-59.3-14.3000111A652 Y656 N657 I658A652-N654 PolarHBondContact O-N 2.81Å; N654-Y656 VanDerWaalsContact C-N 3.27Å; N654-Y656 HydrophobicContact CB-CD1 4.33Å; N654-Y656 HydrophobicContact CB-CE1 4.17Å; N654-Y656 PolarHBondContact O-N 2.87Å; N654-Y656 VanDerWaalsContact O-N 3.14Å; N654-N657 PolarHBondContact O-N 2.87Å; N654-I658 PolarHBondContact O-N 2.97Å
655F85Confident84.8Confident95 Ų9533 Ų3342%0.41719%0.187SC..Hα-helixtrans-52.7-38.9179.4-88.9-75.9000114.2L659 W722 A725F655-L659 WeakPolarHBondContact O-CB 3.39Å; F655-L659 PolarHBondContact O-N 3.27Å; F655-W722 HydrophobicContact CE2-CZ3 4.05Å; F655-W722 HydrophobicContact CZ-CZ3 4.33Å; F655-A725 HydrophobicContact CD2-CB 4.39Å; F655-A725 WeakPolarHBondContact CD2-O 3.23Å; F655-A725 HydrophobicContact CE2-CB 4.34Å; F655-A725 PolarHBondContact N-O 3.23Å
656Y85.9Confident84.7Confident38 Ų3834.6 Ų34.615%0.14920%0.195CC..Hα-helixtrans-70.8-32.117764.8-107.4000113.4N654 L659 F660 Y692 I726N654-Y656 VanDerWaalsContact C-N 3.27Å; N654-Y656 HydrophobicContact CB-CD1 4.33Å; N654-Y656 HydrophobicContact CB-CE1 4.17Å; N654-Y656 PolarHBondContact O-N 2.87Å; N654-Y656 VanDerWaalsContact O-N 3.14Å; Y656-L659 PolarHBondContact O-N 2.64Å; Y656-F660 HydrophobicContact CD2-CD2 4.33Å; Y656-F660 HydrophobicContact CD2-CE2 4.07Å; Y656-F660 WeakPolarHBondContact O-CD2 3.44Å; Y656-F660 PolarHBondContact O-N 3.29Å; Y656-Y692 WeakPolarHBondContact CA-OH 3.46Å; Y656-Y692 WeakPolarHBondContact CB-OH 3.46Å; Y656-I726 WeakPolarHBondContact CD1-O 3.24Å
657N86.5Confident84.8Confident1 Ų131.5 Ų31.51%0.00518%0.176CC..Hα-helixtrans-72.8-42177-70.5-28.4000111.5V647 F651 A652 N654 L659 F660 F661V647-N657 PolarHBondContact O-OD1 3.45Å; F651-N657 WeakPolarHBondContact CB-ND2 3.32Å; A652-N657 PolarHBondContact O-ND2 3.44Å; N654-N657 PolarHBondContact O-N 2.87Å; N657-L659 VanDerWaalsContact C-N 3.26Å; N657-L659 PolarHBondContact O-N 3.05Å; N657-F660 PolarHBondContact O-N 2.93Å; N657-F661 PolarHBondContact O-N 3.43Å
658I87.6Confident84.9Confident24 Ų2432.2 Ų32.212%0.12318%0.179CC..Hα-helixtrans-59.6-39.4171.5-63.3171.9000110.2N654 F661 A662 M885 L889N654-I658 PolarHBondContact O-N 2.97Å; I658-F661 PolarHBondContact O-N 2.92Å; I658-A662 WeakPolarHBondContact O-CB 3.38Å; I658-A662 PolarHBondContact O-N 3.16Å; I658-M885 HydrophobicContact CG1-CE 4.35Å; I658-L889 HydrophobicContact CD1-CD1 4.07Å; I658-L889 HydrophobicContact CD1-CD2 3.97Å; I658-L889 HydrophobicContact CD1-CG 4.09Å
659L88.8Confident84.8Confident82 Ų8235.9 Ų35.943%0.42920%0.198SC..Hα-helixtrans-67.5-38.7175.4-169.862000112.6F655 Y656 N657 F661 A662 L663 Y692F655-L659 WeakPolarHBondContact O-CB 3.39Å; F655-L659 PolarHBondContact O-N 3.27Å; Y656-L659 PolarHBondContact O-N 2.64Å; N657-L659 VanDerWaalsContact C-N 3.26Å; N657-L659 PolarHBondContact O-N 3.05Å; L659-F661 VanDerWaalsContact C-N 3.34Å; L659-F661 PolarHBondContact O-N 3.11Å; L659-A662 PolarHBondContact O-N 3.39Å; L659-L663 WeakPolarHBondContact O-CG 3.33Å; L659-L663 PolarHBondContact O-N 3.31Å; L659-Y692 HydrophobicContact CD2-CE2 4.15Å
660F90.3Very high84.9Confident4 Ų439.7 Ų39.72%0.01821%0.213CC..Hα-helixtrans-61.2-40.7171.1-73.6-56.4000112L644 V647 Y656 N657 L663 W664 L689 Y692 T693 L750L644-F660 HydrophobicContact CD1-CB 4.2Å; L644-F660 HydrophobicContact CD1-CD1 3.77Å; L644-F660 HydrophobicContact CD1-CG 4.37Å; V647-F660 HydrophobicContact CG1-CD2 3.91Å; V647-F660 HydrophobicContact CG1-CE2 3.97Å; V647-F660 HydrophobicContact CG1-CG 4.45Å; Y656-F660 HydrophobicContact CD2-CD2 4.33Å; Y656-F660 HydrophobicContact CD2-CE2 4.07Å; Y656-F660 WeakPolarHBondContact O-CD2 3.44Å; Y656-F660 PolarHBondContact O-N 3.29Å; N657-F660 PolarHBondContact O-N 2.93Å; F660-L663 PolarHBondContact O-N 3.31Å; F660-W664 PolarHBondContact O-N 3.47Å; F660-L689 HydrophobicContact CD1-CD1 4.12Å; F660-L689 HydrophobicContact CE1-CD1 3.82Å; F660-Y692 HydrophobicContact CD1-CD1 4.37Å; F660-Y692 HydrophobicContact CD1-CE1 4.11Å; F660-Y692 AromaticContact CE1-CD1 3.56Å; F660-Y692 HydrophobicContact CE1-CD1 3.56Å; F660-Y692 AromaticContact CE1-CE1 3.54Å; F660-Y692 HydrophobicContact CE1-CE1 3.54Å; F660-Y692 HydrophobicContact CE2-CE1 4.08Å; F660-Y692 AromaticContact CZ-CD1 3.8Å; F660-Y692 HydrophobicContact CZ-CD1 3.8Å; F660-Y692 AromaticContact CZ-CE1 3.52Å; F660-Y692 HydrophobicContact CZ-CE1 3.52Å; F660-T693 HydrophobicContact CE1-CG2 4.45Å; F660-T693 HydrophobicContact CZ-CG2 4.39Å; F660-L750 HydrophobicContact CD1-CD2 4.47Å; F660-L750 HydrophobicContact CE1-CD2 3.84Å; F660-L750 HydrophobicContact CZ-CD2 4.16Å
661F89.5Confident85.2Confident1 Ų138.5 Ų38.50%0.00420%0.203CC..Hα-helixtrans-65.7-41.9175.6-171.6-98.7000112L645 T649 N657 I658 L659 L663 W664 A665 A881 L882 M885 L933L645-F661 HydrophobicContact CD1-CE2 4.38Å; T649-F661 HydrophobicContact CG2-CD2 4.16Å; T649-F661 HydrophobicContact CG2-CE2 4.36Å; N657-F661 PolarHBondContact O-N 3.43Å; I658-F661 PolarHBondContact O-N 2.92Å; L659-F661 VanDerWaalsContact C-N 3.34Å; L659-F661 PolarHBondContact O-N 3.11Å; F661-L663 VanDerWaalsContact C-N 3.34Å; F661-L663 PolarHBondContact O-N 2.97Å; F661-W664 HydrophobicContact CD2-CE3 4.39Å; F661-W664 HydrophobicContact CE2-CE3 4.02Å; F661-W664 HydrophobicContact CE2-CZ3 4.07Å; F661-W664 HydrophobicContact CZ-CE3 4.35Å; F661-W664 HydrophobicContact CZ-CZ3 4.2Å; F661-W664 WeakPolarHBondContact O-CB 3.47Å; F661-W664 PolarHBondContact O-N 3.33Å; F661-W664 VanDerWaalsContact O-N 3.12Å; F661-A665 PolarHBondContact O-N 3.23Å; F661-A881 HydrophobicContact CE1-CB 4.2Å; F661-A881 HydrophobicContact CZ-CB 4.17Å; F661-L882 HydrophobicContact CD1-CD2 4.03Å; F661-L882 HydrophobicContact CE1-CD2 4.29Å; F661-M885 HydrophobicContact CB-CE 4.22Å; F661-M885 HydrophobicContact CB-SD 4.02Å; F661-M885 HydrophobicContact CD1-SD 3.46Å; F661-M885 WeakPolarHBondContact CD1-SD 3.41Å; F661-M885 HydrophobicContact CD2-SD 4Å; F661-M885 HydrophobicContact CE1-SD 3.84Å; F661-M885 HydrophobicContact CE2-SD 4.33Å; F661-M885 HydrophobicContact CG-CE 4.3Å; F661-M885 HydrophobicContact CG-SD 3.55Å; F661-M885 VanDerWaalsContact CG-SD 3.55Å; F661-M885 HydrophobicContact CZ-SD 4.25Å; F661-L933 HydrophobicContact CE2-CD1 4.38Å; F661-L933 HydrophobicContact CZ-CD1 4.34Å
662A88.5Confident85.7Confident36 Ų3636.6 Ų36.630%0.29820%0.195SC..Hα-helixtrans-61.2-41175.100000112.1I658 L659 W664 A665 L666I658-A662 WeakPolarHBondContact O-CB 3.38Å; I658-A662 PolarHBondContact O-N 3.16Å; L659-A662 PolarHBondContact O-N 3.39Å; A662-W664 VanDerWaalsContact C-N 3.31Å; A662-W664 PolarHBondContact O-N 2.99Å; A662-A665 PolarHBondContact O-N 3.29Å; A662-L666 WeakPolarHBondContact O-CB 3.16Å; A662-L666 PolarHBondContact O-N 3.31Å
663L88.9Confident86.2Confident44 Ų4440.9 Ų40.923%0.2320%0.202CC..Hα-helixtrans-64.2-33.5173.7-71.4171000112.5L659 F660 F661 N667 F685L659-L663 WeakPolarHBondContact O-CG 3.33Å; L659-L663 PolarHBondContact O-N 3.31Å; F660-L663 PolarHBondContact O-N 3.31Å; F661-L663 VanDerWaalsContact C-N 3.34Å; F661-L663 PolarHBondContact O-N 2.97Å; L663-N667 WeakPolarHBondContact O-CB 3.29Å; L663-N667 PolarHBondContact O-N 3.01Å; L663-F685 HydrophobicContact CB-CE2 4.27Å; L663-F685 HydrophobicContact CB-CZ 4.29Å; L663-F685 HydrophobicContact CD2-CE2 4.11Å
664W90.4Very high86.5Confident8 Ų841.4 Ų41.43%0.0321%0.207CC..Hα-helixtrans-70.7-45.3173.3178.689.3000112.6L644 L645 F660 F661 A662 N667 L668 F878 I937 I940L644-W664 HydrophobicContact CD2-CB 4.06Å; L644-W664 HydrophobicContact CG-CB 4.29Å; L645-W664 HydrophobicContact CD1-CD2 4Å; L645-W664 HydrophobicContact CD1-CE3 4.27Å; L645-W664 HydrophobicContact CD1-CG 4.48Å; L645-W664 HydrophobicContact CD1-CH2 4.32Å; L645-W664 HydrophobicContact CD1-CZ2 4.04Å; L645-W664 HydrophobicContact CD1-CZ3 4.42Å; L645-W664 HydrophobicContact CD2-CZ2 3.99Å; F660-W664 PolarHBondContact O-N 3.47Å; F661-W664 HydrophobicContact CD2-CE3 4.39Å; F661-W664 HydrophobicContact CE2-CE3 4.02Å; F661-W664 HydrophobicContact CE2-CZ3 4.07Å; F661-W664 HydrophobicContact CZ-CE3 4.35Å; F661-W664 HydrophobicContact CZ-CZ3 4.2Å; F661-W664 WeakPolarHBondContact O-CB 3.47Å; F661-W664 PolarHBondContact O-N 3.33Å; F661-W664 VanDerWaalsContact O-N 3.12Å; A662-W664 VanDerWaalsContact C-N 3.31Å; A662-W664 PolarHBondContact O-N 2.99Å; W664-N667 WeakPolarHBondContact O-CB 3.43Å; W664-N667 PolarHBondContact O-N 3.45Å; W664-L668 HydrophobicContact CD2-CD1 4.31Å; W664-L668 HydrophobicContact CE3-CD1 4.4Å; W664-L668 HydrophobicContact CH2-CD1 3.62Å; W664-L668 HydrophobicContact CZ2-CD1 3.49Å; W664-L668 VanDerWaalsContact CZ2-CD1 3.49Å; W664-L668 HydrophobicContact CZ3-CD1 4.08Å; W664-L668 PolarHBondContact O-N 3.37Å; W664-F878 HydrophobicContact CZ3-CE1 4.43Å; W664-I937 HydrophobicContact CH2-CG2 4.43Å; W664-I940 HydrophobicContact CH2-CG2 4.42Å
665A86.5Confident86.4Confident6 Ų643.5 Ų43.55%0.0521%0.214CC..Hα-helixtrans-63-43.9177.100000111.8F661 A662 N667 L668 I669 F878F661-A665 PolarHBondContact O-N 3.23Å; A662-A665 PolarHBondContact O-N 3.29Å; A665-N667 VanDerWaalsContact C-N 3.33Å; A665-N667 PolarHBondContact O-N 3.06Å; A665-L668 PolarHBondContact O-N 2.77Å; A665-L668 VanDerWaalsContact O-N 3.15Å; A665-I669 WeakPolarHBondContact O-CG1 3.41Å; A665-I669 PolarHBondContact O-N 2.96Å; A665-F878 HydrophobicContact CB-CD1 3.95Å; A665-F878 HydrophobicContact CB-CE1 3.93Å
666L86.2Confident86.3Confident64 Ų6449.1 Ų49.134%0.33523%0.233SC..Hα-helixtrans-60.5-38.8177178.7127.1000112.4A662 I669 Y670 F685A662-L666 WeakPolarHBondContact O-CB 3.16Å; A662-L666 PolarHBondContact O-N 3.31Å; L666-I669 PolarHBondContact O-N 3.34Å; L666-Y670 HydrophobicContact CD1-CE2 4.48Å; L666-Y670 HydrophobicContact CD2-CD2 4.16Å; L666-Y670 HydrophobicContact CD2-CE2 3.39Å; L666-Y670 HydrophobicContact CG-CD2 4.36Å; L666-Y670 HydrophobicContact CG-CE1 4.38Å; L666-Y670 HydrophobicContact CG-CE2 3.71Å; L666-Y670 WeakPolarHBondContact O-CD2 3.49Å; L666-Y670 VanDerWaalsContact O-CG 3.29Å; L666-Y670 PolarHBondContact O-N 3.46Å; L666-F685 HydrophobicContact CD2-CE2 4.44Å
667N86.2Confident86.1Confident7 Ų750.8 Ų50.84%0.03724%0.244CC..Hα-helixtrans-59.6-46.5172.3177.40.3000111.8L663 W664 A665 Y670 L671 Y678 F685L663-N667 WeakPolarHBondContact O-CB 3.29Å; L663-N667 PolarHBondContact O-N 3.01Å; W664-N667 WeakPolarHBondContact O-CB 3.43Å; W664-N667 PolarHBondContact O-N 3.45Å; A665-N667 VanDerWaalsContact C-N 3.33Å; A665-N667 PolarHBondContact O-N 3.06Å; N667-Y670 PolarHBondContact O-N 2.94Å; N667-L671 PolarHBondContact O-N 3.34Å; N667-Y678 WeakPolarHBondContact OD1-CE2 3.36Å; N667-Y678 PolarHBondContact OD1-OH 2.87Å; N667-F685 HydrophobicContact CB-CZ 4.21Å
668L86.5Confident86.1Confident25 Ų2552.3 Ų52.313%0.13125%0.25CC..Hα-helixtrans-71-35.1177.5-68.3-176.4000113.8W664 A665 L671 K672 F878 I940W664-L668 HydrophobicContact CD2-CD1 4.31Å; W664-L668 HydrophobicContact CE3-CD1 4.4Å; W664-L668 HydrophobicContact CH2-CD1 3.62Å; W664-L668 HydrophobicContact CZ2-CD1 3.49Å; W664-L668 VanDerWaalsContact CZ2-CD1 3.49Å; W664-L668 HydrophobicContact CZ3-CD1 4.08Å; W664-L668 PolarHBondContact O-N 3.37Å; A665-L668 PolarHBondContact O-N 2.77Å; A665-L668 VanDerWaalsContact O-N 3.15Å; L668-L671 HydrophobicContact CD2-CD2 4.48Å; L668-L671 WeakPolarHBondContact O-CB 3.4Å; L668-L671 PolarHBondContact O-N 2.97Å; L668-K672 PolarHBondContact O-N 3.39Å; L668-F878 HydrophobicContact CB-CZ 4.01Å; L668-F878 HydrophobicContact CD1-CZ 4.49Å; L668-I940 HydrophobicContact CD1-CG2 3.94Å
669I84.1Confident85.9Confident78 Ų7855.4 Ų55.440%0.426%0.26SS..Hα-helixtrans-63.7-43.4174.9-70.8168.9000110.4A665 L666 L671 K672 F673 F878A665-I669 WeakPolarHBondContact O-CG1 3.41Å; A665-I669 PolarHBondContact O-N 2.96Å; L666-I669 PolarHBondContact O-N 3.34Å; I669-L671 VanDerWaalsContact C-N 3.28Å; I669-L671 PolarHBondContact O-N 3.41Å; I669-K672 PolarHBondContact O-N 2.92Å; I669-F673 VanDerWaalsContact O-CB 3.3Å; I669-F673 WeakPolarHBondContact O-CB 3.48Å; I669-F673 PolarHBondContact O-N 2.96Å; I669-F878 HydrophobicContact CD1-CD2 3.88Å; I669-F878 HydrophobicContact CD1-CE2 4.08Å; I669-F878 HydrophobicContact CD1-CG 4.35Å; I669-F878 HydrophobicContact CG1-CD2 3.78Å; I669-F878 HydrophobicContact CG1-CE2 3.48Å; I669-F878 VanDerWaalsContact CG1-CE2 3.48Å; I669-F878 HydrophobicContact CG1-CZ 4.12Å
670Y85.5Confident85.6Confident81 Ų8154.7 Ų54.732%0.31827%0.272SS..Hα-helixtrans-60.3-36.7174.1-66.6-25.4000112.7L666 N667 S674 L677 L681L666-Y670 HydrophobicContact CD1-CE2 4.48Å; L666-Y670 HydrophobicContact CD2-CD2 4.16Å; L666-Y670 HydrophobicContact CD2-CE2 3.39Å; L666-Y670 HydrophobicContact CG-CD2 4.36Å; L666-Y670 HydrophobicContact CG-CE1 4.38Å; L666-Y670 HydrophobicContact CG-CE2 3.71Å; L666-Y670 WeakPolarHBondContact O-CD2 3.49Å; L666-Y670 VanDerWaalsContact O-CG 3.29Å; L666-Y670 PolarHBondContact O-N 3.46Å; N667-Y670 PolarHBondContact O-N 2.94Å; Y670-S674 CarbonylContact O-C 3.6Å; Y670-S674 PolarHBondContact O-N 3.05Å; Y670-L677 HydrophobicContact CD1-CD2 3.81Å; Y670-L677 HydrophobicContact CD2-CD2 4.47Å; Y670-L677 HydrophobicContact CE1-CD2 4.31Å; Y670-L677 HydrophobicContact CG-CD2 3.91Å; Y670-L681 HydrophobicContact CD2-CD1 4.35Å; Y670-L681 HydrophobicContact CE2-CD1 4.02Å
671L85.1Confident85.4Confident24 Ų2458.4 Ų58.413%0.12629%0.292CS..Hα-helixtrans-66-44.2174.3179.564.5000112.6N667 L668 I669 F675 Y678 I948N667-L671 PolarHBondContact O-N 3.34Å; L668-L671 HydrophobicContact CD2-CD2 4.48Å; L668-L671 WeakPolarHBondContact O-CB 3.4Å; L668-L671 PolarHBondContact O-N 2.97Å; I669-L671 VanDerWaalsContact C-N 3.28Å; I669-L671 PolarHBondContact O-N 3.41Å; L671-F675 HydrophobicContact CD1-CD2 3.86Å; L671-F675 HydrophobicContact CD1-CE2 4.5Å; L671-Y678 HydrophobicContact CD1-CD1 4.44Å; L671-I948 HydrophobicContact CD2-CD1 4.37Å; L671-I948 HydrophobicContact CD2-CG1 4.48Å
672K85Confident85.1Confident28 Ų2858.6 Ų58.612%0.12229%0.294CS..Hα-helixtrans-68.7-37178.8-99.2-77.4-176.3177.10113L668 I669 L943 S947L668-K672 PolarHBondContact O-N 3.39Å; I669-K672 PolarHBondContact O-N 2.92Å; K672-L943 WeakPolarHBondContact CE-O 3.34Å; K672-L943 PolarHBondContact NZ-O 3.44Å; K672-S947 VanDerWaalsContact CE-OG 3.22Å; K672-S947 WeakPolarHBondContact CE-OG 3.2Å
673F83.9Confident85Confident150 Ų15063 Ų6366%0.65830%0.304SS*.Hα-helixtrans-77-52.5-178.6-172.3-97.1000112.2I669I669-F673 VanDerWaalsContact O-CB 3.3Å; I669-F673 WeakPolarHBondContact O-CB 3.48Å; I669-F673 PolarHBondContact O-N 2.96Å
674S83.3Confident84.9Confident40 Ų4063.4 Ų63.428%0.2831%0.313SS..  trans-163.2112.3178.2-176.40000114Y670 R676 L677 Y678Y670-S674 CarbonylContact O-C 3.6Å; Y670-S674 PolarHBondContact O-N 3.05Å; S674-R676 PolarHBondContact O-N 2.84Å; S674-R676 VanDerWaalsContact O-N 3.09Å; S674-L677 PolarHBondContact O-N 2.97Å; S674-Y678 PolarHBondContact O-N 3.03Å
675F81.9Confident84.8Confident78 Ų7864.6 Ų64.634%0.34232%0.318SS..Hα-helixtrans-55.7-28.1175.4-174.9-105.5000114.4L671 Y678 R679L671-F675 HydrophobicContact CD1-CD2 3.86Å; L671-F675 HydrophobicContact CD1-CE2 4.5Å; F675-Y678 HydrophobicContact CD2-CD1 4.36Å; F675-Y678 HydrophobicContact CE2-CD1 4.34Å; F675-R679 PolarHBondContact O-N 3.11Å
676R81.5Confident84.8Confident212 Ų21264.4 Ų64.480%0.832%0.316SS*.Hα-helixtrans-66.9-40.3177.1-72.5-174.3-178.81732112.1S674S674-R676 PolarHBondContact O-N 2.84Å; S674-R676 VanDerWaalsContact O-N 3.09Å
677L83.2Confident84.8Confident74 Ų7465.8 Ų65.839%0.38732%0.324SS..Hα-helixtrans-70.8-42.9-179.4-177.3145.5000110.5Y670 S674 R679 G680 L681Y670-L677 HydrophobicContact CD1-CD2 3.81Å; Y670-L677 HydrophobicContact CD2-CD2 4.47Å; Y670-L677 HydrophobicContact CE1-CD2 4.31Å; Y670-L677 HydrophobicContact CG-CD2 3.91Å; S674-L677 PolarHBondContact O-N 2.97Å; L677-R679 PolarHBondContact O-N 3.41Å; L677-G680 PolarHBondContact O-N 3.31Å; L677-G680 VanDerWaalsContact O-N 3.13Å; L677-L681 HydrophobicContact CD2-CD1 3.66Å; L677-L681 HydrophobicContact CG-CD1 4.27Å; L677-L681 PolarHBondContact O-N 3.34Å
678Y85.5Confident84.8Confident32 Ų3270 Ų7013%0.12535%0.35CS..Hα-helixtrans-52.1-49175.3178-118.8000113.4I637 N667 L671 S674 F675 G680 L681 A682 W765I637-Y678 HydrophobicContact CD1-CE1 4.49Å; I637-Y678 WeakPolarHBondContact CD1-OH 3.35Å; N667-Y678 WeakPolarHBondContact OD1-CE2 3.36Å; N667-Y678 PolarHBondContact OD1-OH 2.87Å; L671-Y678 HydrophobicContact CD1-CD1 4.44Å; S674-Y678 PolarHBondContact O-N 3.03Å; F675-Y678 HydrophobicContact CD2-CD1 4.36Å; F675-Y678 HydrophobicContact CE2-CD1 4.34Å; Y678-G680 VanDerWaalsContact C-N 3.28Å; Y678-G680 PolarHBondContact O-N 3.47Å; Y678-L681 PolarHBondContact O-N 3.45Å; Y678-A682 PolarHBondContact O-N 3.23Å; Y678-W765 HydrophobicContact CE1-CH2 4.32Å; Y678-W765 HydrophobicContact CE1-CZ2 4.15Å
679R82.6Confident84.9Confident90 Ų9069 Ų6934%0.3435%0.345SS..Hα-helixtrans-63.2-30.9-179.2-170.418062.9127.33.3113.4F675 L677 W765 S770F675-R679 PolarHBondContact O-N 3.11Å; L677-R679 PolarHBondContact O-N 3.41Å; R679-W765 HydrophobicContact CG-CH2 4.39Å; R679-W765 HydrophobicContact CG-CZ3 4.44Å; R679-S770 VanDerWaalsContact NH1-CB 3.33Å
680G83.2Confident84.9Confident67 Ų6765.6 Ų65.669%0.69133%0.327SS*.Hα-helixtrans-74.1-35.8-18000000113.7L677 Y678L677-G680 PolarHBondContact O-N 3.31Å; L677-G680 VanDerWaalsContact O-N 3.13Å; Y678-G680 VanDerWaalsContact C-N 3.28Å; Y678-G680 PolarHBondContact O-N 3.47Å
681L86Confident84.9Confident81 Ų8168.3 Ų68.342%0.42434%0.341SS..Hα-helixtrans-87.9-12.8-175.2-65.5174.2000114.1Y670 L677 Y678 Y683 A684 F685Y670-L681 HydrophobicContact CD2-CD1 4.35Å; Y670-L681 HydrophobicContact CE2-CD1 4.02Å; L677-L681 HydrophobicContact CD2-CD1 3.66Å; L677-L681 HydrophobicContact CG-CD1 4.27Å; L677-L681 PolarHBondContact O-N 3.34Å; Y678-L681 PolarHBondContact O-N 3.45Å; L681-Y683 PolarHBondContact O-N 3.45Å; L681-A684 PolarHBondContact O-N 3.46Å; L681-F685 PolarHBondContact O-N 2.89Å
682A84Confident85.1Confident5 Ų569.9 Ų69.94%0.04135%0.346CS..Hα-helixtrans-57.9-41.8-170.100000114.8Y678 F685 W686 W765Y678-A682 PolarHBondContact O-N 3.23Å; A682-F685 PolarHBondContact O-N 3.29Å; A682-W686 PolarHBondContact O-N 3.18Å; A682-W686 PolarHBondContact O-NE1 3.26Å; A682-W765 HydrophobicContact CB-CH2 4.21Å; A682-W765 HydrophobicContact CB-CZ3 4.04Å
683Y85.9Confident85.2Confident130 Ų13068.6 Ų68.651%0.5134%0.34SS..Hα-helixtrans-65.3-43.6180-176.5-97.2000112.1L681 W686 L687 L758 H762L681-Y683 PolarHBondContact O-N 3.45Å; Y683-W686 PolarHBondContact O-N 3.47Å; Y683-L687 PolarHBondContact O-N 2.89Å; Y683-L758 HydrophobicContact CD2-CD2 4.24Å; Y683-L758 HydrophobicContact CE2-CD2 3.98Å; Y683-H762 AromaticContact CD2-CD2 3.74Å; Y683-H762 AromaticContact CD2-NE2 3.66Å
684A86.9Confident85.1Confident51 Ų5163.1 Ų63.142%0.42132%0.32SS..Hα-helixtrans-62.2-45.8176.600000111L681 W686 L687 T688L681-A684 PolarHBondContact O-N 3.46Å; A684-W686 PolarHBondContact O-N 3.47Å; A684-L687 PolarHBondContact O-N 3.45Å; A684-T688 PolarHBondContact O-N 3.49Å; A684-T688 PolarHBondContact O-OG1 2.95Å; A684-T688 VanDerWaalsContact O-OG1 3.1Å
685F88.1Confident85.2Confident34 Ų3465.4 Ų65.415%0.14933%0.328CS..Hα-helixtrans-54.6-47.6178-175.4-96.7000112.8L644 L663 L666 N667 L681 A682 L689L644-F685 HydrophobicContact CD2-CE1 4.5Å; L644-F685 HydrophobicContact CD2-CZ 4.22Å; L663-F685 HydrophobicContact CB-CE2 4.27Å; L663-F685 HydrophobicContact CB-CZ 4.29Å; L663-F685 HydrophobicContact CD2-CE2 4.11Å; L666-F685 HydrophobicContact CD2-CE2 4.44Å; N667-F685 HydrophobicContact CB-CZ 4.21Å; L681-F685 PolarHBondContact O-N 2.89Å; A682-F685 PolarHBondContact O-N 3.29Å; F685-L689 WeakPolarHBondContact O-CB 3.41Å; F685-L689 PolarHBondContact O-N 2.67Å
686W87Confident85.4Confident2 Ų262.5 Ų62.51%0.00832%0.317CS..Hα-helixtrans-68.5-34179-57.7126.7000113.5I637 V640 A682 Y683 A684 L689 T690 Q757 L758I637-W686 HydrophobicContact CD1-CZ2 4.23Å; I637-W686 HydrophobicContact CG1-CZ2 3.87Å; V640-W686 HydrophobicContact CB-CH2 4.04Å; V640-W686 HydrophobicContact CB-CZ3 3.97Å; V640-W686 HydrophobicContact CG1-CE3 3.77Å; V640-W686 HydrophobicContact CG1-CH2 3.88Å; V640-W686 HydrophobicContact CG1-CZ3 3.29Å; A682-W686 PolarHBondContact O-N 3.18Å; A682-W686 PolarHBondContact O-NE1 3.26Å; Y683-W686 PolarHBondContact O-N 3.47Å; A684-W686 PolarHBondContact O-N 3.47Å; W686-L689 HydrophobicContact CE3-CD2 4.06Å; W686-L689 HydrophobicContact CZ3-CD2 4.12Å; W686-T690 PolarHBondContact O-N 2.68Å; W686-T690 VanDerWaalsContact O-N 3.13Å; W686-T690 PolarHBondContact O-OG1 3.14Å; W686-Q757 HydrophobicContact CD2-CG 4.44Å; W686-Q757 HydrophobicContact CG-CG 4.32Å; W686-L758 HydrophobicContact CB-CD2 3.97Å; W686-L758 HydrophobicContact CB-CG 4.2Å
687L85.2Confident85.5Confident93 Ų9353 Ų5349%0.48728%0.282SS..Hα-helixtrans-68.6-48.9176.4-175.966.7000111.3Y683 A684 L689 T690 F691Y683-L687 PolarHBondContact O-N 2.89Å; A684-L687 PolarHBondContact O-N 3.45Å; L687-L689 VanDerWaalsContact C-N 3.33Å; L687-L689 PolarHBondContact O-N 2.72Å; L687-T690 PolarHBondContact O-N 3.49Å; L687-F691 PolarHBondContact O-N 3.01Å
688T85.9Confident85.5Confident96 Ų9654.1 Ų54.159%0.58929%0.287SS*.Hα-helixtrans-58.4-44.5176.5-59.10000111.3A684 T690 F691 Y692A684-T688 PolarHBondContact O-N 3.49Å; A684-T688 PolarHBondContact O-OG1 2.95Å; A684-T688 VanDerWaalsContact O-OG1 3.1Å; T688-T690 VanDerWaalsContact C-N 3.34Å; T688-T690 PolarHBondContact O-N 3.21Å; T688-F691 PolarHBondContact O-N 3.15Å; T688-Y692 WeakPolarHBondContact O-CB 3.34Å; T688-Y692 PolarHBondContact O-N 2.86Å
689L88.6Confident85.3Confident4 Ų454.6 Ų54.62%0.02130%0.298CS..Hα-helixtrans-59.6-42.9176.3-178.659.8000112L644 F660 F685 W686 L687 Y692 T693 L750 T754L644-L689 HydrophobicContact CD1-CD1 4.16Å; L644-L689 HydrophobicContact CD1-CD2 4.4Å; F660-L689 HydrophobicContact CD1-CD1 4.12Å; F660-L689 HydrophobicContact CE1-CD1 3.82Å; F685-L689 WeakPolarHBondContact O-CB 3.41Å; F685-L689 PolarHBondContact O-N 2.67Å; W686-L689 HydrophobicContact CE3-CD2 4.06Å; W686-L689 HydrophobicContact CZ3-CD2 4.12Å; L687-L689 VanDerWaalsContact C-N 3.33Å; L687-L689 PolarHBondContact O-N 2.72Å; L689-Y692 PolarHBondContact O-N 3.2Å; L689-T693 WeakPolarHBondContact O-CG2 3.34Å; L689-T693 PolarHBondContact O-N 3.37Å; L689-T693 PolarHBondContact O-OG1 2.91Å; L689-L750 HydrophobicContact CD1-CD2 4.33Å; L689-L750 HydrophobicContact CD2-CD1 4.44Å; L689-T754 HydrophobicContact CD2-CG2 3.76Å; L689-T754 HydrophobicContact CG-CG2 4.14Å
690T85.1Confident85.4Confident5 Ų550.6 Ų50.63%0.03128%0.283CS..Hα-helixtrans-70-39.7-178.5-48.90000112.1W686 L687 T688 T693 S694 F751 T754 M755W686-T690 PolarHBondContact O-N 2.68Å; W686-T690 VanDerWaalsContact O-N 3.13Å; W686-T690 PolarHBondContact O-OG1 3.14Å; L687-T690 PolarHBondContact O-N 3.49Å; T688-T690 VanDerWaalsContact C-N 3.34Å; T688-T690 PolarHBondContact O-N 3.21Å; T690-T693 WeakPolarHBondContact CA-OG1 3.46Å; T690-T693 PolarHBondContact O-N 3.4Å; T690-T693 PolarHBondContact O-OG1 3.24Å; T690-S694 PolarHBondContact O-N 3.09Å; T690-S694 VanDerWaalsContact O-N 3.14Å; T690-F751 HydrophobicContact CG2-CD2 3.74Å; T690-F751 HydrophobicContact CG2-CE2 3.9Å; T690-T754 VanDerWaalsContact OG1-CB 3.23Å; T690-T754 WeakPolarHBondContact OG1-CB 3.41Å; T690-T754 PolarHBondContact OG1-OG1 3.11Å; T690-M755 HydrophobicContact CG2-CE 3.59Å; T690-M755 HydrophobicContact CG2-CG 4.04Å
691F85.5Confident85.4Confident139 Ų13947.5 Ų47.561%0.6125%0.251SS*.Hα-helixtrans-61.5-45.9173.5-176.8-107.2000111.3L687 T688 T693 S694 I695L687-F691 PolarHBondContact O-N 3.01Å; T688-F691 PolarHBondContact O-N 3.15Å; F691-T693 PolarHBondContact O-N 3.02Å; F691-S694 PolarHBondContact O-N 3.03Å; F691-S694 VanDerWaalsContact O-N 3.16Å; F691-S694 PolarHBondContact O-OG 3.37Å; F691-I695 HydrophobicContact CD1-CD1 3.98Å; F691-I695 HydrophobicContact CE1-CD1 3.52Å; F691-I695 HydrophobicContact CZ-CD1 3.86Å; F691-I695 PolarHBondContact O-N 3.45Å
692Y88.5Confident85.4Confident57 Ų5746.8 Ų46.822%0.22425%0.247CC..Hα-helixtrans-56.7-47.2175.3-176.7-116.3000112.1Y656 L659 F660 T688 L689 S694 I695 V696Y656-Y692 WeakPolarHBondContact CA-OH 3.46Å; Y656-Y692 WeakPolarHBondContact CB-OH 3.46Å; L659-Y692 HydrophobicContact CD2-CE2 4.15Å; F660-Y692 HydrophobicContact CD1-CD1 4.37Å; F660-Y692 HydrophobicContact CD1-CE1 4.11Å; F660-Y692 AromaticContact CE1-CD1 3.56Å; F660-Y692 HydrophobicContact CE1-CD1 3.56Å; F660-Y692 AromaticContact CE1-CE1 3.54Å; F660-Y692 HydrophobicContact CE1-CE1 3.54Å; F660-Y692 HydrophobicContact CE2-CE1 4.08Å; F660-Y692 AromaticContact CZ-CD1 3.8Å; F660-Y692 HydrophobicContact CZ-CD1 3.8Å; F660-Y692 AromaticContact CZ-CE1 3.52Å; F660-Y692 HydrophobicContact CZ-CE1 3.52Å; T688-Y692 WeakPolarHBondContact O-CB 3.34Å; T688-Y692 PolarHBondContact O-N 2.86Å; L689-Y692 PolarHBondContact O-N 3.2Å; Y692-S694 VanDerWaalsContact C-N 3.32Å; Y692-S694 PolarHBondContact O-N 2.86Å; Y692-I695 PolarHBondContact O-N 3.32Å; Y692-V696 HydrophobicContact CE1-CG2 4.44Å; Y692-V696 HydrophobicContact CE2-CG2 4.46Å; Y692-V696 PolarHBondContact O-N 2.8Å
693T87.3Confident85.4Confident0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-60.6-35.9176.654.40000114F660 L689 T690 F691 I695 V696 I697 L750F660-T693 HydrophobicContact CE1-CG2 4.45Å; F660-T693 HydrophobicContact CZ-CG2 4.39Å; L689-T693 WeakPolarHBondContact O-CG2 3.34Å; L689-T693 PolarHBondContact O-N 3.37Å; L689-T693 PolarHBondContact O-OG1 2.91Å; T690-T693 WeakPolarHBondContact CA-OG1 3.46Å; T690-T693 PolarHBondContact O-N 3.4Å; T690-T693 PolarHBondContact O-OG1 3.24Å; F691-T693 PolarHBondContact O-N 3.02Å; T693-I695 PolarHBondContact O-N 3.47Å; T693-V696 PolarHBondContact O-N 2.71Å; T693-I697 WeakPolarHBondContact O-CG1 3.48Å; T693-I697 PolarHBondContact O-N 3.2Å; T693-I697 VanDerWaalsContact O-N 3.1Å; T693-L750 HydrophobicContact CG2-CB 4.3Å; T693-L750 HydrophobicContact CG2-CD2 3.58Å; T693-L750 HydrophobicContact CG2-CG 3.83Å
694S82.7Confident85.1Confident35 Ų3541.6 Ų41.625%0.24523%0.226CC..Hα-helixtrans-67.8-33.5178.158.90000113.4T690 F691 Y692 I698T690-S694 PolarHBondContact O-N 3.09Å; T690-S694 VanDerWaalsContact O-N 3.14Å; F691-S694 PolarHBondContact O-N 3.03Å; F691-S694 VanDerWaalsContact O-N 3.16Å; F691-S694 PolarHBondContact O-OG 3.37Å; Y692-S694 VanDerWaalsContact C-N 3.32Å; Y692-S694 PolarHBondContact O-N 2.86Å; S694-I698 WeakPolarHBondContact O-CD1 3.43Å; S694-I698 WeakPolarHBondContact O-CG1 3.44Å; S694-I698 PolarHBondContact O-N 3.04Å
695I84.8Confident84.7Confident88 Ų8840.4 Ų40.445%0.45121%0.211SC..Hα-helixtrans-68.1-44.3175.6-67.5171000110.1F691 Y692 T693 I697 I698 A699F691-I695 HydrophobicContact CD1-CD1 3.98Å; F691-I695 HydrophobicContact CE1-CD1 3.52Å; F691-I695 HydrophobicContact CZ-CD1 3.86Å; F691-I695 PolarHBondContact O-N 3.45Å; Y692-I695 PolarHBondContact O-N 3.32Å; T693-I695 PolarHBondContact O-N 3.47Å; I695-I697 PolarHBondContact O-N 3.39Å; I695-I698 PolarHBondContact O-N 3.3Å; I695-A699 WeakPolarHBondContact O-CB 3.47Å; I695-A699 PolarHBondContact O-N 3.38Å
696V85.3Confident84Confident18 Ų1841.6 Ų41.611%0.10922%0.223CC..Hα-helixtrans-59.8-46.4178.3174.40000111.5Y692 T693 I698 A699 L700 P747Y692-V696 HydrophobicContact CE1-CG2 4.44Å; Y692-V696 HydrophobicContact CE2-CG2 4.46Å; Y692-V696 PolarHBondContact O-N 2.8Å; T693-V696 PolarHBondContact O-N 2.71Å; V696-I698 PolarHBondContact O-N 3.05Å; V696-A699 PolarHBondContact O-N 3.45Å; V696-L700 HydrophobicContact CG1-CD1 3.79Å; V696-L700 HydrophobicContact CG1-CG 4.4Å; V696-L700 WeakPolarHBondContact O-CB 3.29Å; V696-L700 VanDerWaalsContact O-CG 3.31Å; V696-L700 WeakPolarHBondContact O-CG 3.33Å; V696-L700 PolarHBondContact O-N 3.38Å; V696-P747 HydrophobicContact CG1-CG 4.39Å
697I84.4Confident83.4Confident13 Ų1343.8 Ų43.87%0.06725%0.245CC..Hα-helixtrans-58.8-46.1177.8-69.7164.3000111.6T693 I695 Y701 L744 P747 I748 F751T693-I697 WeakPolarHBondContact O-CG1 3.48Å; T693-I697 PolarHBondContact O-N 3.2Å; T693-I697 VanDerWaalsContact O-N 3.1Å; I695-I697 PolarHBondContact O-N 3.39Å; I697-Y701 PolarHBondContact O-N 2.76Å; I697-L744 HydrophobicContact CG2-CD2 4.05Å; I697-P747 HydrophobicContact CD1-CB 4.28Å; I697-P747 HydrophobicContact CG1-CB 3.74Å; I697-I748 HydrophobicContact CD1-CG1 3.94Å; I697-I748 HydrophobicContact CG1-CG1 4.29Å; I697-F751 HydrophobicContact CD1-CB 4.2Å
698I82.3Confident83Confident96 Ų9641.4 Ų41.449%0.49223%0.234SC..Hα-helixtrans-69-43-177.7-68.4168.6000111S694 I695 V696 Y701 I702S694-I698 WeakPolarHBondContact O-CD1 3.43Å; S694-I698 WeakPolarHBondContact O-CG1 3.44Å; S694-I698 PolarHBondContact O-N 3.04Å; I695-I698 PolarHBondContact O-N 3.3Å; V696-I698 PolarHBondContact O-N 3.05Å; I698-Y701 PolarHBondContact O-N 2.85Å; I698-I702 HydrophobicContact CG2-CD1 3.59Å; I698-I702 HydrophobicContact CG2-CG1 4.39Å; I698-I702 WeakPolarHBondContact O-CB 3.49Å; I698-I702 WeakPolarHBondContact O-CG1 3.48Å; I698-I702 PolarHBondContact O-N 3.48Å
699A83Confident82.5Confident42 Ų4237.3 Ų37.335%0.34721%0.21SC..Hα-helixtrans-61.7-45.6178.500000112I695 V696 Y701 I702 Y703I695-A699 WeakPolarHBondContact O-CB 3.47Å; I695-A699 PolarHBondContact O-N 3.38Å; V696-A699 PolarHBondContact O-N 3.45Å; A699-Y701 PolarHBondContact O-N 2.84Å; A699-I702 PolarHBondContact O-N 3.06Å; A699-Y703 PolarHBondContact O-N 3.34Å; A699-Y703 VanDerWaalsContact O-N 3.17Å
700L84.1Confident81.8Confident7 Ų742.9 Ų42.94%0.03724%0.236CC..Hα-helixtrans-64.4-38.8179.6-71.3172.3000112.9V696 Q704 L744V696-L700 HydrophobicContact CG1-CD1 3.79Å; V696-L700 HydrophobicContact CG1-CG 4.4Å; V696-L700 WeakPolarHBondContact O-CB 3.29Å; V696-L700 VanDerWaalsContact O-CG 3.31Å; V696-L700 WeakPolarHBondContact O-CG 3.33Å; V696-L700 PolarHBondContact O-N 3.38Å; L700-Q704 WeakPolarHBondContact O-CG 3.36Å; L700-Q704 PolarHBondContact O-NE2 3.46Å; L700-Q704 VanDerWaalsContact O-NE2 3.15Å; L700-L744 HydrophobicContact CB-CG 4.5Å
701Y83.2Confident81.7Confident1 Ų150 Ų500%0.00426%0.262CS..Hα-helixtrans-71.3-41.8177.8-169.3-82.3000112.1A476 L485 L488 I697 I698 A699 Y703 Q704 F705A476-Y701 PolarHBondContact O-OH 3.03Å; A476-Y701 VanDerWaalsContact O-OH 3.07Å; L485-Y701 HydrophobicContact CB-CE1 4.01Å; L485-Y701 HydrophobicContact CD1-CD1 3.85Å; L485-Y701 HydrophobicContact CD1-CE1 3.78Å; L485-Y701 HydrophobicContact CG-CE1 4.42Å; L488-Y701 HydrophobicContact CD2-CD1 4.08Å; L488-Y701 HydrophobicContact CD2-CD2 3.61Å; L488-Y701 HydrophobicContact CD2-CE1 4.26Å; L488-Y701 HydrophobicContact CD2-CE2 3.79Å; L488-Y701 HydrophobicContact CD2-CG 3.76Å; I697-Y701 PolarHBondContact O-N 2.76Å; I698-Y701 PolarHBondContact O-N 2.85Å; A699-Y701 PolarHBondContact O-N 2.84Å; Y701-Y703 VanDerWaalsContact C-N 3.31Å; Y701-Y703 PolarHBondContact O-N 2.76Å; Y701-Q704 PolarHBondContact O-N 3.25Å; Y701-F705 HydrophobicContact CD1-CE2 4.37Å; Y701-F705 HydrophobicContact CE1-CE2 4.11Å; Y701-F705 HydrophobicContact CE1-CZ 4.46Å
702I84.9Confident81.4Confident67 Ų6745 Ų4534%0.34424%0.241SC..Hα-helixtrans-66.5-32.6-179-73.5175.5000112.2I698 A699 Q704 F705 V708I698-I702 HydrophobicContact CG2-CD1 3.59Å; I698-I702 HydrophobicContact CG2-CG1 4.39Å; I698-I702 WeakPolarHBondContact O-CB 3.49Å; I698-I702 WeakPolarHBondContact O-CG1 3.48Å; I698-I702 PolarHBondContact O-N 3.48Å; A699-I702 PolarHBondContact O-N 3.06Å; I702-Q704 PolarHBondContact O-N 2.87Å; I702-Q704 VanDerWaalsContact O-N 3.17Å; I702-F705 PolarHBondContact O-N 3.48Å; I702-V708 HydrophobicContact CG2-CG1 3.79Å
703Y83.7Confident81Confident13 Ų1346 Ų465%0.05125%0.25CC..THydrogen-bonded Turntrans-63.7-19.8-178-164.1-102.9000114.2A699 Y701 I712 L728 V729 D730A699-Y703 PolarHBondContact O-N 3.34Å; A699-Y703 VanDerWaalsContact O-N 3.17Å; Y701-Y703 VanDerWaalsContact C-N 3.31Å; Y701-Y703 PolarHBondContact O-N 2.76Å; Y703-I712 HydrophobicContact CD2-CD1 3.83Å; Y703-I712 HydrophobicContact CE2-CD1 4.1Å; Y703-L728 HydrophobicContact CD2-CB 4.36Å; Y703-L728 HydrophobicContact CD2-CD2 4.44Å; Y703-L728 HydrophobicContact CE2-CB 4.19Å; Y703-V729 WeakPolarHBondContact CD1-O 3.43Å; Y703-D730 HydrophobicContact CE1-CB 4.35Å
704Q80.9Confident80.8Confident13 Ų1355.5 Ų55.56%0.06129%0.286CS..THydrogen-bonded Turntrans-83.2-11.4-172.7-48.9-61.9-48.100114.1L700 Y701 I702 P706 V729 L740L700-Q704 WeakPolarHBondContact O-CG 3.36Å; L700-Q704 PolarHBondContact O-NE2 3.46Å; L700-Q704 VanDerWaalsContact O-NE2 3.15Å; Y701-Q704 PolarHBondContact O-N 3.25Å; I702-Q704 PolarHBondContact O-N 2.87Å; I702-Q704 VanDerWaalsContact O-N 3.17Å; Q704-P706 WeakPolarHBondContact O-CD 3.43Å; Q704-V729 PolarHBondContact NE2-O 3.47Å; Q704-V729 VanDerWaalsContact NE2-O 3.15Å; Q704-L740 HydrophobicContact CB-CD1 4.31Å; Q704-L740 HydrophobicContact CG-CD1 3.51Å
705F78.9Confident80.9Confident26 Ų2658.7 Ų58.711%0.11430%0.3CS..SBendtrans-72.8120.1170.2-71.7-84.5000108.4H480 I482 Y701 I702 G707 V708 S709H480-F705 AromaticContact CE1-CD1 3.77Å; H480-F705 AromaticContact CE1-CE1 3.58Å; H480-F705 AromaticContact CE1-CE2 3.86Å; H480-F705 AromaticContact CE1-CG 3.99Å; H480-F705 AromaticContact CE1-CZ 3.63Å; H480-F705 AromaticContact NE2-CE2 3.74Å; H480-F705 AromaticContact NE2-CZ 3.86Å; I482-F705 HydrophobicContact CG1-CE1 3.88Å; I482-F705 HydrophobicContact CG1-CZ 4.2Å; Y701-F705 HydrophobicContact CD1-CE2 4.37Å; Y701-F705 HydrophobicContact CE1-CE2 4.11Å; Y701-F705 HydrophobicContact CE1-CZ 4.46Å; I702-F705 PolarHBondContact O-N 3.48Å; F705-G707 PolarHBondContact O-N 2.94Å; F705-G707 VanDerWaalsContact O-N 3.09Å; F705-V708 HydrophobicContact CB-CB 4.12Å; F705-V708 HydrophobicContact CB-CG2 3.76Å; F705-V708 WeakPolarHBondContact O-CA 3.12Å; F705-V708 PolarHBondContact O-N 3.36Å; F705-S709 PolarHBondContact O-N 2.92Å
706P72.4Confident80.4Confident59 Ų5957.4 Ų57.438%0.38330%0.296SS..Hα-helixtrans-63.3-22.7-174.723-33.4000113.3Q704 S709 Q710Q704-P706 WeakPolarHBondContact O-CD 3.43Å; P706-S709 PolarHBondContact O-OG 3.47Å; P706-Q710 VanDerWaalsContact O-CG 3.27Å; P706-Q710 WeakPolarHBondContact O-CG 2.98Å
707G73.6Confident79.9Confident47 Ų4762.2 Ų62.249%0.48533%0.331SS..Hα-helixtrans-73.7-21.7170.500000114.5F705 W711F705-G707 PolarHBondContact O-N 2.94Å; F705-G707 VanDerWaalsContact O-N 3.09Å; G707-W711 WeakPolarHBondContact O-CB 3.02Å; G707-W711 PolarHBondContact O-N 3.26Å
708V77.2Confident79.5Confident43 Ų4365 Ų6526%0.26135%0.346SS..Hα-helixtrans-92.3-40.3-178.6-178.80000111.8I702 F705 Q710 W711 I712I702-V708 HydrophobicContact CG2-CG1 3.79Å; F705-V708 HydrophobicContact CB-CB 4.12Å; F705-V708 HydrophobicContact CB-CG2 3.76Å; F705-V708 WeakPolarHBondContact O-CA 3.12Å; F705-V708 PolarHBondContact O-N 3.36Å; V708-Q710 VanDerWaalsContact C-N 3.33Å; V708-Q710 PolarHBondContact O-N 3.44Å; V708-W711 WeakPolarHBondContact O-CB 3.42Å; V708-W711 PolarHBondContact O-N 2.83Å; V708-W711 VanDerWaalsContact O-N 3.09Å; V708-I712 HydrophobicContact CG1-CD1 4.28Å; V708-I712 PolarHBondContact O-N 2.82Å
709S75.5Confident79.3Confident10 Ų1063.2 Ų63.27%0.0734%0.341CS..Hα-helixtrans-58-47.4173.558.30000111F705 P706 W711 I712 I713F705-S709 PolarHBondContact O-N 2.92Å; P706-S709 PolarHBondContact O-OG 3.47Å; S709-W711 VanDerWaalsContact C-N 3.29Å; S709-W711 PolarHBondContact O-N 3.35Å; S709-I712 PolarHBondContact O-N 2.87Å; S709-I713 WeakPolarHBondContact O-CG1 3.4Å; S709-I713 PolarHBondContact O-N 3.48Å; S709-I713 VanDerWaalsContact O-N 3.16Å
710Q75.4Confident79Confident122 Ų12267.7 Ų67.757%0.5736%0.355SS*.Hα-helixtrans-60.9-33.5173.5-68.5-178.38.900113.4P706 V708 R714P706-Q710 VanDerWaalsContact O-CG 3.27Å; P706-Q710 WeakPolarHBondContact O-CG 2.98Å; V708-Q710 VanDerWaalsContact C-N 3.33Å; V708-Q710 PolarHBondContact O-N 3.44Å; Q710-R714 VanDerWaalsContact O-CB 3.23Å; Q710-R714 WeakPolarHBondContact O-CB 3.5Å; Q710-R714 PolarHBondContact O-N 3.05Å; Q710-R714 VanDerWaalsContact O-N 3.13Å
711W81.3Confident78.6Confident154 Ų15474.9 Ų74.958%0.58339%0.388SS*.Hα-helixtrans-71-42.3177.8179.989.9000112.2G707 V708 S709 R714 N715G707-W711 WeakPolarHBondContact O-CB 3.02Å; G707-W711 PolarHBondContact O-N 3.26Å; V708-W711 WeakPolarHBondContact O-CB 3.42Å; V708-W711 PolarHBondContact O-N 2.83Å; V708-W711 VanDerWaalsContact O-N 3.09Å; S709-W711 VanDerWaalsContact C-N 3.29Å; S709-W711 PolarHBondContact O-N 3.35Å; W711-R714 PolarHBondContact O-N 3.38Å; W711-N715 VanDerWaalsContact CE2-ND2 3.28Å; W711-N715 WeakPolarHBondContact CZ2-ND2 3.44Å; W711-N715 PolarHBondContact NE1-ND2 2.9Å; W711-N715 WeakPolarHBondContact O-CB 3.39Å; W711-N715 PolarHBondContact O-N 3.46Å
712I80.4Confident78.6Confident33 Ų3380.4 Ų80.417%0.16941%0.409CS..Hα-helixtrans-63.4-48.7177.5-67.6175.2000110.5Y703 V708 S709 R714 N715 T716 L723Y703-I712 HydrophobicContact CD2-CD1 3.83Å; Y703-I712 HydrophobicContact CE2-CD1 4.1Å; V708-I712 HydrophobicContact CG1-CD1 4.28Å; V708-I712 PolarHBondContact O-N 2.82Å; S709-I712 PolarHBondContact O-N 2.87Å; I712-R714 VanDerWaalsContact C-N 3.32Å; I712-R714 PolarHBondContact O-N 2.68Å; I712-N715 PolarHBondContact O-N 2.79Å; I712-T716 HydrophobicContact CG2-CG2 4.3Å; I712-T716 WeakPolarHBondContact O-CB 3.38Å; I712-T716 PolarHBondContact O-N 3.23Å; I712-T716 PolarHBondContact O-OG1 2.89Å; I712-L723 HydrophobicContact CG2-CD2 4.45Å
713I80.5Confident78.4Confident78 Ų7877.3 Ų77.340%0.439%0.393SS..Hα-helixtrans-59.9-43.9179.7-65166.3000110.4S709 L723S709-I713 WeakPolarHBondContact O-CG1 3.4Å; S709-I713 PolarHBondContact O-N 3.48Å; S709-I713 VanDerWaalsContact O-N 3.16Å; I713-L723 HydrophobicContact CG1-CD1 4.05Å
714R83Confident78.1Confident201 Ų20179.9 Ų79.976%0.75841%0.408SS*.Hα-helixtrans-68.6-35.4-179.7-170.4177.5-63.6-1752113.9Q710 W711 I712Q710-R714 VanDerWaalsContact O-CB 3.23Å; Q710-R714 WeakPolarHBondContact O-CB 3.5Å; Q710-R714 PolarHBondContact O-N 3.05Å; Q710-R714 VanDerWaalsContact O-N 3.13Å; W711-R714 PolarHBondContact O-N 3.38Å; I712-R714 VanDerWaalsContact C-N 3.32Å; I712-R714 PolarHBondContact O-N 2.68Å
715N83.4Confident78Confident101 Ų10179.9 Ų79.954%0.5441%0.411SS..Hα-helixtrans-95.5-24.7-174.1-80.96.5000115.2W711 I712W711-N715 VanDerWaalsContact CE2-ND2 3.28Å; W711-N715 WeakPolarHBondContact CZ2-ND2 3.44Å; W711-N715 PolarHBondContact NE1-ND2 2.9Å; W711-N715 WeakPolarHBondContact O-CB 3.39Å; W711-N715 PolarHBondContact O-N 3.46Å; I712-N715 PolarHBondContact O-N 2.79Å
716T75.7Confident78.1Confident61 Ų6181.6 Ų81.637%0.37442%0.42SS..Hα-helixtrans-103.7-11.1-171.763.60000115I712 L718I712-T716 HydrophobicContact CG2-CG2 4.3Å; I712-T716 WeakPolarHBondContact O-CB 3.38Å; I712-T716 PolarHBondContact O-N 3.23Å; I712-T716 PolarHBondContact O-OG1 2.89Å; T716-L718 PolarHBondContact O-N 3.26Å
717S74.7Confident78.3Confident119 Ų11978.9 Ų78.983%0.83240%0.403SS*.  trans57.69.8-17867.20000116.5S719S717-S719 PolarHBondContact O-N 3.45Å
718L74.7Confident78.7Confident73 Ų7378.5 Ų78.538%0.38239%0.39SS..  trans-71.2124.3172.8-71.1166.4000110.1T716 W722 L723T716-L718 PolarHBondContact O-N 3.26Å; L718-W722 HydrophobicContact CD2-CB 4.39Å; L718-L723 HydrophobicContact CB-CD1 4.45Å; L718-L723 HydrophobicContact CB-CD2 4.46Å; L718-L723 HydrophobicContact CB-CG 4.16Å; L718-L723 HydrophobicContact CD1-CD2 4.42Å
719S78.9Confident78.6Confident57 Ų5778.5 Ų78.540%0.39939%0.39SS..  trans-63.7151.8172.353.10000111.5S717 E721 W722 L723S717-S719 PolarHBondContact O-N 3.45Å; S719-E721 PolarHBondContact O-N 2.87Å; S719-W722 PolarHBondContact O-N 3.25Å; S719-L723 PolarHBondContact O-N 3.16Å; S719-L723 VanDerWaalsContact O-N 3.13Å
720Q76.2Confident78.6Confident136 Ų13680.1 Ų80.164%0.63640%0.398SS*.Hα-helixtrans-58.8-31.8-177.8-165.7162.6-17.500113.1W722 L723 N724Q720-W722 PolarHBondContact O-N 3.01Å; Q720-L723 PolarHBondContact O-N 3.12Å; Q720-N724 WeakPolarHBondContact O-CB 3.21Å; Q720-N724 PolarHBondContact O-N 3.5Å; Q720-N724 PolarHBondContact O-OD1 2.62Å
721E76.6Confident78.5Confident159 Ų15974.7 Ų74.774%0.74337%0.372SS*.Hα-helixtrans-60.1-42.5172.4-66168.7-166.700113.3S719 N724 A725S719-E721 PolarHBondContact O-N 2.87Å; E721-N724 PolarHBondContact O-N 3.48Å; E721-A725 WeakPolarHBondContact O-CB 3.4Å; E721-A725 PolarHBondContact O-N 3.06Å
722W82.8Confident77.8Confident116 Ų11675.7 Ų75.744%0.43938%0.376SS..Hα-helixtrans-71-36.8176.7-90.5100.2000111.6F655 L718 S719 Q720 N724 A725 I726 I891F655-W722 HydrophobicContact CE2-CZ3 4.05Å; F655-W722 HydrophobicContact CZ-CZ3 4.33Å; L718-W722 HydrophobicContact CD2-CB 4.39Å; S719-W722 PolarHBondContact O-N 3.25Å; Q720-W722 PolarHBondContact O-N 3.01Å; W722-N724 VanDerWaalsContact C-N 3.34Å; W722-A725 PolarHBondContact O-N 3.4Å; W722-I726 WeakPolarHBondContact O-CB 3.25Å; W722-I726 WeakPolarHBondContact O-CD1 3.3Å; W722-I726 VanDerWaalsContact O-CG1 3.22Å; W722-I726 WeakPolarHBondContact O-CG1 3.28Å; W722-I726 PolarHBondContact O-N 3.13Å; W722-I891 HydrophobicContact CD2-CD1 4.39Å; W722-I891 HydrophobicContact CH2-CD1 3.9Å; W722-I891 HydrophobicContact CZ2-CD1 3.47Å; W722-I891 VanDerWaalsContact CZ2-CD1 3.47Å
723L81Confident77.1Confident2 Ų278.1 Ų78.11%0.0140%0.401CS..Hα-helixtrans-64.2-39.7173-73.1163.2000111.4I712 I713 L718 S719 Q720 I726 G727 L728I712-L723 HydrophobicContact CG2-CD2 4.45Å; I713-L723 HydrophobicContact CG1-CD1 4.05Å; L718-L723 HydrophobicContact CB-CD1 4.45Å; L718-L723 HydrophobicContact CB-CD2 4.46Å; L718-L723 HydrophobicContact CB-CG 4.16Å; L718-L723 HydrophobicContact CD1-CD2 4.42Å; S719-L723 PolarHBondContact O-N 3.16Å; S719-L723 VanDerWaalsContact O-N 3.13Å; Q720-L723 PolarHBondContact O-N 3.12Å; L723-I726 PolarHBondContact O-N 2.7Å; L723-G727 PolarHBondContact O-N 2.87Å; L723-L728 HydrophobicContact CD2-CB 4.35Å; L723-L728 HydrophobicContact CD2-CD1 3.98Å; L723-L728 PolarHBondContact O-N 3.41Å
724N77.1Confident76.4Confident67 Ų6778.6 Ų78.636%0.35840%0.403SS..Hα-helixtrans-64.9-45.6173.9-70.5-6.2000111.8Q720 E721 W722 I726 G727Q720-N724 WeakPolarHBondContact O-CB 3.21Å; Q720-N724 PolarHBondContact O-N 3.5Å; Q720-N724 PolarHBondContact O-OD1 2.62Å; E721-N724 PolarHBondContact O-N 3.48Å; W722-N724 VanDerWaalsContact C-N 3.34Å; N724-I726 VanDerWaalsContact C-N 3.31Å; N724-I726 PolarHBondContact O-N 2.76Å; N724-G727 VanDerWaalsContact O-CA 3.24Å; N724-G727 WeakPolarHBondContact O-CA 3.34Å; N724-G727 PolarHBondContact O-N 3.05Å
725A78.5Confident75.1Confident14 Ų1472.4 Ų72.412%0.11640%0.403CS..Hα-helixtrans-64-33.7177.100000113.1F655 E721 W722 G727F655-A725 HydrophobicContact CD2-CB 4.39Å; F655-A725 WeakPolarHBondContact CD2-O 3.23Å; F655-A725 HydrophobicContact CE2-CB 4.34Å; F655-A725 PolarHBondContact N-O 3.23Å; E721-A725 WeakPolarHBondContact O-CB 3.4Å; E721-A725 PolarHBondContact O-N 3.06Å; W722-A725 PolarHBondContact O-N 3.4Å; A725-G727 VanDerWaalsContact C-N 3.31Å
726I81.7Confident73.8Confident61 Ų6173.9 Ų73.931%0.31341%0.406SS..Hα-helixtrans-67.9-34.3168.7-68.4164.4000110.6Y656 W722 L723 N724 L728Y656-I726 WeakPolarHBondContact CD1-O 3.24Å; W722-I726 WeakPolarHBondContact O-CB 3.25Å; W722-I726 WeakPolarHBondContact O-CD1 3.3Å; W722-I726 VanDerWaalsContact O-CG1 3.22Å; W722-I726 WeakPolarHBondContact O-CG1 3.28Å; W722-I726 PolarHBondContact O-N 3.13Å; L723-I726 PolarHBondContact O-N 2.7Å; N724-I726 VanDerWaalsContact C-N 3.31Å; N724-I726 PolarHBondContact O-N 2.76Å; I726-L728 HydrophobicContact CG2-CD1 4.12Å; I726-L728 HydrophobicContact CG2-CG 4.19Å
727G76.5Confident72.8Confident3 Ų377.6 Ų77.63%0.03143%0.434CS..THydrogen-bonded Turntrans97.330.9178.900000114.4L723 N724 A725L723-G727 PolarHBondContact O-N 2.87Å; N724-G727 VanDerWaalsContact O-CA 3.24Å; N724-G727 WeakPolarHBondContact O-CA 3.34Å; N724-G727 PolarHBondContact O-N 3.05Å; A725-G727 VanDerWaalsContact C-N 3.31Å
728L81Confident72.2Confident38 Ų3873.8 Ų73.820%0.19941%0.414CS..  trans-98.496.1173-71.9169.1000109.7Y703 L723 I726Y703-L728 HydrophobicContact CD2-CB 4.36Å; Y703-L728 HydrophobicContact CD2-CD2 4.44Å; Y703-L728 HydrophobicContact CE2-CB 4.19Å; L723-L728 HydrophobicContact CD2-CB 4.35Å; L723-L728 HydrophobicContact CD2-CD1 3.98Å; L723-L728 PolarHBondContact O-N 3.41Å; I726-L728 HydrophobicContact CG2-CD1 4.12Å; I726-L728 HydrophobicContact CG2-CG 4.19Å
729V76.3Confident71.9Confident44 Ų4470.8 Ų70.827%0.26740%0.4SS..  trans-122.7143.4-172.7-173.40000110.9Y703 Q704 F731 I734Y703-V729 WeakPolarHBondContact CD1-O 3.43Å; Q704-V729 PolarHBondContact NE2-O 3.47Å; Q704-V729 VanDerWaalsContact NE2-O 3.15Å; V729-F731 HydrophobicContact CB-CE1 4.11Å; V729-F731 HydrophobicContact CB-CZ 4.39Å; V729-F731 HydrophobicContact CG1-CE1 4.44Å; V729-I734 HydrophobicContact CG1-CD1 3.98Å
730D74.2Confident71.4Confident44 Ų4469.4 Ų69.424%0.23539%0.388CS..  trans-83.9109174.4-173.3-24000109.4Y703 R732 A733Y703-D730 HydrophobicContact CE1-CB 4.35Å; D730-R732 VanDerWaalsContact C-N 3.3Å; D730-R732 PolarHBondContact O-N 3.03Å; D730-R732 VanDerWaalsContact OD1-CB 3.32Å; D730-R732 WeakPolarHBondContact OD1-CB 3.36Å; D730-R732 PolarHBondContact OD1-N 3.44Å; D730-A733 PolarHBondContact O-N 2.95Å
731F74.7Confident71.1Confident8 Ų867.9 Ų67.94%0.03538%0.379CS..G310 helixtrans-77.8-15.2-176.7-57.6-60.4000112.7V729 A733 I734 L740 Q743V729-F731 HydrophobicContact CB-CE1 4.11Å; V729-F731 HydrophobicContact CB-CZ 4.39Å; V729-F731 HydrophobicContact CG1-CE1 4.44Å; F731-A733 VanDerWaalsContact C-N 3.25Å; F731-A733 PolarHBondContact O-N 3.01Å; F731-I734 HydrophobicContact CD1-CD1 3.94Å; F731-I734 HydrophobicContact CE1-CD1 4.49Å; F731-I734 PolarHBondContact O-N 2.89Å; F731-L740 HydrophobicContact CB-CB 4.22Å; F731-L740 HydrophobicContact CD2-CB 4.25Å; F731-L740 HydrophobicContact CD2-CD1 4.4Å; F731-L740 HydrophobicContact CG-CB 4.49Å; F731-Q743 HydrophobicContact CE1-CG 4.4Å; F731-Q743 HydrophobicContact CZ-CB 4.45Å; F731-Q743 HydrophobicContact CZ-CG 4.49Å
732R65.8Low70.8Confident174 Ų17466.1 Ų66.166%0.65738%0.375SS*.G310 helixtrans-69.6-27.9174.3-160.5176.3-171.6167.36.7111E545 D730E545-R732 IonicContact OE1-CZ 2.8Å; E545-R732 IonicContact OE1-NH2 3.17Å; E545-R732 PolarHBondContact OE1-NH2 3.42Å; D730-R732 VanDerWaalsContact C-N 3.3Å; D730-R732 PolarHBondContact O-N 3.03Å; D730-R732 VanDerWaalsContact OD1-CB 3.32Å; D730-R732 WeakPolarHBondContact OD1-CB 3.36Å; D730-R732 PolarHBondContact OD1-N 3.44Å
733A66.2Low70.2Confident85 Ų8563.9 Ų63.970%0.70237%0.369SS*.G310 helixtrans-76-18.1176.300000114.3D730 F731 G735D730-A733 PolarHBondContact O-N 2.95Å; F731-A733 VanDerWaalsContact C-N 3.25Å; F731-A733 PolarHBondContact O-N 3.01Å; A733-G735 VanDerWaalsContact C-N 3.28Å; A733-G735 PolarHBondContact O-N 2.83Å
734I64.4Low70Confident87 Ų8764 Ų6445%0.44637%0.369SS..G310 helixtrans-82.3-6.6-178.7-60.1-177.6000111.9V729 F731 E736V729-I734 HydrophobicContact CG1-CD1 3.98Å; F731-I734 HydrophobicContact CD1-CD1 3.94Å; F731-I734 HydrophobicContact CE1-CD1 4.49Å; F731-I734 PolarHBondContact O-N 2.89Å; I734-E736 PolarHBondContact O-N 3.42Å; I734-E736 VanDerWaalsContact O-N 3.16Å
735G56.1Low70.1Confident72 Ų7265 Ų6574%0.74237%0.374SS*.SBendtrans79.2-13.2173.500000115.4A733A733-G735 VanDerWaalsContact C-N 3.28Å; A733-G735 PolarHBondContact O-N 2.83Å
736E57.6Low70Confident132 Ų13265.2 Ų65.262%0.61738%0.376SS*.  trans-95.4106.7178-67.4-170.1163.200112.2I734 G738 A739I734-E736 PolarHBondContact O-N 3.42Å; I734-E736 VanDerWaalsContact O-N 3.16Å; E736-G738 PolarHBondContact O-N 3.49Å; E736-A739 HydrophobicContact CB-CB 4.07Å; E736-A739 PolarHBondContact O-N 3.35Å
737S53.9Low69.8Low138 Ų13863.1 Ų63.197%0.96537%0.366SS*.THydrogen-bonded Turntrans-61.4-5.3178.655.10000115.3
738G63Low70Confident39 Ų3964.8 Ų64.840%0.40237%0.374SS..THydrogen-bonded Turntrans-106.6-12.4174.900000116.1E736 L740 F741 L742E736-G738 PolarHBondContact O-N 3.49Å; G738-L740 VanDerWaalsContact C-N 3.32Å; G738-L740 PolarHBondContact O-N 3.11Å; G738-F741 PolarHBondContact O-N 2.91Å; G738-F741 VanDerWaalsContact O-N 3.1Å; G738-L742 PolarHBondContact O-N 3.41Å
739A66.6Low70.1Confident10 Ų1065 Ų658%0.08338%0.382CS..Hα-helixtrans-60.6-40.2-171.700000112.8E736 F741 L742 Q743E736-A739 HydrophobicContact CB-CB 4.07Å; E736-A739 PolarHBondContact O-N 3.35Å; A739-F741 PolarHBondContact O-N 2.99Å; A739-L742 PolarHBondContact O-N 3.17Å; A739-Q743 PolarHBondContact O-N 2.93Å
740L69.5Low70.5Confident29 Ų2963 Ų6315%0.15237%0.369CS..Hα-helixtrans-54.9-47.7174.1174.7133.6000112.6Q704 F731 G738 L742 L744Q704-L740 HydrophobicContact CB-CD1 4.31Å; Q704-L740 HydrophobicContact CG-CD1 3.51Å; F731-L740 HydrophobicContact CB-CB 4.22Å; F731-L740 HydrophobicContact CD2-CB 4.25Å; F731-L740 HydrophobicContact CD2-CD1 4.4Å; F731-L740 HydrophobicContact CG-CB 4.49Å; G738-L740 VanDerWaalsContact C-N 3.32Å; G738-L740 PolarHBondContact O-N 3.11Å; L740-L742 VanDerWaalsContact C-N 3.29Å; L740-L742 PolarHBondContact O-N 2.87Å; L740-L744 HydrophobicContact CD1-CD1 4.35Å; L740-L744 HydrophobicContact CD2-CD1 4.23Å; L740-L744 HydrophobicContact CG-CD1 3.79Å; L740-L744 WeakPolarHBondContact O-CD1 3.48Å; L740-L744 PolarHBondContact O-N 3.34Å; L740-L744 VanDerWaalsContact O-N 3.1Å
741F70.3Confident71Confident103 Ų10362 Ų6245%0.45236%0.363SS..Hα-helixtrans-63.2-40-179.4176.6-97.3000111.1L477 G738 A739 L745L477-F741 HydrophobicContact CB-CD2 4.49Å; L477-F741 HydrophobicContact CD1-CD2 4.38Å; L477-F741 HydrophobicContact CD1-CE2 4.33Å; G738-F741 PolarHBondContact O-N 2.91Å; G738-F741 VanDerWaalsContact O-N 3.1Å; A739-F741 PolarHBondContact O-N 2.99Å; F741-L745 WeakPolarHBondContact O-CB 3.37Å; F741-L745 PolarHBondContact O-N 3.35Å; F741-L745 VanDerWaalsContact O-N 3.16Å
742L69Low71.3Confident123 Ų12363.9 Ų63.964%0.64438%0.375SS*.Hα-helixtrans-69.9-41.8-176.9-135.7134.1000112.1G738 A739 L740 L745G738-L742 PolarHBondContact O-N 3.41Å; A739-L742 PolarHBondContact O-N 3.17Å; L740-L742 VanDerWaalsContact C-N 3.29Å; L740-L742 PolarHBondContact O-N 2.87Å; L742-L745 WeakPolarHBondContact O-CB 3.47Å; L742-L745 PolarHBondContact O-N 3.23Å
743Q72Confident72.2Confident69 Ų6956.9 Ų56.932%0.32235%0.352SS..Hα-helixtrans-73.4-36.2178.2-65.1-158.619.600113.4F731 A739 L745 P747F731-Q743 HydrophobicContact CE1-CG 4.4Å; F731-Q743 HydrophobicContact CZ-CB 4.45Å; F731-Q743 HydrophobicContact CZ-CG 4.49Å; A739-Q743 PolarHBondContact O-N 2.93Å; Q743-L745 VanDerWaalsContact C-N 3.3Å; Q743-L745 PolarHBondContact O-N 3.24Å; Q743-P747 WeakPolarHBondContact O-CD 3.33Å
744L76.8Confident73.1Confident3 Ų352.8 Ų52.82%0.01632%0.318CS..Hα-helixtrans-71.4-22.7174.6-89.1122.1000113.4I697 L700 L740 A746 P747 I748I697-L744 HydrophobicContact CG2-CD2 4.05Å; L700-L744 HydrophobicContact CB-CG 4.5Å; L740-L744 HydrophobicContact CD1-CD1 4.35Å; L740-L744 HydrophobicContact CD2-CD1 4.23Å; L740-L744 HydrophobicContact CG-CD1 3.79Å; L740-L744 WeakPolarHBondContact O-CD1 3.48Å; L740-L744 PolarHBondContact O-N 3.34Å; L740-L744 VanDerWaalsContact O-N 3.1Å; L744-A746 PolarHBondContact O-N 2.76Å; L744-P747 WeakPolarHBondContact O-CD 3.2Å; L744-I748 HydrophobicContact CB-CD1 4.22Å; L744-I748 WeakPolarHBondContact O-CB 3.47Å; L744-I748 WeakPolarHBondContact O-CD1 3.47Å; L744-I748 WeakPolarHBondContact O-CG1 3.47Å; L744-I748 PolarHBondContact O-N 3.48Å; L744-I748 VanDerWaalsContact O-N 3.12Å
745L77.4Confident73.8Confident89 Ų8950.3 Ų50.347%0.46631%0.305SS..Hα-helixtrans-61.3-40.7-178.1-176.163.7000113.2F741 L742 Q743 I748 A749F741-L745 WeakPolarHBondContact O-CB 3.37Å; F741-L745 PolarHBondContact O-N 3.35Å; F741-L745 VanDerWaalsContact O-N 3.16Å; L742-L745 WeakPolarHBondContact O-CB 3.47Å; L742-L745 PolarHBondContact O-N 3.23Å; Q743-L745 VanDerWaalsContact C-N 3.3Å; Q743-L745 PolarHBondContact O-N 3.24Å; L745-I748 PolarHBondContact O-N 3.04Å; L745-A749 WeakPolarHBondContact O-CB 3.15Å; L745-A749 PolarHBondContact O-N 3.45Å
746A76.2Confident74.9Confident19 Ų1949.7 Ų49.716%0.15729%0.285CS..Hα-helixtrans-70-46.2-176.700000113.5V647 F651 L744 I748 A749 L750V647-A746 HydrophobicContact CG2-CB 4.49Å; F651-A746 HydrophobicContact CE2-CB 3.62Å; F651-A746 HydrophobicContact CZ-CB 3.57Å; L744-A746 PolarHBondContact O-N 2.76Å; A746-I748 VanDerWaalsContact C-N 3.34Å; A746-I748 PolarHBondContact O-N 2.91Å; A746-A749 PolarHBondContact O-N 3.31Å; A746-L750 PolarHBondContact O-N 3.22Å
747P79.5Confident76.2Confident16 Ų1643.5 Ų43.510%0.10426%0.255CS..Hα-helixtrans-58.3-40.1168.2-27.136000113.5V696 I697 Q743 L744 L750 F751V696-P747 HydrophobicContact CG1-CG 4.39Å; I697-P747 HydrophobicContact CD1-CB 4.28Å; I697-P747 HydrophobicContact CG1-CB 3.74Å; Q743-P747 WeakPolarHBondContact O-CD 3.33Å; L744-P747 WeakPolarHBondContact O-CD 3.2Å; P747-L750 PolarHBondContact O-N 3.45Å; P747-F751 WeakPolarHBondContact O-CB 3.36Å; P747-F751 PolarHBondContact O-N 2.88Å
748I80.2Confident77.5Confident38 Ų3838.6 Ų38.620%0.19522%0.218CC..Hα-helixtrans-64-42176.2-70.5167.8000111.1I697 L744 L745 A746 F751 V752I697-I748 HydrophobicContact CD1-CG1 3.94Å; I697-I748 HydrophobicContact CG1-CG1 4.29Å; L744-I748 HydrophobicContact CB-CD1 4.22Å; L744-I748 WeakPolarHBondContact O-CB 3.47Å; L744-I748 WeakPolarHBondContact O-CD1 3.47Å; L744-I748 WeakPolarHBondContact O-CG1 3.47Å; L744-I748 PolarHBondContact O-N 3.48Å; L744-I748 VanDerWaalsContact O-N 3.12Å; L745-I748 PolarHBondContact O-N 3.04Å; A746-I748 VanDerWaalsContact C-N 3.34Å; A746-I748 PolarHBondContact O-N 2.91Å; I748-F751 PolarHBondContact O-N 3.14Å; I748-V752 WeakPolarHBondContact O-CG2 3.49Å; I748-V752 PolarHBondContact O-N 2.9Å
749A81.8Confident78.1Confident44 Ų4440.8 Ų40.836%0.36422%0.217SC..Hα-helixtrans-64.1-44.3176.700000111.8L745 A746 V752 V753L745-A749 WeakPolarHBondContact O-CB 3.15Å; L745-A749 PolarHBondContact O-N 3.45Å; A746-A749 PolarHBondContact O-N 3.31Å; A749-V752 PolarHBondContact O-N 3.49Å; A749-V753 WeakPolarHBondContact O-CB 3.38Å; A749-V753 WeakPolarHBondContact O-CG2 3.35Å; A749-V753 PolarHBondContact O-N 3.39Å
750L85.8Confident78.5Confident0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-60.9-45.5175.2-176.959.4000111.1V643 V647 F660 L689 T693 A746 P747 V752 V753 T754V643-L750 HydrophobicContact CG1-CD1 3.98Å; V647-L750 HydrophobicContact CG1-CD2 4.41Å; F660-L750 HydrophobicContact CD1-CD2 4.47Å; F660-L750 HydrophobicContact CE1-CD2 3.84Å; F660-L750 HydrophobicContact CZ-CD2 4.16Å; L689-L750 HydrophobicContact CD1-CD2 4.33Å; L689-L750 HydrophobicContact CD2-CD1 4.44Å; T693-L750 HydrophobicContact CG2-CB 4.3Å; T693-L750 HydrophobicContact CG2-CD2 3.58Å; T693-L750 HydrophobicContact CG2-CG 3.83Å; A746-L750 PolarHBondContact O-N 3.22Å; P747-L750 PolarHBondContact O-N 3.45Å; L750-V752 PolarHBondContact O-N 3.45Å; L750-V753 PolarHBondContact O-N 3.49Å; L750-T754 HydrophobicContact CD1-CG2 4.04Å; L750-T754 HydrophobicContact CG-CG2 4.46Å; L750-T754 WeakPolarHBondContact O-CG2 3.28Å; L750-T754 PolarHBondContact O-N 2.88Å; L750-T754 PolarHBondContact O-OG1 3.15Å
751F85Confident79.1Confident23 Ų2346.9 Ų46.910%0.10124%0.24CC..Hα-helixtrans-57.8-44.5175.4173.7-95.2000112.8T690 I697 P747 I748 T754 M755T690-F751 HydrophobicContact CG2-CD2 3.74Å; T690-F751 HydrophobicContact CG2-CE2 3.9Å; I697-F751 HydrophobicContact CD1-CB 4.2Å; P747-F751 WeakPolarHBondContact O-CB 3.36Å; P747-F751 PolarHBondContact O-N 2.88Å; I748-F751 PolarHBondContact O-N 3.14Å; F751-T754 PolarHBondContact O-OG1 3.33Å; F751-M755 HydrophobicContact CE1-CG 4.42Å; F751-M755 HydrophobicContact CE2-CE 4.26Å; F751-M755 HydrophobicContact CE2-CG 4.36Å; F751-M755 HydrophobicContact CZ-CE 4.43Å; F751-M755 HydrophobicContact CZ-CG 4.22Å; F751-M755 VanDerWaalsContact O-CB 3.26Å; F751-M755 WeakPolarHBondContact O-CB 3.48Å; F751-M755 WeakPolarHBondContact O-CG 3.32Å; F751-M755 PolarHBondContact O-N 2.88Å
752V79.8Confident79.7Confident48 Ų4843.3 Ų43.329%0.29123%0.225SC..Hα-helixtrans-65.9-43.8177171.40000111.1I748 A749 L750 M755 L756I748-V752 WeakPolarHBondContact O-CG2 3.49Å; I748-V752 PolarHBondContact O-N 2.9Å; A749-V752 PolarHBondContact O-N 3.49Å; L750-V752 PolarHBondContact O-N 3.45Å; V752-M755 PolarHBondContact O-N 2.91Å; V752-L756 HydrophobicContact CG1-CD1 4.14Å; V752-L756 VanDerWaalsContact O-CG 3.31Å; V752-L756 WeakPolarHBondContact O-CG 3.27Å; V752-L756 PolarHBondContact O-N 3.3Å
753V84.7Confident80Confident27 Ų2739.4 Ų39.416%0.16421%0.214CC..Hα-helixtrans-66.6-43.3-179.1169.10000111.9F636 V640 A749 L750 L756 Q757F636-V753 HydrophobicContact CE1-CG1 4.07Å; F636-V753 HydrophobicContact CZ-CG1 4.26Å; V640-V753 HydrophobicContact CG1-CG1 4.47Å; V640-V753 HydrophobicContact CG2-CG1 4Å; A749-V753 WeakPolarHBondContact O-CB 3.38Å; A749-V753 WeakPolarHBondContact O-CG2 3.35Å; A749-V753 PolarHBondContact O-N 3.39Å; L750-V753 PolarHBondContact O-N 3.49Å; V753-L756 PolarHBondContact O-N 2.74Å; V753-Q757 PolarHBondContact O-N 2.87Å
754T85Confident80.3Confident0 Ų037.8 Ų37.80%021%0.21CC..Hα-helixtrans-68.4-36.4176.361.10000111.8V640 L689 T690 L750 F751 L756 Q757 L758V640-T754 HydrophobicContact CG1-CG2 4.07Å; L689-T754 HydrophobicContact CD2-CG2 3.76Å; L689-T754 HydrophobicContact CG-CG2 4.14Å; T690-T754 VanDerWaalsContact OG1-CB 3.23Å; T690-T754 WeakPolarHBondContact OG1-CB 3.41Å; T690-T754 PolarHBondContact OG1-OG1 3.11Å; L750-T754 HydrophobicContact CD1-CG2 4.04Å; L750-T754 HydrophobicContact CG-CG2 4.46Å; L750-T754 WeakPolarHBondContact O-CG2 3.28Å; L750-T754 PolarHBondContact O-N 2.88Å; L750-T754 PolarHBondContact O-OG1 3.15Å; F751-T754 PolarHBondContact O-OG1 3.33Å; T754-L756 PolarHBondContact O-N 2.68Å; T754-Q757 PolarHBondContact O-N 3.44Å; T754-L758 WeakPolarHBondContact O-CB 3.45Å; T754-L758 WeakPolarHBondContact O-CG 3.47Å; T754-L758 PolarHBondContact O-N 2.94Å
755M79.4Confident80.5Confident34 Ų3438.2 Ų38.217%0.16721%0.211CC..Hα-helixtrans-63.5-37.3172.5-84.2-74167.600112.9T690 F751 V752 L758 K759T690-M755 HydrophobicContact CG2-CE 3.59Å; T690-M755 HydrophobicContact CG2-CG 4.04Å; F751-M755 HydrophobicContact CE1-CG 4.42Å; F751-M755 HydrophobicContact CE2-CE 4.26Å; F751-M755 HydrophobicContact CE2-CG 4.36Å; F751-M755 HydrophobicContact CZ-CE 4.43Å; F751-M755 HydrophobicContact CZ-CG 4.22Å; F751-M755 VanDerWaalsContact O-CB 3.26Å; F751-M755 WeakPolarHBondContact O-CB 3.48Å; F751-M755 WeakPolarHBondContact O-CG 3.32Å; F751-M755 PolarHBondContact O-N 2.88Å; V752-M755 PolarHBondContact O-N 2.91Å; M755-L758 PolarHBondContact O-N 3.45Å; M755-K759 WeakPolarHBondContact O-CB 3.49Å; M755-K759 WeakPolarHBondContact O-CG 3.38Å; M755-K759 PolarHBondContact O-N 3.23Å
756L79.2Confident80.5Confident60 Ų6036.1 Ų36.131%0.31420%0.204SC..Hα-helixtrans-66.7-42.8173.2-71.3172000111.9F636 V752 V753 T754 L758 K759 F760 F761F636-L756 HydrophobicContact CE1-CB 4.38Å; F636-L756 HydrophobicContact CZ-CB 4.02Å; V752-L756 HydrophobicContact CG1-CD1 4.14Å; V752-L756 VanDerWaalsContact O-CG 3.31Å; V752-L756 WeakPolarHBondContact O-CG 3.27Å; V752-L756 PolarHBondContact O-N 3.3Å; V753-L756 PolarHBondContact O-N 2.74Å; T754-L756 PolarHBondContact O-N 2.68Å; L756-L758 VanDerWaalsContact C-N 3.35Å; L756-L758 PolarHBondContact O-N 3.48Å; L756-K759 PolarHBondContact O-N 2.97Å; L756-F760 HydrophobicContact CD2-CD2 3.66Å; L756-F760 HydrophobicContact CD2-CE2 3.67Å; L756-F760 PolarHBondContact O-N 2.95Å; L756-F761 HydrophobicContact CB-CE2 4.48Å
757Q84.4Confident80.5Confident1 Ų144.2 Ų44.21%0.00523%0.23CC..Iπ-helixtrans-58.2-45.7173.9173.866-12.200111.4F636 V640 W686 V753 T754 F761 H762F636-Q757 HydrophobicContact CD1-CB 3.92Å; F636-Q757 HydrophobicContact CE1-CB 3.89Å; V640-Q757 HydrophobicContact CG2-CB 3.99Å; V640-Q757 HydrophobicContact CG2-CG 4.12Å; W686-Q757 HydrophobicContact CD2-CG 4.44Å; W686-Q757 HydrophobicContact CG-CG 4.32Å; V753-Q757 PolarHBondContact O-N 2.87Å; T754-Q757 PolarHBondContact O-N 3.44Å; Q757-F761 PolarHBondContact O-N 3.35Å; Q757-H762 WeakPolarHBondContact O-CB 3.49Å; Q757-H762 PolarHBondContact O-N 3.41Å
758L81.4Confident80Confident35 Ų3546.5 Ų46.518%0.18325%0.251CS..Iπ-helixtrans-67.9-46.5178.6-75.8167.3000112.9Y683 W686 T754 M755 L756Y683-L758 HydrophobicContact CD2-CD2 4.24Å; Y683-L758 HydrophobicContact CE2-CD2 3.98Å; W686-L758 HydrophobicContact CB-CD2 3.97Å; W686-L758 HydrophobicContact CB-CG 4.2Å; T754-L758 WeakPolarHBondContact O-CB 3.45Å; T754-L758 WeakPolarHBondContact O-CG 3.47Å; T754-L758 PolarHBondContact O-N 2.94Å; M755-L758 PolarHBondContact O-N 3.45Å; L756-L758 VanDerWaalsContact C-N 3.35Å; L756-L758 PolarHBondContact O-N 3.48Å
759K75.9Confident79.6Confident85 Ų8546.5 Ų46.537%0.3725%0.252SS..Iπ-helixtrans-78.2-34.3-174.5-71.9-169.9179.7-173.20114.4W495 F497 M755 L756W495-K759 PolarHBondContact O-NZ 2.98Å; F497-K759 PolarHBondContact O-NZ 3.46Å; M755-K759 WeakPolarHBondContact O-CB 3.49Å; M755-K759 WeakPolarHBondContact O-CG 3.38Å; M755-K759 PolarHBondContact O-N 3.23Å; L756-K759 PolarHBondContact O-N 2.97Å
760F75.5Confident78.9Confident133 Ų13346.4 Ų46.458%0.58325%0.249SC*.Iπ-helixtrans-118.1-34.8-170.5-61.3-65000115.3L756L756-F760 HydrophobicContact CD2-CD2 3.66Å; L756-F760 HydrophobicContact CD2-CE2 3.67Å; L756-F760 PolarHBondContact O-N 2.95Å
761F81Confident77.6Confident34 Ų3450.5 Ų50.515%0.14928%0.275CS..Iπ-helixtrans-112.9-22.6-162.6-57.4-54.8000116.5V632 F636 L756 Q757 G763 P764 W765V632-F761 HydrophobicContact CG1-CE1 3.84Å; V632-F761 HydrophobicContact CG1-CZ 3.85Å; F636-F761 HydrophobicContact CB-CB 4.23Å; F636-F761 HydrophobicContact CB-CD2 4.07Å; F636-F761 HydrophobicContact CB-CG 4.19Å; F636-F761 AromaticContact CD1-CD2 3.7Å; F636-F761 HydrophobicContact CD1-CD2 3.7Å; F636-F761 HydrophobicContact CD1-CE2 4.34Å; F636-F761 HydrophobicContact CD1-CG 4.49Å; F636-F761 AromaticContact CD2-CD2 3.56Å; F636-F761 HydrophobicContact CD2-CD2 3.56Å; F636-F761 AromaticContact CD2-CE2 3.48Å; F636-F761 HydrophobicContact CD2-CE2 3.48Å; F636-F761 VanDerWaalsContact CD2-CE2 3.48Å; F636-F761 HydrophobicContact CD2-CG 4.38Å; F636-F761 HydrophobicContact CD2-CZ 4.25Å; F636-F761 AromaticContact CE1-CD2 3.94Å; F636-F761 HydrophobicContact CE1-CD2 3.94Å; F636-F761 HydrophobicContact CE1-CE2 4.31Å; F636-F761 AromaticContact CE2-CD2 3.82Å; F636-F761 HydrophobicContact CE2-CD2 3.82Å; F636-F761 AromaticContact CE2-CE2 3.45Å; F636-F761 HydrophobicContact CE2-CE2 3.45Å; F636-F761 VanDerWaalsContact CE2-CE2 3.45Å; F636-F761 HydrophobicContact CE2-CZ 4.38Å; F636-F761 HydrophobicContact CG-CB 4.44Å; F636-F761 AromaticContact CG-CD2 3.48Å; F636-F761 HydrophobicContact CG-CD2 3.48Å; F636-F761 VanDerWaalsContact CG-CD2 3.48Å; F636-F761 AromaticContact CG-CE2 3.95Å; F636-F761 HydrophobicContact CG-CE2 3.95Å; F636-F761 HydrophobicContact CG-CG 4.11Å; F636-F761 HydrophobicContact CZ-CD2 4Å; F636-F761 AromaticContact CZ-CE2 3.88Å; F636-F761 HydrophobicContact CZ-CE2 3.88Å; L756-F761 HydrophobicContact CB-CE2 4.48Å; Q757-F761 PolarHBondContact O-N 3.35Å; F761-G763 PolarHBondContact O-N 2.97Å; F761-P764 WeakPolarHBondContact O-CD 3.44Å; F761-W765 PolarHBondContact O-N 3.47Å
762H82.6Confident76.1Confident29 Ų2961 Ų6113%0.13431%0.314CS..Hα-helixtrans-61.2-43.9-179-178.180.1000113.6Y683 Q757 W765 S766Y683-H762 AromaticContact CD2-CD2 3.74Å; Y683-H762 AromaticContact CD2-NE2 3.66Å; Q757-H762 WeakPolarHBondContact O-CB 3.49Å; Q757-H762 PolarHBondContact O-N 3.41Å; H762-W765 PolarHBondContact O-N 3.19Å; H762-S766 PolarHBondContact O-N 2.7Å; H762-S766 VanDerWaalsContact O-N 3.09Å
763G75.5Confident74.5Confident40 Ų4069.5 Ų69.541%0.41234%0.341SS..Hα-helixtrans-63.7-41.3-178.200000114.9F761 R767F761-G763 PolarHBondContact O-N 2.97Å; G763-R767 PolarHBondContact O-NE 2.89Å; G763-R767 VanDerWaalsContact O-NE 3.16Å
764P78.2Confident72.3Confident35 Ų3573.2 Ų73.223%0.22738%0.375CS..Hα-helixtrans-61.7-48.8167-28.735.5000114.4S633 F761 S766 R767 A768S633-P764 WeakPolarHBondContact OG-CB 3.44Å; F761-P764 WeakPolarHBondContact O-CD 3.44Å; P764-S766 PolarHBondContact O-N 3.3Å; P764-R767 PolarHBondContact O-N 3.05Å; P764-R767 VanDerWaalsContact O-N 3.15Å; P764-A768 PolarHBondContact O-N 3.41Å; P764-A768 VanDerWaalsContact O-N 3.13Å
765W82.5Confident70Confident13 Ų1381.6 Ų81.65%0.04941%0.414CS..Hα-helixtrans-60.4-41.4-176.4174.988.6000113.4I637 Y678 R679 A682 F761 H762 R767 A768 T769I637-W765 HydrophobicContact CD1-CD2 4.26Å; I637-W765 HydrophobicContact CD1-CH2 4.09Å; I637-W765 HydrophobicContact CD1-CZ2 3.49Å; I637-W765 VanDerWaalsContact CD1-CZ2 3.49Å; Y678-W765 HydrophobicContact CE1-CH2 4.32Å; Y678-W765 HydrophobicContact CE1-CZ2 4.15Å; R679-W765 HydrophobicContact CG-CH2 4.39Å; R679-W765 HydrophobicContact CG-CZ3 4.44Å; A682-W765 HydrophobicContact CB-CH2 4.21Å; A682-W765 HydrophobicContact CB-CZ3 4.04Å; F761-W765 PolarHBondContact O-N 3.47Å; H762-W765 PolarHBondContact O-N 3.19Å; W765-R767 VanDerWaalsContact C-N 3.28Å; W765-R767 PolarHBondContact O-N 2.96Å; W765-A768 PolarHBondContact O-N 3.24Å; W765-A768 VanDerWaalsContact O-N 3.16Å; W765-T769 HydrophobicContact CZ2-CG2 4.31Å; W765-T769 PolarHBondContact O-N 3.09Å; W765-T769 PolarHBondContact O-OG1 3.4Å
766S77.7Confident67.8Low44 Ų4487 Ų8731%0.30844%0.444SS..Hα-helixtrans-62.5-34.1178-175.50000112.6H762 P764H762-S766 PolarHBondContact O-N 2.7Å; H762-S766 VanDerWaalsContact O-N 3.09Å; P764-S766 PolarHBondContact O-N 3.3Å
767R74.2Confident65.6Low190 Ų19091.8 Ų91.872%0.71747%0.47SS*.Hα-helixtrans-76.5-26.5175.3-72.2-177.2-72.1159.4-2.9113.6G763 P764 W765 S770G763-R767 PolarHBondContact O-NE 2.89Å; G763-R767 VanDerWaalsContact O-NE 3.16Å; P764-R767 PolarHBondContact O-N 3.05Å; P764-R767 VanDerWaalsContact O-N 3.15Å; W765-R767 VanDerWaalsContact C-N 3.28Å; W765-R767 PolarHBondContact O-N 2.96Å; R767-S770 PolarHBondContact O-OG 2.87Å
768A70Confident63Low64 Ų6495.5 Ų95.553%0.52949%0.494SS..Hα-helixtrans-79.5-21.9178.500000113.7V634 P764 W765V634-A768 HydrophobicContact CG2-CB 4.15Å; P764-A768 PolarHBondContact O-N 3.41Å; P764-A768 VanDerWaalsContact O-N 3.13Å; W765-A768 PolarHBondContact O-N 3.24Å; W765-A768 VanDerWaalsContact O-N 3.16Å
769T71Confident60.8Low37 Ų37100.4 Ų100.423%0.22753%0.528CS..SBendtrans-107.90.9-174.554.70000114.1W765W765-T769 HydrophobicContact CZ2-CG2 4.31Å; W765-T769 PolarHBondContact O-N 3.09Å; W765-T769 PolarHBondContact O-OG1 3.4Å
770S67.1Low58.6Low43 Ų43101.8 Ų101.830%0.30154%0.543SS..SBendtrans-76.3135.4175.560.50000111.2R679 R767 R772R679-S770 VanDerWaalsContact NH1-CB 3.33Å; R767-S770 PolarHBondContact O-OG 2.87Å; S770-R772 PolarHBondContact O-N 3.24Å
771P58.7Low56.7Low85 Ų85100.3 Ų100.355%0.55255%0.549SS*.  trans-64.5113.1163.827.5-31.2000107R773P771-R773 PolarHBondContact O-N 2.87Å
772R54.9Low54.4Low243 Ų243104 Ų10492%0.91758%0.575SS**  trans-58.7104169.7-86.9-179.1163.5172.9-7.5107.8S770S770-R772 PolarHBondContact O-N 3.24Å
773R46.1Very low52Low227 Ų227108.2 Ų108.286%0.85760%0.603SS**  trans-58142.8157.4-92-177.7173.7151.3-2.5107.1P771 E775P771-R773 PolarHBondContact O-N 2.87Å; R773-E775 VanDerWaalsContact C-N 3.29Å; R773-E775 PolarHBondContact O-N 2.95Å
774A37.8Very low49.7Very low105 Ų105114.9 Ų114.987%0.86862%0.623SS**  trans-66.193.9171.300000107.9
775E37.1Very low47.5Very low177 Ų177118.5 Ų118.583%0.82766%0.656SS**  trans-118.9120.4174.9-167.6154-150.800108R773 D777R773-E775 VanDerWaalsContact C-N 3.29Å; R773-E775 PolarHBondContact O-N 2.95Å; E775-D777 PolarHBondContact O-N 3.1Å
776N33.3Very low44.9Very low148 Ų148122.5 Ų122.579%0.79169%0.692SS**  trans-71.1109.4-167.7-57.8-50.4000110.9
777D31.7Very low42.5Very low160 Ų160125.2 Ų125.286%0.85672%0.717SS**  trans-141.995151.7-106.7-25.6000107.9E775E775-D777 PolarHBondContact O-N 3.1Å
778P30.5Very low40.2Very low78 Ų78123 Ų12351%0.50672%0.724SS.*  trans-81.61551780.317.8000110.2T780P778-T780 HydrophobicContact CB-CG2 4.43Å; P778-T780 VanDerWaalsContact CB-OG1 3.27Å; P778-T780 WeakPolarHBondContact CB-OG1 3.28Å; P778-T780 WeakPolarHBondContact CD-OG1 3.4Å; P778-T780 HydrophobicContact CG-CG2 4.41Å; P778-T780 WeakPolarHBondContact CG-OG1 3.27Å; P778-T780 PolarHBondContact O-N 2.95Å; P778-T780 PolarHBondContact O-OG1 2.91Å
779P35.5Very low38.3Very low139 Ų139123.5 Ų123.590%0.90373%0.729SS**  trans-68.472150.531.9-31.9000108.3S781P779-S781 PolarHBondContact O-N 3.25Å
780T30.8Very low36.3Very low114 Ų114126.8 Ų126.870%0.69975%0.753SS**  trans-81.696.7-178.3-16.20000109.8P778P778-T780 HydrophobicContact CB-CG2 4.43Å; P778-T780 VanDerWaalsContact CB-OG1 3.27Å; P778-T780 WeakPolarHBondContact CB-OG1 3.28Å; P778-T780 WeakPolarHBondContact CD-OG1 3.4Å; P778-T780 HydrophobicContact CG-CG2 4.41Å; P778-T780 WeakPolarHBondContact CG-OG1 3.27Å; P778-T780 PolarHBondContact O-N 2.95Å; P778-T780 PolarHBondContact O-OG1 2.91Å
781S34.2Very low34.5Very low101 Ų101130.8 Ų130.871%0.70678%0.776SS**  trans-155.3119.9140.834.10000110.8P779P779-S781 PolarHBondContact O-N 3.25Å
782T34Very low32.9Very low113 Ų113132.9 Ų132.969%0.69379%0.793SS**  trans63.597160.351.20000117.3
783T31.2Very low31.6Very low116 Ų116124.8 Ų124.871%0.71278%0.784SS**  66.2125.68755.30000113
784E28.3Very low31.1Very low181 Ų181120.5 Ų120.585%0.84678%0.784SS**  cis-156.3134.17.7-95.2150.1-167.500108.4
785A30.1Very low30.7Very low111 Ų111124.7 Ų124.792%0.91779%0.785SS**  trans-169.770.8165.400000112.2
786A29.5Very low30.2Very low96 Ų96120.1 Ų120.179%0.79379%0.786SS**  trans-103133.2163.500000109.8
787A26.9Very low30Very low102 Ų102125 Ų12584%0.84379%0.793SS**SBendtrans59.375.2158.700000119.8
788V26.6Very low30Very low142 Ų142121.3 Ų121.386%0.86179%0.785SS**  trans-146.2150.3149.4-169.60000109.8
789A28.3Very low30.1Very low76 Ų76126.9 Ų126.963%0.62880%0.804SS**  trans64.512416900000116.9
790S29.2Very low30Very low105 Ų105125.2 Ų125.273%0.73480%0.802SS**  cis50.1109.113.5560000117
791T29.9Very low30.4Very low128 Ų128124.8 Ų124.879%0.78581%0.81SS**  trans67.7135.7158.413.70000119.1
792S26.1Very low30.6Very low129 Ų129123.1 Ų123.190%0.90281%0.809SS**  trans64.1149.4175.975.60000116.1
793G27.1Very low31.1Very low72 Ų72122 Ų12274%0.74280%0.798SS**  cis-164168.4-3.600000112.2
794T35.5Very low32.3Very low138 Ų138120.6 Ų120.685%0.84779%0.79SS**  trans-56.7129.4170.436.70000113.5
795Q28.3Very low33Very low192 Ų192118.3 Ų118.390%0.89778%0.783SS**  trans159.6140.4131.5-89.2174.42.600112
796G28.3Very low34.1Very low81 Ų81118.3 Ų118.384%0.83577%0.771SS**  trans75.1152.9176.500000114.8
797R29.1Very low35.5Very low250 Ų250119.4 Ų119.494%0.94376%0.758SS**  cis-150.7158.7-8.1-161.2168.2-176.6138.6-3.2107.9
798A30.3Very low37.1Very low84 Ų84121.7 Ų121.769%0.69475%0.749SS**  trans-55.2141.9179.600000112.4
799H33.3Very low39Very low194 Ų194120.1 Ų120.190%0.89874%0.735SS**  trans162.9-5.4156.5-88-52.3000113.3A801H799-A801 VanDerWaalsContact C-N 3.29Å; H799-A801 PolarHBondContact O-N 2.84Å; H799-A801 VanDerWaalsContact O-N 3.14Å
800A33.8Very low40.8Very low105 Ų105122 Ų12287%0.86873%0.731SS**THydrogen-bonded Turntrans-79.414.4-173.400000116.9
801A38.9Very low43Very low105 Ų105123.7 Ų123.787%0.86873%0.725SS**THydrogen-bonded Turntrans-85.3-16-171.700000115.3H799 D803H799-A801 VanDerWaalsContact C-N 3.29Å; H799-A801 PolarHBondContact O-N 2.84Å; H799-A801 VanDerWaalsContact O-N 3.14Å; A801-D803 PolarHBondContact O-N 3.16Å
802G38.5Very low44.9Very low66 Ų66122.6 Ų122.668%0.6871%0.714SS**  trans-83.111.6-16900000117.6T804G802-T804 PolarHBondContact O-N 2.93Å
803D45Very low47Very low88 Ų88118 Ų11847%0.47168%0.683SS.*  trans-79.184.8-175.2-108.914.1000112.3A801 K807A801-D803 PolarHBondContact O-N 3.16Å; D803-K807 WeakPolarHBondContact OD1-CD 3.3Å; D803-K807 WeakPolarHBondContact OD1-CE 3.47Å; D803-K807 IonicContact OD1-NZ 2.85Å; D803-K807 PolarHBondContact OD1-NZ 3.38Å
804T54.7Low49.2Very low88 Ų88118.2 Ų118.254%0.5467%0.667SS.*  trans-39.6142.4177.953.80000114.1G802 V806 K807G802-T804 PolarHBondContact O-N 2.93Å; T804-V806 PolarHBondContact O-N 3.18Å; T804-K807 WeakPolarHBondContact O-CB 3.32Å; T804-K807 PolarHBondContact O-N 3.32Å
805L44.3Very low51.2Low133 Ų133117.6 Ų117.670%0.69666%0.655SS**Hα-helixtrans-49.9-33.1-176.7-169.9146.9000113.2K807 K808 L809L805-K807 PolarHBondContact O-N 3.39Å; L805-K808 PolarHBondContact O-N 3.48Å; L805-L809 HydrophobicContact CD2-CD1 3.76Å; L805-L809 WeakPolarHBondContact O-CB 3.3Å; L805-L809 PolarHBondContact O-N 2.99Å
806V52.1Low53.4Low110 Ų110111.8 Ų111.867%0.66763%0.633SS**Hα-helixtrans-59.1-40.6174.1-176.60000113.1T804 L809 H810T804-V806 PolarHBondContact O-N 3.18Å; V806-L809 PolarHBondContact O-N 3.45Å; V806-H810 WeakPolarHBondContact O-CB 3.27Å; V806-H810 PolarHBondContact O-N 3.48Å
807K60.5Low55.9Low119 Ų119111.5 Ų111.552%0.51761%0.611SS.*Hα-helixtrans-64.9-42.9174.8-86.3-175.2178.6-1770111.7D803 T804 L805 H810 K811D803-K807 WeakPolarHBondContact OD1-CD 3.3Å; D803-K807 WeakPolarHBondContact OD1-CE 3.47Å; D803-K807 IonicContact OD1-NZ 2.85Å; D803-K807 PolarHBondContact OD1-NZ 3.38Å; T804-K807 WeakPolarHBondContact O-CB 3.32Å; T804-K807 PolarHBondContact O-N 3.32Å; L805-K807 PolarHBondContact O-N 3.39Å; K807-H810 PolarHBondContact O-N 3.17Å; K807-K811 WeakPolarHBondContact O-CB 3.37Å; K807-K811 PolarHBondContact O-N 3.38Å
808K60.2Low58.3Low151 Ų151101.3 Ų101.366%0.65757%0.574SS**Hα-helixtrans-63-44.2175.5-79.1-179.2178.3171.40111L805 K811 L812L805-K808 PolarHBondContact O-N 3.48Å; K808-K811 PolarHBondContact O-N 3.42Å; K808-L812 VanDerWaalsContact O-CB 3.28Å; K808-L812 WeakPolarHBondContact O-CB 3.41Å; K808-L812 PolarHBondContact O-N 2.79Å
809L64.8Low60.7Low108 Ų108100.4 Ų100.457%0.56556%0.558SS**Hα-helixtrans-67.8-37.5179.4-141.3151.7000111.7L805 V806 A813L805-L809 HydrophobicContact CD2-CD1 3.76Å; L805-L809 WeakPolarHBondContact O-CB 3.3Å; L805-L809 PolarHBondContact O-N 2.99Å; V806-L809 PolarHBondContact O-N 3.45Å; L809-A813 WeakPolarHBondContact O-CB 3.43Å; L809-A813 PolarHBondContact O-N 2.97Å
810H68.1Low63.1Low116 Ų11695.5 Ų95.554%0.53754%0.538SS..Hα-helixtrans-68.5-39.6172.6-176.6-95.6000112.7V806 K807 N814V806-H810 WeakPolarHBondContact O-CB 3.27Å; V806-H810 PolarHBondContact O-N 3.48Å; K807-H810 PolarHBondContact O-N 3.17Å; H810-N814 PolarHBondContact CE1-ND2 3.08Å; H810-N814 VanDerWaalsContact CE1-ND2 3.28Å; H810-N814 WeakPolarHBondContact O-CB 3.36Å; H810-N814 VanDerWaalsContact O-CG 3.3Å; H810-N814 PolarHBondContact O-N 2.98Å
811K73.6Confident65.5Low141 Ų14192.7 Ų92.761%0.61350%0.504SS*.Hα-helixtrans-65.5-43.1174.4-170.8176.3-175.8177.10111.2K807 K808 N814 Q815K807-K811 WeakPolarHBondContact O-CB 3.37Å; K807-K811 PolarHBondContact O-N 3.38Å; K808-K811 PolarHBondContact O-N 3.42Å; K811-N814 PolarHBondContact O-N 2.86Å; K811-Q815 WeakPolarHBondContact O-CB 3.5Å; K811-Q815 WeakPolarHBondContact O-CG 3.46Å; K811-Q815 PolarHBondContact O-N 3.04Å
812L70.3Confident67.6Low105 Ų10591.8 Ų91.855%0.5548%0.479SS..Hα-helixtrans-65.8-45.1176-168.5153000110.8K808 N814 Q815 T816K808-L812 VanDerWaalsContact O-CB 3.28Å; K808-L812 WeakPolarHBondContact O-CB 3.41Å; K808-L812 PolarHBondContact O-N 2.79Å; L812-N814 PolarHBondContact O-N 2.87Å; L812-Q815 PolarHBondContact O-N 3.23Å; L812-T816 HydrophobicContact CD2-CG2 3.95Å; L812-T816 PolarHBondContact O-N 2.62Å; L812-T816 PolarHBondContact O-OG1 3.05Å
813A69.5Low69.8Low32 Ų3293.1 Ų93.126%0.26447%0.466SS..Hα-helixtrans-57.2-47.4174.500000111.8L809 Q815 T816 I817L809-A813 WeakPolarHBondContact O-CB 3.43Å; L809-A813 PolarHBondContact O-N 2.97Å; A813-Q815 PolarHBondContact O-N 3.05Å; A813-T816 WeakPolarHBondContact CA-OG1 3.46Å; A813-T816 PolarHBondContact O-N 2.69Å; A813-T816 PolarHBondContact O-OG1 3.33Å; A813-I817 VanDerWaalsContact O-CB 3.31Å; A813-I817 WeakPolarHBondContact O-CB 3.35Å; A813-I817 WeakPolarHBondContact O-CD1 3.41Å; A813-I817 WeakPolarHBondContact O-CG1 3.41Å; A813-I817 PolarHBondContact O-N 3.29Å
814N75.2Confident71.7Confident76 Ų7691.4 Ų91.441%0.40645%0.454SS..Hα-helixtrans-63.4-40.2176.4-73.5-9.3000112.2H810 K811 L812 I817 E818H810-N814 PolarHBondContact CE1-ND2 3.08Å; H810-N814 VanDerWaalsContact CE1-ND2 3.28Å; H810-N814 WeakPolarHBondContact O-CB 3.36Å; H810-N814 VanDerWaalsContact O-CG 3.3Å; H810-N814 PolarHBondContact O-N 2.98Å; K811-N814 PolarHBondContact O-N 2.86Å; L812-N814 PolarHBondContact O-N 2.87Å; N814-I817 PolarHBondContact O-N 3.2Å; N814-E818 PolarHBondContact O-N 3.46Å
815Q76.3Confident73.1Confident125 Ų12588.6 Ų88.658%0.58444%0.435SS*.Hα-helixtrans-65.5-41175-75.7178.4-28.700112.5K811 L812 A813 L819K811-Q815 WeakPolarHBondContact O-CB 3.5Å; K811-Q815 WeakPolarHBondContact O-CG 3.46Å; K811-Q815 PolarHBondContact O-N 3.04Å; L812-Q815 PolarHBondContact O-N 3.23Å; A813-Q815 PolarHBondContact O-N 3.05Å; Q815-L819 WeakPolarHBondContact O-CB 3.41Å; Q815-L819 PolarHBondContact O-N 3.06Å
816T75.5Confident74.8Confident71 Ų7184.1 Ų84.144%0.43641%0.413SS..Hα-helixtrans-70.5-35.5175.8480000112.4L812 A813 L819 L820L812-T816 HydrophobicContact CD2-CG2 3.95Å; L812-T816 PolarHBondContact O-N 2.62Å; L812-T816 PolarHBondContact O-OG1 3.05Å; A813-T816 WeakPolarHBondContact CA-OG1 3.46Å; A813-T816 PolarHBondContact O-N 2.69Å; A813-T816 PolarHBondContact O-OG1 3.33Å; T816-L819 PolarHBondContact O-N 3.01Å; T816-L820 WeakPolarHBondContact O-CB 3.42Å; T816-L820 PolarHBondContact O-N 2.93Å
817I79.4Confident76.5Confident74 Ų7481.6 Ų81.638%0.37939%0.394SS..Hα-helixtrans-63.4-48.7174-73.2164.1000109.5A813 N814 L819 L820 W821A813-I817 VanDerWaalsContact O-CB 3.31Å; A813-I817 WeakPolarHBondContact O-CB 3.35Å; A813-I817 WeakPolarHBondContact O-CD1 3.41Å; A813-I817 WeakPolarHBondContact O-CG1 3.41Å; A813-I817 PolarHBondContact O-N 3.29Å; N814-I817 PolarHBondContact O-N 3.2Å; I817-L819 PolarHBondContact O-N 3.44Å; I817-L820 PolarHBondContact O-N 3.08Å; I817-W821 PolarHBondContact O-N 2.76Å
818E80.7Confident77.6Confident37 Ų3776.5 Ų76.517%0.17337%0.372CS..Hα-helixtrans-65.7-36.1176.6-67.4-52.1152.900113N814 L820 W821 R822 R952N814-E818 PolarHBondContact O-N 3.46Å; E818-L820 VanDerWaalsContact C-N 3.34Å; E818-W821 PolarHBondContact O-N 3.3Å; E818-R822 WeakPolarHBondContact O-CG 3.32Å; E818-R822 PolarHBondContact O-N 3.23Å; E818-R952 IonicContact OE1-CZ 2.69Å; E818-R952 IonicContact OE1-NH1 3.69Å; E818-R952 PolarHBondContact OE1-NH1 3.02Å; E818-R952 IonicContact OE1-NH2 3.98Å; E818-R952 PolarHBondContact OE1-NH2 3.48Å; E818-R952 IonicContact OE2-CZ 2.75Å; E818-R952 IonicContact OE2-NH1 2.83Å; E818-R952 PolarHBondContact OE2-NH1 3.12Å; E818-R952 IonicContact OE2-NH2 2.84Å
819L80.1Confident78.7Confident65 Ų6570.7 Ų70.734%0.3435%0.351SS..Hα-helixtrans-61.7-42.6172.9-176.366000111.7Q815 T816 I817 R822 F823 V970 F971Q815-L819 WeakPolarHBondContact O-CB 3.41Å; Q815-L819 PolarHBondContact O-N 3.06Å; T816-L819 PolarHBondContact O-N 3.01Å; I817-L819 PolarHBondContact O-N 3.44Å; L819-R822 PolarHBondContact O-N 2.86Å; L819-F823 WeakPolarHBondContact O-CB 3.45Å; L819-F823 PolarHBondContact O-N 3.45Å; L819-V970 HydrophobicContact CD1-CG1 3.67Å; L819-F971 HydrophobicContact CD1-CD1 4.23Å; L819-F971 HydrophobicContact CD1-CE1 3.53Å; L819-F971 HydrophobicContact CD1-CZ 3.89Å; L819-F971 HydrophobicContact CD2-CE1 4.29Å; L819-F971 HydrophobicContact CD2-CZ 4.4Å
820L82.9Confident79.7Confident91 Ų9169.4 Ų69.448%0.47634%0.34SS..Hα-helixtrans-66.9-38.3177.9176.7135.8000111.9T816 I817 E818 F823 F824T816-L820 WeakPolarHBondContact O-CB 3.42Å; T816-L820 PolarHBondContact O-N 2.93Å; I817-L820 PolarHBondContact O-N 3.08Å; E818-L820 VanDerWaalsContact C-N 3.34Å; L820-F823 PolarHBondContact O-N 3.22Å; L820-F824 HydrophobicContact CD2-CD2 3.87Å; L820-F824 HydrophobicContact CD2-CE2 3.63Å; L820-F824 HydrophobicContact CG-CD2 4.14Å; L820-F824 HydrophobicContact CG-CE2 3.92Å; L820-F824 VanDerWaalsContact O-CD2 3.31Å; L820-F824 WeakPolarHBondContact O-CD2 3.24Å; L820-F824 PolarHBondContact O-N 2.89Å
821W86Confident80.6Confident45 Ų4566.7 Ų66.717%0.1733%0.329CS..Hα-helixtrans-69-33.2171.5-69.1109000113.2I817 E818 E825 F945 V949 R952I817-W821 PolarHBondContact O-N 2.76Å; E818-W821 PolarHBondContact O-N 3.3Å; W821-E825 PolarHBondContact O-N 3.5Å; W821-F945 HydrophobicContact CH2-CE2 4.36Å; W821-F945 HydrophobicContact CZ3-CE2 4.4Å; W821-F945 HydrophobicContact CZ3-CZ 4.28Å; W821-V949 HydrophobicContact CE3-CB 4.48Å; W821-V949 HydrophobicContact CE3-CG1 4.4Å; W821-V949 HydrophobicContact CE3-CG2 4.09Å; W821-V949 HydrophobicContact CZ3-CB 4.31Å; W821-V949 HydrophobicContact CZ3-CG2 3.72Å; W821-R952 VanDerWaalsContact CD1-NH1 3.31Å; W821-R952 VanDerWaalsContact CD2-CD 3.49Å; W821-R952 VanDerWaalsContact CE2-CD 3.44Å
822R81.9Confident81.3Confident87 Ų8760 Ų6033%0.32830%0.301SS..Hα-helixtrans-67.1-42171.9-73.5177-176-1690.5111.7E818 L819 E825 V826E818-R822 WeakPolarHBondContact O-CG 3.32Å; E818-R822 PolarHBondContact O-N 3.23Å; L819-R822 PolarHBondContact O-N 2.86Å; R822-E825 WeakPolarHBondContact O-CB 3.4Å; R822-E825 PolarHBondContact O-N 3.24Å; R822-V826 PolarHBondContact O-N 2.98Å; R822-V826 VanDerWaalsContact O-N 3.17Å
823F85.2Confident82.2Confident93 Ų9356.3 Ų56.341%0.40828%0.28SS..Hα-helixtrans-60.3-47.2173.9179.1-95.3000111.2L819 L820 E825 V826 H827L819-F823 WeakPolarHBondContact O-CB 3.45Å; L819-F823 PolarHBondContact O-N 3.45Å; L820-F823 PolarHBondContact O-N 3.22Å; F823-E825 VanDerWaalsContact C-N 3.32Å; F823-E825 PolarHBondContact O-N 3.34Å; F823-V826 PolarHBondContact O-N 3.45Å; F823-H827 AromaticContact CD2-CD2 3.7Å; F823-H827 AromaticContact CE2-CD2 3.5Å; F823-H827 VanDerWaalsContact CE2-CD2 3.5Å; F823-H827 WeakPolarHBondContact CE2-CD2 3.38Å; F823-H827 AromaticContact CE2-NE2 3.72Å; F823-H827 AromaticContact CZ-CD2 3.91Å; F823-H827 PolarHBondContact O-CD2 3.07Å; F823-H827 PolarHBondContact O-N 3.38Å
824F85.3Confident83.2Confident53 Ų5356.3 Ų56.323%0.23228%0.277CS..Hα-helixtrans-60.4-39.8172.9-79.8-50.7000112.2L820 V826 H827 I828 I831 F945 V949L820-F824 HydrophobicContact CD2-CD2 3.87Å; L820-F824 HydrophobicContact CD2-CE2 3.63Å; L820-F824 HydrophobicContact CG-CD2 4.14Å; L820-F824 HydrophobicContact CG-CE2 3.92Å; L820-F824 VanDerWaalsContact O-CD2 3.31Å; L820-F824 WeakPolarHBondContact O-CD2 3.24Å; L820-F824 PolarHBondContact O-N 2.89Å; F824-V826 VanDerWaalsContact C-N 3.29Å; F824-V826 PolarHBondContact O-N 3.49Å; F824-H827 PolarHBondContact O-N 2.94Å; F824-I828 HydrophobicContact CD1-CD1 4.48Å; F824-I828 WeakPolarHBondContact O-CA 3.15Å; F824-I828 WeakPolarHBondContact O-CB 3.44Å; F824-I828 WeakPolarHBondContact O-CG2 3.5Å; F824-I828 PolarHBondContact O-N 3.41Å; F824-I831 HydrophobicContact CD1-CD1 4.26Å; F824-I831 HydrophobicContact CE1-CD1 4.32Å; F824-F945 HydrophobicContact CD1-CE1 4.45Å; F824-F945 HydrophobicContact CD2-CE1 4.42Å; F824-F945 HydrophobicContact CD2-CZ 4.42Å; F824-F945 HydrophobicContact CE1-CE1 4.41Å; F824-F945 HydrophobicContact CE2-CE1 4.35Å; F824-F945 HydrophobicContact CE2-CZ 4.28Å; F824-F945 HydrophobicContact CG-CE1 4.48Å; F824-F945 HydrophobicContact CZ-CE1 4.36Å; F824-V949 HydrophobicContact CB-CG1 4.15Å; F824-V949 HydrophobicContact CB-CG2 4.36Å
825E83.5Confident83.9Confident28 Ų2855.2 Ų55.213%0.13127%0.27CS..Hα-helixtrans-58.7-38.9177.3-171.2179.7-176.100113.3W821 R822 F823 R957 R967W821-E825 PolarHBondContact O-N 3.5Å; R822-E825 WeakPolarHBondContact O-CB 3.4Å; R822-E825 PolarHBondContact O-N 3.24Å; F823-E825 VanDerWaalsContact C-N 3.32Å; F823-E825 PolarHBondContact O-N 3.34Å; E825-R957 IonicContact OE1-CZ 3.92Å; E825-R957 VanDerWaalsContact OE1-CZ 3.25Å; E825-R957 IonicContact OE1-NH1 2.62Å; E825-R957 PolarHBondContact OE1-NH1 2.77Å; E825-R957 IonicContact OE1-NH2 3.69Å; E825-R957 PolarHBondContact OE1-NH2 3.31Å; E825-R957 IonicContact OE2-CZ 2.73Å; E825-R957 IonicContact OE2-NH1 2.67Å; E825-R957 IonicContact OE2-NH2 2.68Å; E825-R957 PolarHBondContact OE2-NH2 3.36Å; E825-R967 HydrophobicContact CG-CG 4.49Å
826V80.3Confident84.6Confident39 Ų3949.5 Ų49.524%0.23624%0.243CC..Hα-helixtrans-76.1-34.4179.1177.10000112.4R822 F823 F824 V970R822-V826 PolarHBondContact O-N 2.98Å; R822-V826 VanDerWaalsContact O-N 3.17Å; F823-V826 PolarHBondContact O-N 3.45Å; F824-V826 VanDerWaalsContact C-N 3.29Å; F824-V826 PolarHBondContact O-N 3.49Å; V826-V970 HydrophobicContact CG2-CG2 4.34Å
827H86.2Confident85.3Confident58 Ų5846.3 Ų46.327%0.26922%0.224SC..Hα-helixtrans-111-11.4-169-68.7-87.6000116F823 F824 S829 K830 I831F823-H827 AromaticContact CD2-CD2 3.7Å; F823-H827 AromaticContact CE2-CD2 3.5Å; F823-H827 VanDerWaalsContact CE2-CD2 3.5Å; F823-H827 WeakPolarHBondContact CE2-CD2 3.38Å; F823-H827 AromaticContact CE2-NE2 3.72Å; F823-H827 AromaticContact CZ-CD2 3.91Å; F823-H827 PolarHBondContact O-CD2 3.07Å; F823-H827 PolarHBondContact O-N 3.38Å; F824-H827 PolarHBondContact O-N 2.94Å; H827-S829 PolarHBondContact O-N 3.21Å; H827-K830 WeakPolarHBondContact O-CB 3.5Å; H827-K830 PolarHBondContact O-N 3.31Å; H827-K830 VanDerWaalsContact O-N 3.13Å; H827-I831 HydrophobicContact CB-CD1 4.01Å; H827-I831 HydrophobicContact CB-CG1 4.46Å; H827-I831 WeakPolarHBondContact O-CG1 3.34Å; H827-I831 PolarHBondContact O-N 3.21Å
828I85.1Confident85.8Confident12 Ų1246.1 Ų46.16%0.06222%0.223CC..Hα-helixtrans-61.3-36.5-169.5-170.960.4000114.1F824 I831 V832 F945 Q946F824-I828 HydrophobicContact CD1-CD1 4.48Å; F824-I828 WeakPolarHBondContact O-CA 3.15Å; F824-I828 WeakPolarHBondContact O-CB 3.44Å; F824-I828 WeakPolarHBondContact O-CG2 3.5Å; F824-I828 PolarHBondContact O-N 3.41Å; I828-I831 PolarHBondContact O-N 3.05Å; I828-V832 HydrophobicContact CD1-CG2 4.27Å; I828-V832 HydrophobicContact CG1-CG2 4.38Å; I828-V832 VanDerWaalsContact O-CG2 3.31Å; I828-V832 WeakPolarHBondContact O-CG2 3.3Å; I828-V832 PolarHBondContact O-N 3.29Å; I828-F945 HydrophobicContact CD1-CD1 3.93Å; I828-F945 HydrophobicContact CD1-CE1 4.27Å; I828-Q946 HydrophobicContact CG1-CB 4.08Å; I828-Q946 HydrophobicContact CG1-CG 4.11Å; I828-Q946 HydrophobicContact CG2-CG 4.34Å
829S82.4Confident86.3Confident29 Ų2945.3 Ų45.320%0.20322%0.219CC..Hα-helixtrans-63.3-46.4175.850.90000111.5H827 I831 V832 F833H827-S829 PolarHBondContact O-N 3.21Å; S829-I831 VanDerWaalsContact C-N 3.34Å; S829-I831 PolarHBondContact O-N 3.03Å; S829-V832 PolarHBondContact O-N 2.94Å; S829-F833 WeakPolarHBondContact O-CD2 3.36Å; S829-F833 WeakPolarHBondContact O-CG 3.23Å; S829-F833 PolarHBondContact O-N 3.42Å
830K86.5Confident86.8Confident80 Ų8042.2 Ų42.235%0.34820%0.203SC..Hα-helixtrans-60.1-42.3175.9-56.7-178.7-178.1-173.80111.9H827 F833 V834H827-K830 WeakPolarHBondContact O-CB 3.5Å; H827-K830 PolarHBondContact O-N 3.31Å; H827-K830 VanDerWaalsContact O-N 3.13Å; K830-F833 PolarHBondContact O-N 3.47Å; K830-V834 VanDerWaalsContact O-CG2 3.31Å; K830-V834 WeakPolarHBondContact O-CG2 3.19Å; K830-V834 PolarHBondContact O-N 2.94Å
831I87.7Confident87.1Confident59 Ų5938 Ų3830%0.30318%0.181SC..Hα-helixtrans-63.4-45.4177.6-66.7165.4000110.7F824 H827 I828 S829 V834 I835F824-I831 HydrophobicContact CD1-CD1 4.26Å; F824-I831 HydrophobicContact CE1-CD1 4.32Å; H827-I831 HydrophobicContact CB-CD1 4.01Å; H827-I831 HydrophobicContact CB-CG1 4.46Å; H827-I831 WeakPolarHBondContact O-CG1 3.34Å; H827-I831 PolarHBondContact O-N 3.21Å; I828-I831 PolarHBondContact O-N 3.05Å; S829-I831 VanDerWaalsContact C-N 3.34Å; S829-I831 PolarHBondContact O-N 3.03Å; I831-V834 PolarHBondContact O-N 3.36Å; I831-I835 HydrophobicContact CG2-CD1 3.98Å; I831-I835 WeakPolarHBondContact O-CG1 3.1Å; I831-I835 PolarHBondContact O-N 3.27Å
832V88Confident87.2Confident2 Ų240.5 Ų40.51%0.01220%0.198CC..Hα-helixtrans-63.1-41.6176.3170.90000111.2I828 S829 I835 I836 A942 L943 Q946I828-V832 HydrophobicContact CD1-CG2 4.27Å; I828-V832 HydrophobicContact CG1-CG2 4.38Å; I828-V832 VanDerWaalsContact O-CG2 3.31Å; I828-V832 WeakPolarHBondContact O-CG2 3.3Å; I828-V832 PolarHBondContact O-N 3.29Å; S829-V832 PolarHBondContact O-N 2.94Å; V832-I835 PolarHBondContact O-N 3.36Å; V832-I836 HydrophobicContact CG1-CD1 3.77Å; V832-I836 WeakPolarHBondContact O-CG1 3.22Å; V832-I836 PolarHBondContact O-N 3.41Å; V832-A942 HydrophobicContact CG2-CB 4.34Å; V832-L943 HydrophobicContact CG1-CD2 3.84Å; V832-L943 HydrophobicContact CG1-CG 4.35Å; V832-Q946 HydrophobicContact CG2-CB 4.32Å
833F89.3Confident87.4Confident26 Ų2639.1 Ų39.111%0.11420%0.197CC..Hα-helixtrans-63.3-39.7175.8-63.5-22.1000112.7S829 K830 I836 A837 L855 A858 I859 F1109S829-F833 WeakPolarHBondContact O-CD2 3.36Å; S829-F833 WeakPolarHBondContact O-CG 3.23Å; S829-F833 PolarHBondContact O-N 3.42Å; K830-F833 PolarHBondContact O-N 3.47Å; F833-I836 PolarHBondContact O-N 2.76Å; F833-A837 VanDerWaalsContact O-CB 3.32Å; F833-A837 WeakPolarHBondContact O-CB 3.21Å; F833-A837 PolarHBondContact O-N 3.47Å; F833-L855 HydrophobicContact CB-CD1 3.76Å; F833-L855 HydrophobicContact CD1-CD1 3.86Å; F833-L855 HydrophobicContact CG-CD1 3.96Å; F833-A858 HydrophobicContact CE1-CB 4.03Å; F833-A858 HydrophobicContact CE2-CB 4.43Å; F833-A858 HydrophobicContact CZ-CB 3.78Å; F833-I859 HydrophobicContact CD2-CG1 4.09Å; F833-I859 HydrophobicContact CE2-CG1 4.49Å; F833-F1109 HydrophobicContact CB-CZ 4.4Å
834V89.7Confident87.4Confident33 Ų3336.9 Ų36.920%0.219%0.189CC..Hα-helixtrans-64.3-43.7173.9169.20000111.5K830 I831 I836 A837 I838 F1109 F1110 L1113K830-V834 VanDerWaalsContact O-CG2 3.31Å; K830-V834 WeakPolarHBondContact O-CG2 3.19Å; K830-V834 PolarHBondContact O-N 2.94Å; I831-V834 PolarHBondContact O-N 3.36Å; V834-I836 VanDerWaalsContact C-N 3.33Å; V834-I836 PolarHBondContact O-N 3Å; V834-A837 PolarHBondContact O-N 3.28Å; V834-I838 HydrophobicContact CG1-CD1 3.73Å; V834-I838 HydrophobicContact CG1-CG1 4.46Å; V834-I838 WeakPolarHBondContact O-CG1 3.25Å; V834-I838 PolarHBondContact O-N 3.06Å; V834-F1109 HydrophobicContact CG2-CE1 3.99Å; V834-F1110 HydrophobicContact CG2-CE1 4.49Å; V834-L1113 HydrophobicContact CG2-CD2 4.36Å
835I90.8Very high87.5Confident53 Ų5336.3 Ų36.327%0.27219%0.189SC..Hα-helixtrans-60-44.7176.9-69.1165000110.7I831 V832 F839 V938 A942I831-I835 HydrophobicContact CG2-CD1 3.98Å; I831-I835 WeakPolarHBondContact O-CG1 3.1Å; I831-I835 PolarHBondContact O-N 3.27Å; V832-I835 PolarHBondContact O-N 3.36Å; I835-F839 WeakPolarHBondContact O-CB 3.09Å; I835-F839 PolarHBondContact O-N 2.85Å; I835-V938 HydrophobicContact CG2-CG1 4.39Å; I835-A942 HydrophobicContact CD1-CB 4.01Å
836I90.4Very high87.7Confident4 Ų435.5 Ų35.52%0.02119%0.187CC..Hα-helixtrans-67.8-40.9178.3-66.8168.8000111V832 F833 V834 F839 I840 L851 L855 M873V832-I836 HydrophobicContact CG1-CD1 3.77Å; V832-I836 WeakPolarHBondContact O-CG1 3.22Å; V832-I836 PolarHBondContact O-N 3.41Å; F833-I836 PolarHBondContact O-N 2.76Å; V834-I836 VanDerWaalsContact C-N 3.33Å; V834-I836 PolarHBondContact O-N 3Å; I836-F839 PolarHBondContact O-N 3.09Å; I836-I840 HydrophobicContact CG2-CD1 3.72Å; I836-I840 HydrophobicContact CG2-CG1 4.36Å; I836-I840 VanDerWaalsContact O-CG1 3.26Å; I836-I840 WeakPolarHBondContact O-CG1 3.01Å; I836-I840 PolarHBondContact O-N 3.29Å; I836-L851 HydrophobicContact CG2-CD2 4.01Å; I836-L851 HydrophobicContact CG2-CG 4.2Å; I836-L855 HydrophobicContact CG2-CD2 4.34Å; I836-M873 HydrophobicContact CD1-CE 4.12Å; I836-M873 HydrophobicContact CG2-CE 3.89Å
837A89.7Confident88.1Confident4 Ų434.3 Ų34.33%0.03318%0.179CC..Hα-helixtrans-60.1-47.3176.900000112.2F833 V834 I840 A841 L855 F1109F833-A837 VanDerWaalsContact O-CB 3.32Å; F833-A837 WeakPolarHBondContact O-CB 3.21Å; F833-A837 PolarHBondContact O-N 3.47Å; V834-A837 PolarHBondContact O-N 3.28Å; A837-I840 PolarHBondContact O-N 3.18Å; A837-A841 WeakPolarHBondContact O-CB 3.07Å; A837-A841 PolarHBondContact O-N 3.25Å; A837-L855 HydrophobicContact CB-CD2 3.99Å; A837-F1109 HydrophobicContact CB-CD1 3.93Å; A837-F1109 HydrophobicContact CB-CD2 3.81Å; A837-F1109 HydrophobicContact CB-CE1 3.8Å; A837-F1109 HydrophobicContact CB-CE2 3.66Å; A837-F1109 HydrophobicContact CB-CG 3.94Å; A837-F1109 HydrophobicContact CB-CZ 3.67Å
838I91.1Very high88.4Confident70 Ų7031.7 Ų31.736%0.35917%0.166SC..Hα-helixtrans-63.8-41.4177.2-66.1166.4000110.9V834 I840 A841 N842V834-I838 HydrophobicContact CG1-CD1 3.73Å; V834-I838 HydrophobicContact CG1-CG1 4.46Å; V834-I838 WeakPolarHBondContact O-CG1 3.25Å; V834-I838 PolarHBondContact O-N 3.06Å; I838-I840 PolarHBondContact O-N 3.22Å; I838-A841 PolarHBondContact O-N 3.12Å; I838-N842 PolarHBondContact O-N 3.25Å
839F89.9Confident88.6Confident21 Ų2132.9 Ų32.99%0.09217%0.173CC..Hα-helixtrans-60.5-42.9176.6169.7-111.3000112.4I835 I836 N843 Y848 L851 L877 V936I835-F839 WeakPolarHBondContact O-CB 3.09Å; I835-F839 PolarHBondContact O-N 2.85Å; I836-F839 PolarHBondContact O-N 3.09Å; F839-N843 PolarHBondContact O-N 3.13Å; F839-N843 PolarHBondContact O-ND2 2.82Å; F839-Y848 HydrophobicContact CE1-CD1 4Å; F839-Y848 AromaticContact CE1-CE1 3.58Å; F839-Y848 HydrophobicContact CE1-CE1 3.58Å; F839-Y848 HydrophobicContact CZ-CD1 4.47Å; F839-Y848 AromaticContact CZ-CE1 3.66Å; F839-Y848 HydrophobicContact CZ-CE1 3.66Å; F839-Y848 AromaticContact CZ-CZ 3.68Å; F839-L851 HydrophobicContact CD1-CD2 4.23Å; F839-L851 HydrophobicContact CE1-CD2 4.19Å; F839-L877 HydrophobicContact CE1-CD2 4.3Å; F839-V936 HydrophobicContact CE2-CG2 4.36Å; F839-V936 HydrophobicContact CZ-CG2 3.88Å
840I91Very high89Confident0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-71.8-44.4177.7-60.3160.4000111.6I836 A837 I838 N842 N843 L851 V852 L855 F1056I836-I840 HydrophobicContact CG2-CD1 3.72Å; I836-I840 HydrophobicContact CG2-CG1 4.36Å; I836-I840 VanDerWaalsContact O-CG1 3.26Å; I836-I840 WeakPolarHBondContact O-CG1 3.01Å; I836-I840 PolarHBondContact O-N 3.29Å; A837-I840 PolarHBondContact O-N 3.18Å; I838-I840 PolarHBondContact O-N 3.22Å; I840-N842 PolarHBondContact O-N 2.74Å; I840-N843 CarbonylContact O-C 3.27Å; I840-N843 VanDerWaalsContact O-C 3.28Å; I840-N843 PolarHBondContact O-N 3.21Å; I840-L851 HydrophobicContact CD1-CB 3.9Å; I840-L851 HydrophobicContact CD1-CD2 3.89Å; I840-L851 HydrophobicContact CD1-CG 4.01Å; I840-L851 HydrophobicContact CG1-CB 4.34Å; I840-L851 HydrophobicContact CG1-CD2 3.78Å; I840-L851 HydrophobicContact CG1-CG 4.41Å; I840-V852 HydrophobicContact CD1-CG2 4.12Å; I840-V852 HydrophobicContact CG2-CG2 3.56Å; I840-L855 HydrophobicContact CD1-CD2 4.16Å; I840-F1056 HydrophobicContact CG2-CD2 4.23Å; I840-F1056 HydrophobicContact CG2-CE2 3.43Å; I840-F1056 VanDerWaalsContact CG2-CE2 3.43Å; I840-F1056 HydrophobicContact CG2-CZ 3.65Å
841A88.7Confident89.2Confident2 Ų230.3 Ų30.32%0.01716%0.163CC..Hα-helixtrans-61-27.9-178.400000112.7A837 I838 S1102 L1105 I1106A837-A841 WeakPolarHBondContact O-CB 3.07Å; A837-A841 PolarHBondContact O-N 3.25Å; I838-A841 PolarHBondContact O-N 3.12Å; A841-S1102 WeakPolarHBondContact O-CB 3.42Å; A841-L1105 HydrophobicContact CB-CB 4.31Å; A841-I1106 HydrophobicContact CB-CD1 4.29Å; A841-I1106 HydrophobicContact CB-CG1 3.92Å
842N88.2Confident89.4Confident97 Ų9727.6 Ų27.652%0.51915%0.15SC..THydrogen-bonded Turntrans-87.4-8.9175.1-69.8-10.6000114.4I838 I840 S1102I838-N842 PolarHBondContact O-N 3.25Å; I840-N842 PolarHBondContact O-N 2.74Å; N842-S1102 PolarHBondContact OD1-OG 2.73Å; N842-S1102 VanDerWaalsContact OD1-OG 3.08Å
843N86.1Confident89.5Confident58 Ų5830.9 Ų30.931%0.3117%0.166SC..  trans-132.979-179.7-62.5-89.5000109.4F839 I840 N845 Y848F839-N843 PolarHBondContact O-N 3.13Å; F839-N843 PolarHBondContact O-ND2 2.82Å; I840-N843 CarbonylContact O-C 3.27Å; I840-N843 VanDerWaalsContact O-C 3.28Å; I840-N843 PolarHBondContact O-N 3.21Å; N843-N845 PolarHBondContact O-N 3.33Å; N843-Y848 HydrophobicContact CB-CD2 4Å; N843-Y848 HydrophobicContact CB-CE2 3.72Å; N843-Y848 VanDerWaalsContact O-CD2 3.28Å; N843-Y848 WeakPolarHBondContact O-CD2 3.43Å
844I86.4Confident89.5Confident46 Ų4631.5 Ų31.524%0.23617%0.171CC..  trans-80.470.5-174.9-50.5178.2000109.9F1056 Y1059 V1060 W1100 L1105I844-F1056 HydrophobicContact CB-CE2 4.49Å; I844-F1056 HydrophobicContact CG1-CE2 4.45Å; I844-F1056 HydrophobicContact CG2-CE2 4.12Å; I844-F1056 HydrophobicContact CG2-CZ 4.33Å; I844-Y1059 HydrophobicContact CD1-CD2 4.42Å; I844-V1060 HydrophobicContact CG2-CG2 3.7Å; I844-W1100 HydrophobicContact CD1-CB 4.45Å; I844-L1105 HydrophobicContact CD1-CD1 4.46Å
845N87Confident89.6Confident42 Ų4230 Ų3023%0.22516%0.161CC..  trans-122.6152.1-175.9-54.622.3000110.8N843 L847 Y848 G919N843-N845 PolarHBondContact O-N 3.33Å; N845-L847 PolarHBondContact O-N 2.9Å; N845-Y848 HydrophobicContact CB-CD2 4.09Å; N845-Y848 HydrophobicContact CB-CE2 4.32Å; N845-Y848 PolarHBondContact O-N 3.14Å; N845-G919 WeakPolarHBondContact ND2-CA 3.13Å
846A87.9Confident89.4Confident11 Ų1128 Ų289%0.09115%0.153CC..G310 helixtrans-60-31.6-177.100000113.6Y848 I849 W917 F918A846-Y848 PolarHBondContact O-N 2.93Å; A846-Y848 VanDerWaalsContact O-N 3.07Å; A846-I849 HydrophobicContact CB-CD1 4.23Å; A846-I849 WeakPolarHBondContact O-CB 3.48Å; A846-I849 WeakPolarHBondContact O-CG1 3.47Å; A846-I849 PolarHBondContact O-N 3.42Å; A846-I849 VanDerWaalsContact O-N 3.14Å; A846-W917 HydrophobicContact CB-CD2 4.3Å; A846-W917 HydrophobicContact CB-CE3 4.04Å; A846-W917 HydrophobicContact CB-CH2 3.78Å; A846-W917 HydrophobicContact CB-CZ2 4.05Å; A846-W917 HydrophobicContact CB-CZ3 3.78Å; A846-W917 PolarHBondContact N-O 3.4Å; A846-F918 HydrophobicContact CB-CD2 4.41Å
847L88.4Confident89.3Confident14 Ų1431.5 Ų31.57%0.07317%0.171CC..G310 helixtrans-55.7-23.3175.7-170.467.5000114.2N845 Y876 V880 F918N845-L847 PolarHBondContact O-N 2.9Å; L847-Y876 PolarHBondContact O-OH 3.27Å; L847-Y876 VanDerWaalsContact O-OH 3.05Å; L847-V880 HydrophobicContact CD1-CG2 4.22Å; L847-V880 HydrophobicContact CD2-CG1 3.82Å; L847-V880 HydrophobicContact CD2-CG2 3.99Å; L847-V880 HydrophobicContact CG-CG2 4.12Å; L847-F918 VanDerWaalsContact CB-O 3.24Å; L847-F918 WeakPolarHBondContact CB-O 3.32Å; L847-F918 HydrophobicContact CD1-CE1 3.87Å; L847-F918 HydrophobicContact CD1-CZ 4.14Å; L847-F918 PolarHBondContact N-O 3.44Å; L847-F918 VanDerWaalsContact N-O 3.11Å
848Y91.8Very high89.1Confident2 Ų231.6 Ų31.61%0.00817%0.172CC..G310 helixtrans-97.5-2.1-177.8-58.4-59.9000114.5F839 N843 N845 A846 L851 V852F839-Y848 HydrophobicContact CE1-CD1 4Å; F839-Y848 AromaticContact CE1-CE1 3.58Å; F839-Y848 HydrophobicContact CE1-CE1 3.58Å; F839-Y848 HydrophobicContact CZ-CD1 4.47Å; F839-Y848 AromaticContact CZ-CE1 3.66Å; F839-Y848 HydrophobicContact CZ-CE1 3.66Å; F839-Y848 AromaticContact CZ-CZ 3.68Å; N843-Y848 HydrophobicContact CB-CD2 4Å; N843-Y848 HydrophobicContact CB-CE2 3.72Å; N843-Y848 VanDerWaalsContact O-CD2 3.28Å; N843-Y848 WeakPolarHBondContact O-CD2 3.43Å; N845-Y848 HydrophobicContact CB-CD2 4.09Å; N845-Y848 HydrophobicContact CB-CE2 4.32Å; N845-Y848 PolarHBondContact O-N 3.14Å; A846-Y848 PolarHBondContact O-N 2.93Å; A846-Y848 VanDerWaalsContact O-N 3.07Å; Y848-L851 HydrophobicContact CD1-CD2 4.17Å; Y848-L851 WeakPolarHBondContact O-CA 3.47Å; Y848-L851 WeakPolarHBondContact O-CB 3.29Å; Y848-L851 PolarHBondContact O-N 3.31Å; Y848-V852 PolarHBondContact O-N 3.02Å; Y848-V852 VanDerWaalsContact O-N 3.1Å
849I90.1Very high88.8Confident38 Ų3829.5 Ų29.520%0.19516%0.161CC..Hα-helixtrans-52.3-47.8174.5-72.7168.6000112.7A846 L851 V852 I853 F1056 F1057A846-I849 HydrophobicContact CB-CD1 4.23Å; A846-I849 WeakPolarHBondContact O-CB 3.48Å; A846-I849 WeakPolarHBondContact O-CG1 3.47Å; A846-I849 PolarHBondContact O-N 3.42Å; A846-I849 VanDerWaalsContact O-N 3.14Å; I849-L851 PolarHBondContact O-N 3.16Å; I849-V852 PolarHBondContact O-N 3.36Å; I849-I853 HydrophobicContact CG2-CD1 3.96Å; I849-I853 WeakPolarHBondContact O-CG1 3.23Å; I849-I853 PolarHBondContact O-N 3.27Å; I849-F1056 HydrophobicContact CG1-CD1 4.4Å; I849-F1056 HydrophobicContact CG1-CE1 4.02Å; I849-F1057 HydrophobicContact CB-CE1 4.46Å; I849-F1057 HydrophobicContact CD1-CD1 4.31Å; I849-F1057 HydrophobicContact CD1-CE1 4.1Å; I849-F1057 HydrophobicContact CG1-CD1 4.46Å; I849-F1057 HydrophobicContact CG1-CE1 4.1Å; I849-F1057 HydrophobicContact CG2-CE1 3.58Å; I849-F1057 HydrophobicContact CG2-CZ 4.08Å
850P90.5Very high88.5Confident53 Ų5331.8 Ų31.834%0.34418%0.179SC..Hα-helixtrans-60.7-31.9176.3-23.435.1000112.7L854P850-L854 WeakPolarHBondContact O-CB 3.4Å; P850-L854 WeakPolarHBondContact O-CD1 3.19Å; P850-L854 WeakPolarHBondContact O-CG 3.31Å; P850-L854 PolarHBondContact O-N 3.38Å
851L90.6Very high87.8Confident1 Ų135.5 Ų35.51%0.00520%0.198CC..Hα-helixtrans-68.6-39.5179.4-141.973000111.2I836 F839 I840 Y848 I849 L855 M873 Y876 L877I836-L851 HydrophobicContact CG2-CD2 4.01Å; I836-L851 HydrophobicContact CG2-CG 4.2Å; F839-L851 HydrophobicContact CD1-CD2 4.23Å; F839-L851 HydrophobicContact CE1-CD2 4.19Å; I840-L851 HydrophobicContact CD1-CB 3.9Å; I840-L851 HydrophobicContact CD1-CD2 3.89Å; I840-L851 HydrophobicContact CD1-CG 4.01Å; I840-L851 HydrophobicContact CG1-CB 4.34Å; I840-L851 HydrophobicContact CG1-CD2 3.78Å; I840-L851 HydrophobicContact CG1-CG 4.41Å; Y848-L851 HydrophobicContact CD1-CD2 4.17Å; Y848-L851 WeakPolarHBondContact O-CA 3.47Å; Y848-L851 WeakPolarHBondContact O-CB 3.29Å; Y848-L851 PolarHBondContact O-N 3.31Å; I849-L851 PolarHBondContact O-N 3.16Å; L851-L855 WeakPolarHBondContact O-CB 3.38Å; L851-L855 PolarHBondContact O-N 3Å; L851-M873 HydrophobicContact CD1-CE 3.65Å; L851-M873 HydrophobicContact CD1-SD 3.42Å; L851-M873 WeakPolarHBondContact CD1-SD 3.29Å; L851-M873 HydrophobicContact CG-CE 3.63Å; L851-M873 HydrophobicContact CG-SD 4.02Å; L851-Y876 HydrophobicContact CD1-CD1 4.2Å; L851-L877 HydrophobicContact CD2-CD2 4.42Å
852V91.5Very high86.8Confident3 Ų340.1 Ų40.12%0.01823%0.228CC..Hα-helixtrans-65.6-44.1175.1178.70000111.9I840 Y848 I849 L855 S856 Y1052 P1053 F1056I840-V852 HydrophobicContact CD1-CG2 4.12Å; I840-V852 HydrophobicContact CG2-CG2 3.56Å; Y848-V852 PolarHBondContact O-N 3.02Å; Y848-V852 VanDerWaalsContact O-N 3.1Å; I849-V852 PolarHBondContact O-N 3.36Å; V852-L855 PolarHBondContact O-N 2.92Å; V852-S856 PolarHBondContact O-N 3.23Å; V852-S856 PolarHBondContact O-OG 2.84Å; V852-Y1052 HydrophobicContact CG1-CD1 4.3Å; V852-Y1052 HydrophobicContact CG1-CE1 3.94Å; V852-P1053 HydrophobicContact CG1-CB 4.4Å; V852-P1053 HydrophobicContact CG1-CG 4.5Å; V852-F1056 HydrophobicContact CG1-CB 4.46Å; V852-F1056 HydrophobicContact CG2-CD1 3.83Å; V852-F1056 HydrophobicContact CG2-CD2 4.16Å; V852-F1056 HydrophobicContact CG2-CE1 3.9Å; V852-F1056 HydrophobicContact CG2-CE2 4.25Å; V852-F1056 HydrophobicContact CG2-CG 3.96Å; V852-F1056 HydrophobicContact CG2-CZ 4.11Å
853I90.7Very high85.7Confident70 Ų7039.4 Ų39.436%0.35923%0.231SC..Hα-helixtrans-64.6-47.2179-63.1167.4000109.8I849 L855 S856 L857 F1057I849-I853 HydrophobicContact CG2-CD1 3.96Å; I849-I853 WeakPolarHBondContact O-CG1 3.23Å; I849-I853 PolarHBondContact O-N 3.27Å; I853-L855 VanDerWaalsContact C-N 3.31Å; I853-L855 PolarHBondContact O-N 3.39Å; I853-S856 PolarHBondContact O-N 3.47Å; I853-S856 PolarHBondContact O-OG 3.35Å; I853-L857 HydrophobicContact CG2-CD1 3.91Å; I853-L857 WeakPolarHBondContact O-CB 3.47Å; I853-L857 VanDerWaalsContact O-CG 3.24Å; I853-L857 WeakPolarHBondContact O-CG 3.37Å; I853-L857 PolarHBondContact O-N 3.35Å; I853-F1057 HydrophobicContact CD1-CZ 4.33Å
854L90.2Very high84.7Confident40 Ų4041 Ų4121%0.20925%0.252CS..Hα-helixtrans-63.6-35.3176.8-70.8170.4000112.5P850 A858 F869 M873P850-L854 WeakPolarHBondContact O-CB 3.4Å; P850-L854 WeakPolarHBondContact O-CD1 3.19Å; P850-L854 WeakPolarHBondContact O-CG 3.31Å; P850-L854 PolarHBondContact O-N 3.38Å; L854-A858 WeakPolarHBondContact O-CB 3.47Å; L854-A858 PolarHBondContact O-N 2.67Å; L854-F869 HydrophobicContact CD2-CD1 3.83Å; L854-F869 HydrophobicContact CD2-CE1 4.11Å; L854-M873 HydrophobicContact CB-CE 4.29Å; L854-M873 HydrophobicContact CB-SD 3.5Å; L854-M873 WeakPolarHBondContact CB-SD 3.39Å; L854-M873 HydrophobicContact CD1-SD 3.61Å; L854-M873 HydrophobicContact CG-SD 4.2Å
855L90.1Very high84.2Confident1 Ų140 Ų401%0.00525%0.25CC..Hα-helixtrans-69.6-46.9177.5-178.965.2000112.9F833 I836 A837 I840 L851 V852 I853 A858 I859 F1109F833-L855 HydrophobicContact CB-CD1 3.76Å; F833-L855 HydrophobicContact CD1-CD1 3.86Å; F833-L855 HydrophobicContact CG-CD1 3.96Å; I836-L855 HydrophobicContact CG2-CD2 4.34Å; A837-L855 HydrophobicContact CB-CD2 3.99Å; I840-L855 HydrophobicContact CD1-CD2 4.16Å; L851-L855 WeakPolarHBondContact O-CB 3.38Å; L851-L855 PolarHBondContact O-N 3Å; V852-L855 PolarHBondContact O-N 2.92Å; I853-L855 VanDerWaalsContact C-N 3.31Å; I853-L855 PolarHBondContact O-N 3.39Å; L855-A858 PolarHBondContact O-N 3.39Å; L855-I859 HydrophobicContact CD1-CD1 4.43Å; L855-I859 HydrophobicContact CG-CD1 4.48Å; L855-I859 WeakPolarHBondContact O-CG1 3.36Å; L855-I859 PolarHBondContact O-N 2.78Å; L855-I859 VanDerWaalsContact O-N 3.14Å; L855-F1109 HydrophobicContact CD1-CE2 4.44Å; L855-F1109 HydrophobicContact CD2-CD2 4.49Å; L855-F1109 HydrophobicContact CD2-CE2 3.91Å; L855-F1109 HydrophobicContact CG-CE2 4.18Å
856S88.3Confident83.5Confident12 Ų1239 Ų398%0.08425%0.245CC..Hα-helixtrans-64.5-40.7177.851.30000111.8V852 I853 I859 C860V852-S856 PolarHBondContact O-N 3.23Å; V852-S856 PolarHBondContact O-OG 2.84Å; I853-S856 PolarHBondContact O-N 3.47Å; I853-S856 PolarHBondContact O-OG 3.35Å; S856-I859 PolarHBondContact O-N 3.4Å; S856-C860 PolarHBondContact O-N 2.79Å; S856-C860 PolarHBondContact O-SG 3.04Å
857L86.6Confident82.9Confident77 Ų7740.8 Ų40.840%0.40326%0.264SS..Hα-helixtrans-63.1-42.8171.6-70.3173.7000112.3I853 I859 C860 L861I853-L857 HydrophobicContact CG2-CD1 3.91Å; I853-L857 WeakPolarHBondContact O-CB 3.47Å; I853-L857 VanDerWaalsContact O-CG 3.24Å; I853-L857 WeakPolarHBondContact O-CG 3.37Å; I853-L857 PolarHBondContact O-N 3.35Å; L857-I859 VanDerWaalsContact C-N 3.26Å; L857-I859 PolarHBondContact O-N 2.79Å; L857-C860 PolarHBondContact O-N 3.06Å; L857-L861 HydrophobicContact CB-CD1 4.21Å; L857-L861 VanDerWaalsContact O-CB 3.27Å; L857-L861 WeakPolarHBondContact O-CB 3.48Å; L857-L861 VanDerWaalsContact O-CG 3.26Å; L857-L861 WeakPolarHBondContact O-CG 3.34Å; L857-L861 PolarHBondContact O-N 2.79Å
858A85.4Confident82.7Confident6 Ų645 Ų455%0.0529%0.286CS..Hα-helixtrans-64.5-26.317900000113.8F833 L854 L855 F869F833-A858 HydrophobicContact CE1-CB 4.03Å; F833-A858 HydrophobicContact CE2-CB 4.43Å; F833-A858 HydrophobicContact CZ-CB 3.78Å; L854-A858 WeakPolarHBondContact O-CB 3.47Å; L854-A858 PolarHBondContact O-N 2.67Å; L855-A858 PolarHBondContact O-N 3.39Å; A858-F869 HydrophobicContact CB-CD2 4.36Å
859I86Confident82.4Confident25 Ų2546.8 Ų46.813%0.12829%0.293CS..Hα-helixtrans-81-31.7175.3-69.3170.3000111.9F833 L855 S856 L857 F1109F833-I859 HydrophobicContact CD2-CG1 4.09Å; F833-I859 HydrophobicContact CE2-CG1 4.49Å; L855-I859 HydrophobicContact CD1-CD1 4.43Å; L855-I859 HydrophobicContact CG-CD1 4.48Å; L855-I859 WeakPolarHBondContact O-CG1 3.36Å; L855-I859 PolarHBondContact O-N 2.78Å; L855-I859 VanDerWaalsContact O-N 3.14Å; S856-I859 PolarHBondContact O-N 3.4Å; L857-I859 VanDerWaalsContact C-N 3.26Å; L857-I859 PolarHBondContact O-N 2.79Å; I859-F1109 HydrophobicContact CD1-CD2 4.31Å; I859-F1109 HydrophobicContact CD1-CE2 3.37Å; I859-F1109 HydrophobicContact CD1-CZ 3.76Å
860C82.2Confident82.1Confident70 Ų7045.8 Ų45.847%0.47329%0.29SS..Hα-helixtrans-86.2-24.8-177.9-62.50000113.9S856 L857S856-C860 PolarHBondContact O-N 2.79Å; S856-C860 PolarHBondContact O-SG 3.04Å; L857-C860 PolarHBondContact O-N 3.06Å
861L77Confident81.9Confident77 Ų7746.9 Ų46.940%0.40329%0.293SS..SBendtrans-91.1158.5-174.7-70.9173.7000113.4L857 F869L857-L861 HydrophobicContact CB-CD1 4.21Å; L857-L861 VanDerWaalsContact O-CB 3.27Å; L857-L861 WeakPolarHBondContact O-CB 3.48Å; L857-L861 VanDerWaalsContact O-CG 3.26Å; L857-L861 WeakPolarHBondContact O-CG 3.34Å; L857-L861 PolarHBondContact O-N 2.79Å; L861-F869 HydrophobicContact CD1-CE2 3.74Å; L861-F869 HydrophobicContact CD1-CZ 3.82Å
862P67.7Low81.8Confident100 Ų10052.2 Ų52.265%0.64932%0.316SS*.  trans-70.8145.8-179.327.5-35000113.3A864 A865P862-A864 PolarHBondContact O-N 3.4Å; P862-A865 PolarHBondContact O-N 2.95Å; P862-A865 VanDerWaalsContact O-N 3.07Å
863S65.7Low81.7Confident82 Ų8252.5 Ų52.557%0.57332%0.317SS*.THydrogen-bonded Turntrans-592.1-167.666.20000118.2D866S863-D866 VanDerWaalsContact CA-OD1 3.3Å; S863-D866 WeakPolarHBondContact CA-OD1 3.28Å
864A65.2Low81.6Confident91 Ų9149.5 Ų49.575%0.75230%0.302SS*.THydrogen-bonded Turntrans-80.8-3017200000111.6P862P862-A864 PolarHBondContact O-N 3.4Å
865A74.6Confident81.5Confident24 Ų2450.3 Ų50.320%0.19831%0.314CS..THydrogen-bonded Turntrans-77.6-25-177.400000113.2P862 G867 I868 F869P862-A865 PolarHBondContact O-N 2.95Å; P862-A865 VanDerWaalsContact O-N 3.07Å; A865-G867 PolarHBondContact O-N 2.92Å; A865-I868 PolarHBondContact O-N 3.3Å; A865-F869 HydrophobicContact CB-CD2 3.86Å; A865-F869 HydrophobicContact CB-CE2 3.51Å; A865-F869 HydrophobicContact CB-CZ 4.47Å; A865-F869 WeakPolarHBondContact O-CD2 3.37Å; A865-F869 PolarHBondContact O-N 3.24Å; A865-F869 VanDerWaalsContact O-N 3.09Å
866D74.1Confident81.6Confident22 Ų2253.4 Ų53.412%0.11833%0.327CS..Hα-helixtrans-47.3-40.1-179-56.915.8000113.3S863 S870S863-D866 VanDerWaalsContact CA-OD1 3.3Å; S863-D866 WeakPolarHBondContact CA-OD1 3.28Å; D866-S870 VanDerWaalsContact O-CB 3.24Å; D866-S870 WeakPolarHBondContact O-CB 3.48Å; D866-S870 PolarHBondContact O-N 2.81Å; D866-S870 PolarHBondContact O-OG 3.07Å
867G74.9Confident81.7Confident48 Ų4852.9 Ų52.950%0.49532%0.323SS..Hα-helixtrans-64.5-41.2-17900000112.6A865 S870 L871A865-G867 PolarHBondContact O-N 2.92Å; G867-S870 PolarHBondContact O-OG 2.92Å; G867-L871 PolarHBondContact O-N 3.17Å
868I82.9Confident81.9Confident103 Ų10349.8 Ų49.853%0.52831%0.306SS..Hα-helixtrans-71.4-49.5179.8-63168.7000109.6A865 S870 L871 F872A865-I868 PolarHBondContact O-N 3.3Å; I868-S870 VanDerWaalsContact C-N 3.31Å; I868-S870 PolarHBondContact O-N 2.99Å; I868-L871 WeakPolarHBondContact O-CB 3.5Å; I868-L871 PolarHBondContact O-N 2.95Å; I868-F872 HydrophobicContact CG2-CD2 3.94Å; I868-F872 HydrophobicContact CG2-CE2 3.41Å; I868-F872 VanDerWaalsContact CG2-CE2 3.41Å; I868-F872 HydrophobicContact CG2-CZ 4.08Å; I868-F872 PolarHBondContact O-N 3.44Å; I868-F872 VanDerWaalsContact O-N 3.15Å
869F86.1Confident82Confident39 Ų3954.8 Ų54.817%0.17133%0.332CS..Hα-helixtrans-58.8-42.1175.9-65.3-53.2000111.4L854 A858 L861 A865 L871 F872 M873L854-F869 HydrophobicContact CD2-CD1 3.83Å; L854-F869 HydrophobicContact CD2-CE1 4.11Å; A858-F869 HydrophobicContact CB-CD2 4.36Å; L861-F869 HydrophobicContact CD1-CE2 3.74Å; L861-F869 HydrophobicContact CD1-CZ 3.82Å; A865-F869 HydrophobicContact CB-CD2 3.86Å; A865-F869 HydrophobicContact CB-CE2 3.51Å; A865-F869 HydrophobicContact CB-CZ 4.47Å; A865-F869 WeakPolarHBondContact O-CD2 3.37Å; A865-F869 PolarHBondContact O-N 3.24Å; A865-F869 VanDerWaalsContact O-N 3.09Å; F869-L871 PolarHBondContact O-N 3.41Å; F869-F872 PolarHBondContact O-N 2.96Å; F869-M873 WeakPolarHBondContact O-CG 3.21Å; F869-M873 PolarHBondContact O-N 3.07Å
870S84.3Confident82.2Confident17 Ų1753.7 Ų53.712%0.11933%0.326CS..Hα-helixtrans-60.2-28.1176.582.30000114.1D866 G867 I868 C874D866-S870 VanDerWaalsContact O-CB 3.24Å; D866-S870 WeakPolarHBondContact O-CB 3.48Å; D866-S870 PolarHBondContact O-N 2.81Å; D866-S870 PolarHBondContact O-OG 3.07Å; G867-S870 PolarHBondContact O-OG 2.92Å; I868-S870 VanDerWaalsContact C-N 3.31Å; I868-S870 PolarHBondContact O-N 2.99Å; S870-C874 VanDerWaalsContact O-CB 3.32Å; S870-C874 WeakPolarHBondContact O-CB 3.43Å; S870-C874 PolarHBondContact O-N 2.77Å
871L85.4Confident82.4Confident77 Ų7750.4 Ų50.440%0.40330%0.304SS..Hα-helixtrans-77.7-43.5177.1-179.3143.4000111G867 I868 F869 C874 A875G867-L871 PolarHBondContact O-N 3.17Å; I868-L871 WeakPolarHBondContact O-CB 3.5Å; I868-L871 PolarHBondContact O-N 2.95Å; F869-L871 PolarHBondContact O-N 3.41Å; L871-C874 PolarHBondContact O-N 3.49Å; L871-A875 WeakPolarHBondContact O-CB 3.27Å; L871-A875 PolarHBondContact O-N 2.93Å
872F88.8Confident82.9Confident112 Ų11249.6 Ų49.649%0.49130%0.3SS..Hα-helixtrans-62.7-43.2174.4-66-43.8000112I868 F869 C874 A875 Y876I868-F872 HydrophobicContact CG2-CD2 3.94Å; I868-F872 HydrophobicContact CG2-CE2 3.41Å; I868-F872 VanDerWaalsContact CG2-CE2 3.41Å; I868-F872 HydrophobicContact CG2-CZ 4.08Å; I868-F872 PolarHBondContact O-N 3.44Å; I868-F872 VanDerWaalsContact O-N 3.15Å; F869-F872 PolarHBondContact O-N 2.96Å; F872-C874 VanDerWaalsContact C-N 3.32Å; F872-C874 PolarHBondContact O-N 3.08Å; F872-A875 PolarHBondContact O-N 3.35Å; F872-Y876 WeakPolarHBondContact O-CB 3.33Å; F872-Y876 PolarHBondContact O-N 3.42Å
873M89.5Confident83.8Confident10 Ų1046.9 Ų46.95%0.04928%0.283CS..Hα-helixtrans-59.2-43.3174.4-60.4-74.9-93.600111.2I836 L851 L854 F869 L877 L943I836-M873 HydrophobicContact CD1-CE 4.12Å; I836-M873 HydrophobicContact CG2-CE 3.89Å; L851-M873 HydrophobicContact CD1-CE 3.65Å; L851-M873 HydrophobicContact CD1-SD 3.42Å; L851-M873 WeakPolarHBondContact CD1-SD 3.29Å; L851-M873 HydrophobicContact CG-CE 3.63Å; L851-M873 HydrophobicContact CG-SD 4.02Å; L854-M873 HydrophobicContact CB-CE 4.29Å; L854-M873 HydrophobicContact CB-SD 3.5Å; L854-M873 WeakPolarHBondContact CB-SD 3.39Å; L854-M873 HydrophobicContact CD1-SD 3.61Å; L854-M873 HydrophobicContact CG-SD 4.2Å; F869-M873 WeakPolarHBondContact O-CG 3.21Å; F869-M873 PolarHBondContact O-N 3.07Å; M873-L877 WeakPolarHBondContact O-CB 3.46Å; M873-L877 VanDerWaalsContact O-CG 3.24Å; M873-L877 WeakPolarHBondContact O-CG 3.5Å; M873-L877 PolarHBondContact O-N 3.01Å; M873-L943 HydrophobicContact CB-CD1 4.44Å
874C89.2Confident84.9Confident7 Ų744 Ų445%0.04726%0.26CS..Hα-helixtrans-65.4-45.8178.5-161.80000112.5S870 L871 F872 L877 F878 L943S870-C874 VanDerWaalsContact O-CB 3.32Å; S870-C874 WeakPolarHBondContact O-CB 3.43Å; S870-C874 PolarHBondContact O-N 2.77Å; L871-C874 PolarHBondContact O-N 3.49Å; F872-C874 VanDerWaalsContact C-N 3.32Å; F872-C874 PolarHBondContact O-N 3.08Å; C874-L877 PolarHBondContact O-N 3.35Å; C874-F878 WeakPolarHBondContact O-CD2 3.38Å; C874-F878 PolarHBondContact O-N 3.3Å; C874-F878 VanDerWaalsContact O-N 3.1Å; C874-F878 VanDerWaalsContact SG-CE2 3.57Å; C874-L943 HydrophobicContact CB-CD1 3.96Å
875A88.3Confident85.9Confident56 Ų5639.9 Ų39.946%0.46323%0.226SC..Hα-helixtrans-64.2-41.2178.400000112L871 F872 F878 L879L871-A875 WeakPolarHBondContact O-CB 3.27Å; L871-A875 PolarHBondContact O-N 2.93Å; F872-A875 PolarHBondContact O-N 3.35Å; A875-F878 PolarHBondContact O-N 3.31Å; A875-L879 PolarHBondContact O-N 3.03Å; A875-L879 VanDerWaalsContact O-N 3.16Å
876Y91.5Very high86.4Confident67 Ų6743 Ų4326%0.26324%0.238SC..Hα-helixtrans-63.5-44.6175.8-169-108000111.8L847 L851 F872 F878 L879 V880L847-Y876 PolarHBondContact O-OH 3.27Å; L847-Y876 VanDerWaalsContact O-OH 3.05Å; L851-Y876 HydrophobicContact CD1-CD1 4.2Å; F872-Y876 WeakPolarHBondContact O-CB 3.33Å; F872-Y876 PolarHBondContact O-N 3.42Å; Y876-F878 VanDerWaalsContact C-N 3.33Å; Y876-F878 PolarHBondContact O-N 3.38Å; Y876-L879 PolarHBondContact O-N 3.01Å; Y876-L879 VanDerWaalsContact O-N 3.13Å; Y876-V880 HydrophobicContact CD1-CG2 4.14Å; Y876-V880 HydrophobicContact CE1-CG2 3.9Å; Y876-V880 WeakPolarHBondContact O-CG2 3.49Å; Y876-V880 PolarHBondContact O-N 2.68Å
877L91Very high87Confident1 Ų143.1 Ų43.11%0.00524%0.237CC..Hα-helixtrans-62.7-34.6176.8-72.8171.3000113.3F839 L851 M873 C874 A881 V936 I940 L943F839-L877 HydrophobicContact CE1-CD2 4.3Å; L851-L877 HydrophobicContact CD2-CD2 4.42Å; M873-L877 WeakPolarHBondContact O-CB 3.46Å; M873-L877 VanDerWaalsContact O-CG 3.24Å; M873-L877 WeakPolarHBondContact O-CG 3.5Å; M873-L877 PolarHBondContact O-N 3.01Å; C874-L877 PolarHBondContact O-N 3.35Å; L877-A881 WeakPolarHBondContact O-CB 3.32Å; L877-A881 PolarHBondContact O-N 3.19Å; L877-V936 HydrophobicContact CB-CG1 4.15Å; L877-V936 HydrophobicContact CD2-CG1 4.21Å; L877-V936 WeakPolarHBondContact O-CG1 3.26Å; L877-I940 HydrophobicContact CB-CD1 4.35Å; L877-I940 HydrophobicContact CB-CG1 4.07Å; L877-L943 HydrophobicContact CD1-CD1 3.93Å
878F89.3Confident87.5Confident11 Ų1142.3 Ų42.35%0.04822%0.22CC..Hα-helixtrans-66.6-39.4172-75.4-57.2000112.7W664 A665 L668 I669 C874 A875 Y876 A881 L882 I940W664-F878 HydrophobicContact CZ3-CE1 4.43Å; A665-F878 HydrophobicContact CB-CD1 3.95Å; A665-F878 HydrophobicContact CB-CE1 3.93Å; L668-F878 HydrophobicContact CB-CZ 4.01Å; L668-F878 HydrophobicContact CD1-CZ 4.49Å; I669-F878 HydrophobicContact CD1-CD2 3.88Å; I669-F878 HydrophobicContact CD1-CE2 4.08Å; I669-F878 HydrophobicContact CD1-CG 4.35Å; I669-F878 HydrophobicContact CG1-CD2 3.78Å; I669-F878 HydrophobicContact CG1-CE2 3.48Å; I669-F878 VanDerWaalsContact CG1-CE2 3.48Å; I669-F878 HydrophobicContact CG1-CZ 4.12Å; C874-F878 WeakPolarHBondContact O-CD2 3.38Å; C874-F878 PolarHBondContact O-N 3.3Å; C874-F878 VanDerWaalsContact O-N 3.1Å; C874-F878 VanDerWaalsContact SG-CE2 3.57Å; A875-F878 PolarHBondContact O-N 3.31Å; Y876-F878 VanDerWaalsContact C-N 3.33Å; Y876-F878 PolarHBondContact O-N 3.38Å; F878-A881 PolarHBondContact O-N 3.46Å; F878-L882 PolarHBondContact O-N 2.96Å; F878-I940 HydrophobicContact CD1-CD1 3.75Å; F878-I940 HydrophobicContact CE1-CD1 3.78Å; F878-I940 HydrophobicContact CE1-CG1 4.29Å; F878-I940 HydrophobicContact CE1-CG2 3.72Å; F878-I940 HydrophobicContact CE2-CG2 4.5Å; F878-I940 HydrophobicContact CG-CD1 4.44Å; F878-I940 HydrophobicContact CZ-CD1 4.49Å; F878-I940 HydrophobicContact CZ-CG2 3.6Å
879L88.9Confident87.4Confident112 Ų11238.3 Ų38.359%0.58620%0.2SC*.Hα-helixtrans-66-40.5176.2-168.1155.7000111.1A875 Y876 L882 S883A875-L879 PolarHBondContact O-N 3.03Å; A875-L879 VanDerWaalsContact O-N 3.16Å; Y876-L879 PolarHBondContact O-N 3.01Å; Y876-L879 VanDerWaalsContact O-N 3.13Å; L879-L882 PolarHBondContact O-N 2.62Å; L879-S883 WeakPolarHBondContact O-CB 3.3Å; L879-S883 PolarHBondContact O-N 3.31Å; L879-S883 PolarHBondContact O-OG 2.83Å
880V89Confident86.8Confident1 Ų143.3 Ų43.31%0.00623%0.228CC..Hα-helixtrans-61.3-41.7171.6169.30000111.7L847 Y876 S883 K884L847-V880 HydrophobicContact CD1-CG2 4.22Å; L847-V880 HydrophobicContact CD2-CG1 3.82Å; L847-V880 HydrophobicContact CD2-CG2 3.99Å; L847-V880 HydrophobicContact CG-CG2 4.12Å; Y876-V880 HydrophobicContact CD1-CG2 4.14Å; Y876-V880 HydrophobicContact CE1-CG2 3.9Å; Y876-V880 WeakPolarHBondContact O-CG2 3.49Å; Y876-V880 PolarHBondContact O-N 2.68Å; V880-S883 WeakPolarHBondContact CA-OG 3.34Å; V880-S883 PolarHBondContact O-OG 3.09Å; V880-S883 VanDerWaalsContact O-OG 3.09Å; V880-K884 HydrophobicContact CG1-CD 4.48Å; V880-K884 WeakPolarHBondContact O-CB 3.47Å; V880-K884 WeakPolarHBondContact O-CG 3.27Å; V880-K884 PolarHBondContact O-N 3.01Å; V880-K884 VanDerWaalsContact O-N 3.08Å
881A87.2Confident86.4Confident2 Ų247.1 Ų47.12%0.01725%0.246CC..Hα-helixtrans-65.5-45.6177.600000112.7F661 L877 F878 K884 M885 L933 V936F661-A881 HydrophobicContact CE1-CB 4.2Å; F661-A881 HydrophobicContact CZ-CB 4.17Å; L877-A881 WeakPolarHBondContact O-CB 3.32Å; L877-A881 PolarHBondContact O-N 3.19Å; F878-A881 PolarHBondContact O-N 3.46Å; A881-K884 PolarHBondContact O-N 3.11Å; A881-M885 PolarHBondContact O-N 3.05Å; A881-L933 HydrophobicContact CB-CD2 4.04Å; A881-V936 HydrophobicContact CB-CG1 4.11Å
882L87.4Confident85.9Confident60 Ų6045 Ų4531%0.31424%0.237SC..Hα-helixtrans-67.7-42.8179.8-73.5170.7000112.4F661 F878 L879 K884 M885 I886F661-L882 HydrophobicContact CD1-CD2 4.03Å; F661-L882 HydrophobicContact CE1-CD2 4.29Å; F878-L882 PolarHBondContact O-N 2.96Å; L879-L882 PolarHBondContact O-N 2.62Å; L882-K884 VanDerWaalsContact C-N 3.33Å; L882-K884 PolarHBondContact O-N 3.35Å; L882-M885 PolarHBondContact O-N 3.02Å; L882-I886 WeakPolarHBondContact O-CB 3.41Å; L882-I886 WeakPolarHBondContact O-CD1 3.39Å; L882-I886 VanDerWaalsContact O-CG1 3.26Å; L882-I886 WeakPolarHBondContact O-CG1 3.37Å; L882-I886 PolarHBondContact O-N 2.93Å
883S87.5Confident85.1Confident43 Ų4344.2 Ų44.230%0.30124%0.243SC..Hα-helixtrans-61.9-40.8175.448.60000111.9L879 V880 I886 Y887L879-S883 WeakPolarHBondContact O-CB 3.3Å; L879-S883 PolarHBondContact O-N 3.31Å; L879-S883 PolarHBondContact O-OG 2.83Å; V880-S883 WeakPolarHBondContact CA-OG 3.34Å; V880-S883 PolarHBondContact O-OG 3.09Å; V880-S883 VanDerWaalsContact O-OG 3.09Å; S883-I886 PolarHBondContact O-N 3.3Å; S883-Y887 WeakPolarHBondContact O-CB 3.15Å; S883-Y887 PolarHBondContact O-N 3.38Å; S883-Y887 VanDerWaalsContact O-N 3.12Å
884K87.8Confident84Confident20 Ų2047.7 Ų47.79%0.08726%0.259CS..Hα-helixtrans-60.7-43.9171.9-80.1-169.4173.8-157.50113V880 A881 L882 L920 M932 L933V880-K884 HydrophobicContact CG1-CD 4.48Å; V880-K884 WeakPolarHBondContact O-CB 3.47Å; V880-K884 WeakPolarHBondContact O-CG 3.27Å; V880-K884 PolarHBondContact O-N 3.01Å; V880-K884 VanDerWaalsContact O-N 3.08Å; A881-K884 PolarHBondContact O-N 3.11Å; L882-K884 VanDerWaalsContact C-N 3.33Å; L882-K884 PolarHBondContact O-N 3.35Å; K884-L920 HydrophobicContact CG-CD2 4.45Å; K884-M932 HydrophobicContact CB-CE 3.75Å; K884-M932 HydrophobicContact CB-SD 3.86Å; K884-M932 HydrophobicContact CD-CE 3.83Å; K884-M932 HydrophobicContact CD-CG 4.41Å; K884-M932 HydrophobicContact CD-SD 4.22Å; K884-M932 HydrophobicContact CG-CE 3.73Å; K884-M932 HydrophobicContact CG-SD 4.35Å; K884-L933 HydrophobicContact CB-CD2 4.17Å
885M85.2Confident83.1Confident6 Ų651.4 Ų51.43%0.0328%0.278CS..Hα-helixtrans-67.7-39.7177.2-71.5-170.881.800113.4I658 F661 A881 L882 Y887 Q888 L933I658-M885 HydrophobicContact CG1-CE 4.35Å; F661-M885 HydrophobicContact CB-CE 4.22Å; F661-M885 HydrophobicContact CB-SD 4.02Å; F661-M885 HydrophobicContact CD1-SD 3.46Å; F661-M885 WeakPolarHBondContact CD1-SD 3.41Å; F661-M885 HydrophobicContact CD2-SD 4Å; F661-M885 HydrophobicContact CE1-SD 3.84Å; F661-M885 HydrophobicContact CE2-SD 4.33Å; F661-M885 HydrophobicContact CG-CE 4.3Å; F661-M885 HydrophobicContact CG-SD 3.55Å; F661-M885 VanDerWaalsContact CG-SD 3.55Å; F661-M885 HydrophobicContact CZ-SD 4.25Å; A881-M885 PolarHBondContact O-N 3.05Å; L882-M885 PolarHBondContact O-N 3.02Å; M885-Y887 VanDerWaalsContact C-N 3.3Å; M885-Y887 PolarHBondContact O-N 3.36Å; M885-Q888 PolarHBondContact O-N 3.24Å; M885-L933 HydrophobicContact CG-CD1 3.76Å; M885-L933 HydrophobicContact SD-CD1 3.97Å
886I86.8Confident81.9Confident89 Ų8950.7 Ų50.746%0.45627%0.269SS..Hα-helixtrans-65.7-35.2179.8-69.4164.4000111L882 S883 Q888 L889L882-I886 WeakPolarHBondContact O-CB 3.41Å; L882-I886 WeakPolarHBondContact O-CD1 3.39Å; L882-I886 VanDerWaalsContact O-CG1 3.26Å; L882-I886 WeakPolarHBondContact O-CG1 3.37Å; L882-I886 PolarHBondContact O-N 2.93Å; S883-I886 PolarHBondContact O-N 3.3Å; I886-Q888 PolarHBondContact O-N 2.96Å; I886-L889 PolarHBondContact O-N 3.28Å
887Y86.2Confident80.6Confident24 Ų2454.5 Ų54.59%0.09429%0.29CS..Hα-helixtrans-66.6-19.5177.7-164.3-108.5000114S883 M885 V892 L895 K922S883-Y887 WeakPolarHBondContact O-CB 3.15Å; S883-Y887 PolarHBondContact O-N 3.38Å; S883-Y887 VanDerWaalsContact O-N 3.12Å; M885-Y887 VanDerWaalsContact C-N 3.3Å; M885-Y887 PolarHBondContact O-N 3.36Å; Y887-V892 HydrophobicContact CD2-CG1 4.01Å; Y887-V892 HydrophobicContact CE2-CG1 4.13Å; Y887-L895 HydrophobicContact CE2-CD1 3.74Å; Y887-K922 HydrophobicContact CD1-CB 4.4Å; Y887-K922 HydrophobicContact CE1-CB 3.97Å
888Q85Confident79.1Confident32 Ų3260.2 Ų60.215%0.1532%0.319CS..THydrogen-bonded Turntrans-86.91.6177.1-56.8-63.3-3.900113.8P653 M885 I886 K921 E923 M932P653-Q888 HydrophobicContact CG-CB 3.99Å; M885-Q888 PolarHBondContact O-N 3.24Å; I886-Q888 PolarHBondContact O-N 2.96Å; Q888-K921 PolarHBondContact NE2-O 2.97Å; Q888-K921 VanDerWaalsContact NE2-O 3.15Å; Q888-E923 VanDerWaalsContact OE1-N 3.14Å; Q888-M932 HydrophobicContact CG-SD 4.23Å; Q888-M932 PolarHBondContact NE2-SD 3.09Å; Q888-M932 VanDerWaalsContact NE2-SD 3.4Å
889L80.1Confident77.4Confident18 Ų1867.1 Ų67.19%0.09436%0.356CS..SBendtrans-70.8137.5173.1-76.6163.5000110.7P653 I658 I886 I891 V892 K922P653-L889 WeakPolarHBondContact O-CD2 3.47Å; I658-L889 HydrophobicContact CD1-CD1 4.07Å; I658-L889 HydrophobicContact CD1-CD2 3.97Å; I658-L889 HydrophobicContact CD1-CG 4.09Å; I886-L889 PolarHBondContact O-N 3.28Å; L889-I891 HydrophobicContact CB-CG2 4.13Å; L889-I891 PolarHBondContact O-N 3.45Å; L889-I891 VanDerWaalsContact O-N 3.11Å; L889-V892 HydrophobicContact CB-CG2 4.28Å; L889-V892 PolarHBondContact O-N 3.44Å; L889-K922 PolarHBondContact O-NZ 3.22Å
890D74.4Confident75.8Confident144 Ų14467.6 Ų67.677%0.7735%0.35SS*.THydrogen-bonded Turntrans-58.6-27.9178.9-61.3-27.9000112.9V892D890-V892 PolarHBondContact O-N 2.96Å
891I75.8Confident74.2Confident97 Ų9770.4 Ų70.450%0.49738%0.38SS..THydrogen-bonded Turntrans-69.6-9.7178.4-147.3167.7000114W722 L889W722-I891 HydrophobicContact CD2-CD1 4.39Å; W722-I891 HydrophobicContact CH2-CD1 3.9Å; W722-I891 HydrophobicContact CZ2-CD1 3.47Å; W722-I891 VanDerWaalsContact CZ2-CD1 3.47Å; L889-I891 HydrophobicContact CB-CG2 4.13Å; L889-I891 PolarHBondContact O-N 3.45Å; L889-I891 VanDerWaalsContact O-N 3.11Å
892V74.6Confident72.5Confident33 Ų3378.2 Ų78.220%0.243%0.427CS..SBendtrans-98.7117.9179-1770000109.8Y887 L889 D890 K922Y887-V892 HydrophobicContact CD2-CG1 4.01Å; Y887-V892 HydrophobicContact CE2-CG1 4.13Å; L889-V892 HydrophobicContact CB-CG2 4.28Å; L889-V892 PolarHBondContact O-N 3.44Å; D890-V892 PolarHBondContact O-N 2.96Å; V892-K922 PolarHBondContact O-NZ 3.01Å
893P71.3Confident70.9Confident96 Ų9677.8 Ų77.862%0.62344%0.436SS*.  trans-69.1152.8179.729.6-35.4000111.8L895P893-L895 PolarHBondContact O-N 2.99Å
894E68.3Low69.3Low83 Ų8377 Ų7739%0.38843%0.433SS..  trans-76.6102.9-178.5-144.4-159.6147.200110.6S896 Q897 K922E894-S896 WeakPolarHBondContact CG-OG 3.29Å; E894-S896 PolarHBondContact O-N 3.39Å; E894-S896 VanDerWaalsContact O-N 3.08Å; E894-S896 PolarHBondContact OE1-OG 2.93Å; E894-Q897 HydrophobicContact CB-CG 4.28Å; E894-Q897 PolarHBondContact O-N 2.92Å; E894-Q897 VanDerWaalsContact O-N 3.09Å; E894-Q897 PolarHBondContact OE2-NE2 3.29Å; E894-K922 HydrophobicContact CG-CB 4.37Å; E894-K922 HydrophobicContact CG-CD 4.43Å
895L69.2Low67.8Low84 Ų8484 Ų8444%0.4447%0.471SS..G310 helixtrans-65.9-11.2-177.1-78105.1000114.3Y887 P893 Q897 I898 P915Y887-L895 HydrophobicContact CE2-CD1 3.74Å; P893-L895 PolarHBondContact O-N 2.99Å; L895-Q897 PolarHBondContact O-N 3.39Å; L895-I898 HydrophobicContact CB-CD1 4.37Å; L895-I898 HydrophobicContact CD2-CD1 4.13Å; L895-I898 HydrophobicContact CG-CD1 4.02Å; L895-P915 HydrophobicContact CB-CG 3.89Å
896S64.3Low66.5Low41 Ų4191.2 Ų91.229%0.28751%0.51SS..G310 helixtrans-64.6-22.3170.853.40000113.4E894E894-S896 WeakPolarHBondContact CG-OG 3.29Å; E894-S896 PolarHBondContact O-N 3.39Å; E894-S896 VanDerWaalsContact O-N 3.08Å; E894-S896 PolarHBondContact OE1-OG 2.93Å
897Q62.7Low65.3Low148 Ų14888.9 Ų88.969%0.69250%0.501SS*.G310 helixtrans-96.31.5-175.9-56.8-173.313.800113.6E894 L895E894-Q897 HydrophobicContact CB-CG 4.28Å; E894-Q897 PolarHBondContact O-N 2.92Å; E894-Q897 VanDerWaalsContact O-N 3.09Å; E894-Q897 PolarHBondContact OE2-NE2 3.29Å; L895-Q897 PolarHBondContact O-N 3.39Å
898I60.2Low64Low120 Ų12092.6 Ų92.662%0.61553%0.53SS*.SBendtrans-79.5129.9-179.7-60.1177.7000109.5L895 R900L895-I898 HydrophobicContact CB-CD1 4.37Å; L895-I898 HydrophobicContact CD2-CD1 4.13Å; L895-I898 HydrophobicContact CG-CD1 4.02Å; I898-R900 PolarHBondContact O-N 3.35Å
899D53.8Low62.8Low157 Ų15793.7 Ų93.784%0.8454%0.536SS*.  trans-51.5122-157.6-142.5-5.8000115.3G901D899-G901 PolarHBondContact O-N 2.91Å
900R54.8Low61.8Low122 Ų12294.9 Ų94.946%0.4655%0.552SS.*  trans-75.2110.4173-71.9179.4171.5139.6-2.3108.3I898 A904 N911 D1065I898-R900 PolarHBondContact O-N 3.35Å; R900-A904 HydrophobicContact CB-CB 3.9Å; R900-N911 PolarHBondContact NH2-O 3.15Å; R900-N911 VanDerWaalsContact NH2-O 3.16Å; R900-D1065 IonicContact CZ-OD1 2.73Å; R900-D1065 IonicContact NE-OD1 3.28Å; R900-D1065 PolarHBondContact NE-OD1 3.12Å; R900-D1065 IonicContact NH2-OD1 2.78Å
901G55.5Low61.2Low60 Ų6094.8 Ų94.862%0.61955%0.551SS**  trans-52.5150.2-172.900000115.1D899 G903 A904D899-G901 PolarHBondContact O-N 2.91Å; G901-G903 PolarHBondContact O-N 3.42Å; G901-A904 PolarHBondContact O-N 3.44Å
902V51Low60.8Low166 Ų16693.6 Ų93.6100%1.00655%0.545SS*.THydrogen-bonded Turntrans-51.4102-175.3-173.40000111.5
903G54.2Low60.6Low50 Ų5092.7 Ų92.752%0.51554%0.541SS..THydrogen-bonded Turntrans147.1-21.2-17400000114.5G901 D905G901-G903 PolarHBondContact O-N 3.42Å; G903-D905 VanDerWaalsContact C-N 3.28Å; G903-D905 PolarHBondContact O-N 3.24Å
904A53.4Low60.8Low28 Ų2892.8 Ų92.823%0.23153%0.534CS..G310 helixtrans-63.7-25-177.700000115.1R900 G901 N906 C907R900-A904 HydrophobicContact CB-CB 3.9Å; G901-A904 PolarHBondContact O-N 3.44Å; A904-N906 PolarHBondContact O-N 3.12Å; A904-C907 VanDerWaalsContact O-CB 3.31Å; A904-C907 WeakPolarHBondContact O-CB 3.23Å; A904-C907 PolarHBondContact O-N 3.47Å; A904-C907 PolarHBondContact O-SG 3Å
905D57.2Low61.3Low165 Ų16590 Ų9088%0.88252%0.523SS*.G310 helixtrans-65.1-23.1-175.6-61-31.1000114.2G903 C907G903-D905 VanDerWaalsContact C-N 3.28Å; G903-D905 PolarHBondContact O-N 3.24Å; D905-C907 VanDerWaalsContact C-N 3.3Å
906N58.5Low61.7Low158 Ų15889.2 Ų89.285%0.84552%0.517SS*.G310 helixtrans-84.1-2.8175.7-81.4-13.7000113.2A904 S908A904-N906 PolarHBondContact O-N 3.12Å; N906-S908 PolarHBondContact O-N 2.77Å
907C60.9Low62.6Low40 Ų4090.2 Ų90.227%0.2751%0.514SS..  trans-90.693-174.8-49.80000110.7A904 D905 H909 C1067A904-C907 VanDerWaalsContact O-CB 3.31Å; A904-C907 WeakPolarHBondContact O-CB 3.23Å; A904-C907 PolarHBondContact O-N 3.47Å; A904-C907 PolarHBondContact O-SG 3Å; D905-C907 VanDerWaalsContact C-N 3.3Å; C907-H909 PolarHBondContact O-N 2.87Å; C907-C1067 HydrophobicContact CB-CB 4.05Å; C907-C1067 WeakPolarHBondContact CB-SG 3.33Å; C907-C1067 WeakPolarHBondContact SG-CB 3.46Å; C907-C1067 CovalentContact SG-SG 2.03Å; C907-C1067 PolarHBondContact SG-SG 3.37Å
908S59.8Low63.6Low102 Ų10287 Ų8771%0.71350%0.499SS*.  trans-65.22.1178.657.50000115.4N906 G910N906-S908 PolarHBondContact O-N 2.77Å; S908-G910 PolarHBondContact O-N 3.25Å
909H59.5Low64.6Low56 Ų5681.6 Ų81.626%0.25947%0.472SS..SBendtrans-101.944-158.9-62.8-55.4000114.1C907 E1069 Y1096C907-H909 PolarHBondContact O-N 2.87Å; H909-E1069 IonicContact CD2-OE1 3.93Å; H909-E1069 IonicContact CE1-OE1 2.8Å; H909-E1069 IonicContact NE2-OE1 3.84Å; H909-E1069 PolarHBondContact NE2-OE1 3.46Å; H909-Y1096 HydrophobicContact CB-CD2 3.86Å; H909-Y1096 HydrophobicContact CB-CG 3.86Å
910G58.6Low65.9Low42 Ų4276.1 Ų76.143%0.43344%0.443SS..  trans92.6152.2164.700000116.8S908 I912S908-G910 PolarHBondContact O-N 3.25Å; G910-I912 PolarHBondContact O-N 3.09Å
911N62.3Low67Low143 Ų14375.1 Ų75.177%0.76544%0.442SS*.  trans-86.42.3-170.6-77.5-11.7000115.9R900 S913R900-N911 PolarHBondContact NH2-O 3.15Å; R900-N911 VanDerWaalsContact NH2-O 3.16Å; N911-S913 PolarHBondContact O-N 3.44Å
912I66.8Low68.1Low72 Ų7274.9 Ų74.937%0.36942%0.423SS..  trans-71.5118.8-168.9-57.3171.8000110.4G910 E916 W917 P1064G910-I912 PolarHBondContact O-N 3.09Å; I912-E916 HydrophobicContact CG2-CB 4Å; I912-E916 HydrophobicContact CG2-CG 4.07Å; I912-W917 HydrophobicContact CG2-CB 4.37Å; I912-P1064 HydrophobicContact CB-CG 3.93Å; I912-P1064 WeakPolarHBondContact O-CG 3.33Å
913S70.6Confident69.1Low14 Ų1470.8 Ų70.810%0.09839%0.393CS..  trans-77.5158.1179.465.90000113N911 E916 W917 D1065N911-S913 PolarHBondContact O-N 3.44Å; S913-E916 WeakPolarHBondContact O-CA 3.42Å; S913-E916 WeakPolarHBondContact O-CB 3.42Å; S913-E916 PolarHBondContact O-N 3.17Å; S913-W917 PolarHBondContact O-N 2.72Å; S913-D1065 WeakPolarHBondContact CA-OD2 3.47Å
914M76.2Confident69.7Low98 Ų9874 Ų7448%0.48340%0.402SS..Hα-helixtrans-55.6-42.6179-167.1-80.9171.800113.9E916 W917 F918 D1065M914-E916 VanDerWaalsContact C-N 3.28Å; M914-E916 PolarHBondContact O-N 3.09Å; M914-W917 HydrophobicContact CE-CE3 4.47Å; M914-W917 HydrophobicContact CE-CZ3 4.43Å; M914-W917 PolarHBondContact O-N 3.39Å; M914-F918 WeakPolarHBondContact O-CB 3.47Å; M914-F918 PolarHBondContact O-N 3.25Å; M914-D1065 PolarHBondContact N-OD2 3.27Å
915P78.1Confident70Confident24 Ų2482 Ų8216%0.15644%0.435CS..Hα-helixtrans-59.9-36171.5-24.135.2000113.3L895 F918 G919 L920L895-P915 HydrophobicContact CB-CG 3.89Å; P915-F918 PolarHBondContact O-N 2.92Å; P915-G919 PolarHBondContact O-N 3.45Å; P915-L920 CarbonylContact C-O 3.56Å; P915-L920 PolarHBondContact O-N 3.21Å
916E77.5Confident70.1Confident68 Ų6878.1 Ų78.132%0.31843%0.434SS..Hα-helixtrans-73-42.5179.3-169167.4-143.300111.9I912 S913 M914 F918 G919 K921I912-E916 HydrophobicContact CG2-CB 4Å; I912-E916 HydrophobicContact CG2-CG 4.07Å; S913-E916 WeakPolarHBondContact O-CA 3.42Å; S913-E916 WeakPolarHBondContact O-CB 3.42Å; S913-E916 PolarHBondContact O-N 3.17Å; M914-E916 VanDerWaalsContact C-N 3.28Å; M914-E916 PolarHBondContact O-N 3.09Å; E916-F918 VanDerWaalsContact C-N 3.26Å; E916-F918 PolarHBondContact O-N 3.13Å; E916-G919 WeakPolarHBondContact O-CA 3.39Å; E916-G919 PolarHBondContact O-N 3.49Å; E916-G919 VanDerWaalsContact O-N 3.09Å; E916-K921 IonicContact OE1-NZ 2.65Å; E916-K921 PolarHBondContact OE1-NZ 3.22Å
917W81.9Confident70.3Confident61 Ų6174.3 Ų74.323%0.23142%0.416CS..Hα-helixtrans-57.9-38.2170.1176.386.2000112A846 I912 S913 M914 V1060 P1063A846-W917 HydrophobicContact CB-CD2 4.3Å; A846-W917 HydrophobicContact CB-CE3 4.04Å; A846-W917 HydrophobicContact CB-CH2 3.78Å; A846-W917 HydrophobicContact CB-CZ2 4.05Å; A846-W917 HydrophobicContact CB-CZ3 3.78Å; A846-W917 PolarHBondContact N-O 3.4Å; I912-W917 HydrophobicContact CG2-CB 4.37Å; S913-W917 PolarHBondContact O-N 2.72Å; M914-W917 HydrophobicContact CE-CE3 4.47Å; M914-W917 HydrophobicContact CE-CZ3 4.43Å; M914-W917 PolarHBondContact O-N 3.39Å; W917-V1060 HydrophobicContact CZ2-CG1 4.11Å; W917-V1060 PolarHBondContact NE1-O 3.24Å; W917-P1063 HydrophobicContact CD2-CB 4.16Å; W917-P1063 HydrophobicContact CG-CB 4.38Å
918F84.7Confident70.8Confident82 Ų8276.4 Ų76.436%0.3642%0.422SS..Hα-helixtrans-68.4-42.2173.5-164.5-104.8000111.9A846 L847 M914 P915 E916 L920A846-F918 HydrophobicContact CB-CD2 4.41Å; L847-F918 VanDerWaalsContact CB-O 3.24Å; L847-F918 WeakPolarHBondContact CB-O 3.32Å; L847-F918 HydrophobicContact CD1-CE1 3.87Å; L847-F918 HydrophobicContact CD1-CZ 4.14Å; L847-F918 PolarHBondContact N-O 3.44Å; L847-F918 VanDerWaalsContact N-O 3.11Å; M914-F918 WeakPolarHBondContact O-CB 3.47Å; M914-F918 PolarHBondContact O-N 3.25Å; P915-F918 PolarHBondContact O-N 2.92Å; E916-F918 VanDerWaalsContact C-N 3.26Å; E916-F918 PolarHBondContact O-N 3.13Å; F918-L920 HydrophobicContact CD1-CD1 4.07Å; F918-L920 HydrophobicContact CD1-CG 4.18Å; F918-L920 HydrophobicContact CE1-CD1 4.44Å
919G80.1Confident71.6Confident6 Ų672.6 Ų72.66%0.06240%0.395CS..THydrogen-bonded Turntrans118.722.5176.800000115.4N845 P915 E916N845-G919 WeakPolarHBondContact ND2-CA 3.13Å; P915-G919 PolarHBondContact O-N 3.45Å; E916-G919 WeakPolarHBondContact O-CA 3.39Å; E916-G919 PolarHBondContact O-N 3.49Å; E916-G919 VanDerWaalsContact O-N 3.09Å
920L82.4Confident72.6Confident42 Ų4272.6 Ų72.622%0.2240%0.396CS..  trans-109.3108.4175.2-65174.3000109.7K884 P915 F918K884-L920 HydrophobicContact CG-CD2 4.45Å; P915-L920 CarbonylContact C-O 3.56Å; P915-L920 PolarHBondContact O-N 3.21Å; F918-L920 HydrophobicContact CD1-CD1 4.07Å; F918-L920 HydrophobicContact CD1-CG 4.18Å; F918-L920 HydrophobicContact CE1-CD1 4.44Å
921K78.1Confident73.7Confident101 Ų10179.1 Ų79.144%0.43941%0.409SS..  trans-124.9134.9-180-173.5169.4-172.6151.30109.5Q888 E916 M932Q888-K921 PolarHBondContact NE2-O 2.97Å; Q888-K921 VanDerWaalsContact NE2-O 3.15Å; E916-K921 IonicContact OE1-NZ 2.65Å; E916-K921 PolarHBondContact OE1-NZ 3.22Å; K921-M932 WeakPolarHBondContact O-CE 3.25Å
922K77.6Confident74.5Confident54 Ų5474 Ų7424%0.23538%0.381CS..PPolyproline II helixtrans-83.8125.8170.2-152.3169.7-172.9175.70106Y887 L889 V892 E894Y887-K922 HydrophobicContact CD1-CB 4.4Å; Y887-K922 HydrophobicContact CE1-CB 3.97Å; L889-K922 PolarHBondContact O-NZ 3.22Å; V892-K922 PolarHBondContact O-NZ 3.01Å; E894-K922 HydrophobicContact CG-CB 4.37Å; E894-K922 HydrophobicContact CG-CD 4.43Å
923E72.6Confident75.4Confident81 Ų8170.6 Ų70.638%0.37936%0.364SS..PPolyproline II helixtrans-87.7156.9-175.6-66.9-68.7173.400110.2Q888 T927Q888-E923 VanDerWaalsContact OE1-N 3.14Å; E923-T927 VanDerWaalsContact CB-OG1 3.31Å; E923-T927 WeakPolarHBondContact CB-OG1 3.36Å
924V66.2Low76.1Confident116 Ų11676.3 Ų76.370%0.70339%0.387SS*.PPolyproline II helixtrans-65.8142.9-176.9-176.10000110.6G926 T927V924-G926 PolarHBondContact O-N 3.37Å; V924-T927 PolarHBondContact O-N 3.48Å; V924-T927 PolarHBondContact O-OG1 3.38Å
925E59.3Low76.5Confident198 Ų19872.8 Ų72.893%0.92538%0.376SS*.THydrogen-bonded Turntrans-45.2123.2177.1-67.9-176.8162.800111.7
926G59.5Low76.9Confident82 Ų8271.8 Ų71.885%0.84537%0.37SS*.THydrogen-bonded Turntrans104.5-6.8177.600000116.5V924V924-G926 PolarHBondContact O-N 3.37Å
927T64.2Low77.4Confident78 Ų7869.3 Ų69.348%0.47936%0.358SS..  trans-80.4126.3172.358.30000112.4E923 V924E923-T927 VanDerWaalsContact CB-OG1 3.31Å; E923-T927 WeakPolarHBondContact CB-OG1 3.36Å; V924-T927 PolarHBondContact O-N 3.48Å; V924-T927 PolarHBondContact O-OG1 3.38Å
928E70.5Confident77.6Confident85 Ų8569.1 Ų69.140%0.39736%0.364SS..  trans-66.7136.4177.8-67.9-178.1-162.500112.4I930 Y931E928-I930 HydrophobicContact CB-CG2 3.85Å; E928-I930 PolarHBondContact O-N 2.92Å; E928-Y931 HydrophobicContact CB-CD2 4.13Å; E928-Y931 HydrophobicContact CB-CE2 4.21Å; E928-Y931 PolarHBondContact O-N 3Å; E928-Y931 VanDerWaalsContact O-N 3.15Å
929P76.6Confident77.8Confident22 Ų2265.3 Ų65.314%0.14335%0.347CS..Hα-helixtrans-52.2-22.4177.9-30.134.9000115.8T649 Y931 M932 L933T649-P929 WeakPolarHBondContact O-CD 3.3Å; P929-Y931 VanDerWaalsContact C-N 3.31Å; P929-Y931 PolarHBondContact O-N 3.27Å; P929-M932 PolarHBondContact O-N 3.25Å; P929-L933 WeakPolarHBondContact O-CG 3.18Å; P929-L933 PolarHBondContact O-N 3.47Å
930I80.2Confident78.2Confident55 Ų5565.1 Ų65.128%0.28235%0.345SS..Hα-helixtrans-59.4-36.2178.6-164.2167.8000113.2E928 F934E928-I930 HydrophobicContact CB-CG2 3.85Å; E928-I930 PolarHBondContact O-N 2.92Å; I930-F934 WeakPolarHBondContact O-CA 3.27Å; I930-F934 WeakPolarHBondContact O-CB 3.48Å; I930-F934 PolarHBondContact O-N 3.39Å
931Y81.6Confident78.4Confident179 Ų17967.3 Ų67.370%0.70236%0.356SS*.Hα-helixtrans-70.5-45.8-178.7-66.8-77000111.6E928 P929 L933 F934E928-Y931 HydrophobicContact CB-CD2 4.13Å; E928-Y931 HydrophobicContact CB-CE2 4.21Å; E928-Y931 PolarHBondContact O-N 3Å; E928-Y931 VanDerWaalsContact O-N 3.15Å; P929-Y931 VanDerWaalsContact C-N 3.31Å; P929-Y931 PolarHBondContact O-N 3.27Å; Y931-L933 PolarHBondContact O-N 2.83Å; Y931-F934 PolarHBondContact O-N 3.26Å
932M80.2Confident78.9Confident36 Ų3663.1 Ų63.118%0.17734%0.34CS..Hα-helixtrans-60.3-33.3177.7-165.5-154-165.900112.7K884 Q888 K921 P929K884-M932 HydrophobicContact CB-CE 3.75Å; K884-M932 HydrophobicContact CB-SD 3.86Å; K884-M932 HydrophobicContact CD-CE 3.83Å; K884-M932 HydrophobicContact CD-CG 4.41Å; K884-M932 HydrophobicContact CD-SD 4.22Å; K884-M932 HydrophobicContact CG-CE 3.73Å; K884-M932 HydrophobicContact CG-SD 4.35Å; Q888-M932 HydrophobicContact CG-SD 4.23Å; Q888-M932 PolarHBondContact NE2-SD 3.09Å; Q888-M932 VanDerWaalsContact NE2-SD 3.4Å; K921-M932 WeakPolarHBondContact O-CE 3.25Å; P929-M932 PolarHBondContact O-N 3.25Å
933L84.4Confident79.4Confident1 Ų160.6 Ų60.61%0.00533%0.329CS..Hα-helixtrans-99-7.7-175.4-64.9175.8000114.3F661 A881 K884 M885 P929 Y931 G935 V936 I937F661-L933 HydrophobicContact CE2-CD1 4.38Å; F661-L933 HydrophobicContact CZ-CD1 4.34Å; A881-L933 HydrophobicContact CB-CD2 4.04Å; K884-L933 HydrophobicContact CB-CD2 4.17Å; M885-L933 HydrophobicContact CG-CD1 3.76Å; M885-L933 HydrophobicContact SD-CD1 3.97Å; P929-L933 WeakPolarHBondContact O-CG 3.18Å; P929-L933 PolarHBondContact O-N 3.47Å; Y931-L933 PolarHBondContact O-N 2.83Å; L933-G935 PolarHBondContact O-N 3.5Å; L933-V936 WeakPolarHBondContact O-CA 3.41Å; L933-V936 WeakPolarHBondContact O-CB 3.48Å; L933-V936 PolarHBondContact O-N 3.32Å; L933-I937 HydrophobicContact CB-CD1 3.73Å; L933-I937 HydrophobicContact CB-CG1 4.14Å; L933-I937 WeakPolarHBondContact O-CG1 3.33Å; L933-I937 PolarHBondContact O-N 2.83Å
934F86.6Confident79.9Confident133 Ų13357.3 Ų57.358%0.58332%0.315SS*.Hα-helixtrans-52.9-53.3-167.8-176.9-102.5000114I930 Y931 V936 I937 V938I930-F934 WeakPolarHBondContact O-CA 3.27Å; I930-F934 WeakPolarHBondContact O-CB 3.48Å; I930-F934 PolarHBondContact O-N 3.39Å; Y931-F934 PolarHBondContact O-N 3.26Å; F934-V936 VanDerWaalsContact C-N 3.26Å; F934-V936 PolarHBondContact O-N 3.3Å; F934-I937 PolarHBondContact O-N 2.8Å; F934-V938 HydrophobicContact CD1-CG2 4.32Å; F934-V938 HydrophobicContact CE1-CG2 3.95Å; F934-V938 HydrophobicContact CE2-CG2 4.16Å; F934-V938 HydrophobicContact CZ-CG2 3.86Å; F934-V938 WeakPolarHBondContact O-CG2 3.49Å; F934-V938 PolarHBondContact O-N 2.75Å
935G83.5Confident80.9Confident25 Ų2555 Ų5526%0.25830%0.296SS..Hα-helixtrans-63.4-30.5179.800000113.8L933 S939L933-G935 PolarHBondContact O-N 3.5Å; G935-S939 WeakPolarHBondContact O-CB 3.43Å; G935-S939 PolarHBondContact O-N 3.39Å; G935-S939 VanDerWaalsContact O-N 3.11Å; G935-S939 PolarHBondContact O-OG 3.22Å
936V87.7Confident82.3Confident3 Ų346 Ų462%0.01825%0.254CS..Hα-helixtrans-73.2-45.3175.7-178.50000110.2F839 L877 A881 L933 F934 V938 S939 I940F839-V936 HydrophobicContact CE2-CG2 4.36Å; F839-V936 HydrophobicContact CZ-CG2 3.88Å; L877-V936 HydrophobicContact CB-CG1 4.15Å; L877-V936 HydrophobicContact CD2-CG1 4.21Å; L877-V936 WeakPolarHBondContact O-CG1 3.26Å; A881-V936 HydrophobicContact CB-CG1 4.11Å; L933-V936 WeakPolarHBondContact O-CA 3.41Å; L933-V936 WeakPolarHBondContact O-CB 3.48Å; L933-V936 PolarHBondContact O-N 3.32Å; F934-V936 VanDerWaalsContact C-N 3.26Å; F934-V936 PolarHBondContact O-N 3.3Å; V936-V938 PolarHBondContact O-N 2.86Å; V936-S939 PolarHBondContact O-N 3.06Å; V936-I940 HydrophobicContact CG1-CD1 3.82Å; V936-I940 VanDerWaalsContact O-CG1 3.28Å; V936-I940 WeakPolarHBondContact O-CG1 3.24Å; V936-I940 PolarHBondContact O-N 2.91Å
937I87Confident83.4Confident15 Ų1542.6 Ų42.68%0.07722%0.217CC..Hα-helixtrans-60.5-45.5175.8-68.1167.3000110.9W664 L933 F934 S939 I940 I941W664-I937 HydrophobicContact CH2-CG2 4.43Å; L933-I937 HydrophobicContact CB-CD1 3.73Å; L933-I937 HydrophobicContact CB-CG1 4.14Å; L933-I937 WeakPolarHBondContact O-CG1 3.33Å; L933-I937 PolarHBondContact O-N 2.83Å; F934-I937 PolarHBondContact O-N 2.8Å; I937-S939 VanDerWaalsContact C-N 3.35Å; I937-S939 PolarHBondContact O-N 3.05Å; I937-I940 PolarHBondContact O-N 3.23Å; I937-I941 HydrophobicContact CG2-CD1 3.74Å; I937-I941 HydrophobicContact CG2-CG1 4.43Å; I937-I941 VanDerWaalsContact O-CG1 3.3Å; I937-I941 WeakPolarHBondContact O-CG1 3.16Å; I937-I941 PolarHBondContact O-N 3.03Å
938V87.6Confident84.4Confident57 Ų5741.8 Ų41.835%0.34521%0.209SC..Hα-helixtrans-60.5-43.8176.3170.70000111.2I835 F934 V936 I941 A942I835-V938 HydrophobicContact CG2-CG1 4.39Å; F934-V938 HydrophobicContact CD1-CG2 4.32Å; F934-V938 HydrophobicContact CE1-CG2 3.95Å; F934-V938 HydrophobicContact CE2-CG2 4.16Å; F934-V938 HydrophobicContact CZ-CG2 3.86Å; F934-V938 WeakPolarHBondContact O-CG2 3.49Å; F934-V938 PolarHBondContact O-N 2.75Å; V936-V938 PolarHBondContact O-N 2.86Å; V938-I941 PolarHBondContact O-N 3.1Å; V938-A942 WeakPolarHBondContact O-CB 3.41Å; V938-A942 PolarHBondContact O-N 3Å
939S88Confident85.1Confident2 Ų237.7 Ų37.71%0.01419%0.19CC..Hα-helixtrans-63.6-41.8177-61.40000112.3G935 V936 I937 A942 L943G935-S939 WeakPolarHBondContact O-CB 3.43Å; G935-S939 PolarHBondContact O-N 3.39Å; G935-S939 VanDerWaalsContact O-N 3.11Å; G935-S939 PolarHBondContact O-OG 3.22Å; V936-S939 PolarHBondContact O-N 3.06Å; I937-S939 VanDerWaalsContact C-N 3.35Å; I937-S939 PolarHBondContact O-N 3.05Å; S939-A942 PolarHBondContact O-N 2.89Å; S939-L943 WeakPolarHBondContact O-CB 3.36Å; S939-L943 VanDerWaalsContact O-CG 3.31Å; S939-L943 WeakPolarHBondContact O-CG 3.23Å; S939-L943 PolarHBondContact O-N 3.15Å
940I87.9Confident85.3Confident2 Ų239.9 Ų39.91%0.0120%0.2CC..Hα-helixtrans-62.9-44174.7-70.9163.2000111.1W664 L668 L877 F878 V936 I937 L943 A944W664-I940 HydrophobicContact CH2-CG2 4.42Å; L668-I940 HydrophobicContact CD1-CG2 3.94Å; L877-I940 HydrophobicContact CB-CD1 4.35Å; L877-I940 HydrophobicContact CB-CG1 4.07Å; F878-I940 HydrophobicContact CD1-CD1 3.75Å; F878-I940 HydrophobicContact CE1-CD1 3.78Å; F878-I940 HydrophobicContact CE1-CG1 4.29Å; F878-I940 HydrophobicContact CE1-CG2 3.72Å; F878-I940 HydrophobicContact CE2-CG2 4.5Å; F878-I940 HydrophobicContact CG-CD1 4.44Å; F878-I940 HydrophobicContact CZ-CD1 4.49Å; F878-I940 HydrophobicContact CZ-CG2 3.6Å; V936-I940 HydrophobicContact CG1-CD1 3.82Å; V936-I940 VanDerWaalsContact O-CG1 3.28Å; V936-I940 WeakPolarHBondContact O-CG1 3.24Å; V936-I940 PolarHBondContact O-N 2.91Å; I937-I940 PolarHBondContact O-N 3.23Å; I940-L943 PolarHBondContact O-N 3.45Å; I940-A944 WeakPolarHBondContact O-CB 3.31Å; I940-A944 PolarHBondContact O-N 3.12Å
941I87Confident85.3Confident89 Ų8941.1 Ų41.146%0.45620%0.201SC..Hα-helixtrans-64.8-42.3177.4-69.6168.5000111I937 V938 L943 A944 F945I937-I941 HydrophobicContact CG2-CD1 3.74Å; I937-I941 HydrophobicContact CG2-CG1 4.43Å; I937-I941 VanDerWaalsContact O-CG1 3.3Å; I937-I941 WeakPolarHBondContact O-CG1 3.16Å; I937-I941 PolarHBondContact O-N 3.03Å; V938-I941 PolarHBondContact O-N 3.1Å; I941-L943 PolarHBondContact O-N 3.2Å; I941-A944 PolarHBondContact O-N 3.02Å; I941-F945 WeakPolarHBondContact O-CB 3.31Å; I941-F945 PolarHBondContact O-N 3.25Å
942A87.8Confident85.4Confident12 Ų1235.9 Ų35.910%0.09918%0.18CC..Hα-helixtrans-61.6-43.5176.500000111.7V832 I835 V938 S939 F945 Q946V832-A942 HydrophobicContact CG2-CB 4.34Å; I835-A942 HydrophobicContact CD1-CB 4.01Å; V938-A942 WeakPolarHBondContact O-CB 3.41Å; V938-A942 PolarHBondContact O-N 3Å; S939-A942 PolarHBondContact O-N 2.89Å; A942-F945 PolarHBondContact O-N 3.15Å; A942-Q946 PolarHBondContact O-N 3.34Å
943L88.4Confident85.5Confident2 Ų234.4 Ų34.41%0.0117%0.173CC..Hα-helixtrans-63.1-43.7173.3-72.4165000111.6K672 V832 M873 C874 L877 S939 I940 I941 Q946 S947K672-L943 WeakPolarHBondContact CE-O 3.34Å; K672-L943 PolarHBondContact NZ-O 3.44Å; V832-L943 HydrophobicContact CG1-CD2 3.84Å; V832-L943 HydrophobicContact CG1-CG 4.35Å; M873-L943 HydrophobicContact CB-CD1 4.44Å; C874-L943 HydrophobicContact CB-CD1 3.96Å; L877-L943 HydrophobicContact CD1-CD1 3.93Å; S939-L943 WeakPolarHBondContact O-CB 3.36Å; S939-L943 VanDerWaalsContact O-CG 3.31Å; S939-L943 WeakPolarHBondContact O-CG 3.23Å; S939-L943 PolarHBondContact O-N 3.15Å; I940-L943 PolarHBondContact O-N 3.45Å; I941-L943 PolarHBondContact O-N 3.2Å; L943-Q946 WeakPolarHBondContact O-CB 3.2Å; L943-Q946 PolarHBondContact O-N 3.45Å; L943-S947 PolarHBondContact O-N 2.7Å; L943-S947 PolarHBondContact O-OG 3.17Å
944A84.2Confident85.4Confident11 Ų1141.9 Ų41.99%0.09120%0.201CC..Hα-helixtrans-62.3-41.5176.300000112I940 I941 S947 I948I940-A944 WeakPolarHBondContact O-CB 3.31Å; I940-A944 PolarHBondContact O-N 3.12Å; I941-A944 PolarHBondContact O-N 3.02Å; A944-S947 PolarHBondContact O-N 3.38Å; A944-S947 PolarHBondContact O-OG 3.17Å; A944-I948 WeakPolarHBondContact O-CG1 3.28Å; A944-I948 PolarHBondContact O-N 3.37Å; A944-I948 VanDerWaalsContact O-N 3.09Å
945F86.6Confident85Confident68 Ų6841 Ų4130%0.29820%0.199SC..Hα-helixtrans-64.1-39.6176.5-172.6-109.6000112.4W821 F824 I828 I941 A942 S947 I948 V949W821-F945 HydrophobicContact CH2-CE2 4.36Å; W821-F945 HydrophobicContact CZ3-CE2 4.4Å; W821-F945 HydrophobicContact CZ3-CZ 4.28Å; F824-F945 HydrophobicContact CD1-CE1 4.45Å; F824-F945 HydrophobicContact CD2-CE1 4.42Å; F824-F945 HydrophobicContact CD2-CZ 4.42Å; F824-F945 HydrophobicContact CE1-CE1 4.41Å; F824-F945 HydrophobicContact CE2-CE1 4.35Å; F824-F945 HydrophobicContact CE2-CZ 4.28Å; F824-F945 HydrophobicContact CG-CE1 4.48Å; F824-F945 HydrophobicContact CZ-CE1 4.36Å; I828-F945 HydrophobicContact CD1-CD1 3.93Å; I828-F945 HydrophobicContact CD1-CE1 4.27Å; I941-F945 WeakPolarHBondContact O-CB 3.31Å; I941-F945 PolarHBondContact O-N 3.25Å; A942-F945 PolarHBondContact O-N 3.15Å; F945-S947 VanDerWaalsContact C-N 3.29Å; F945-S947 PolarHBondContact O-N 3.07Å; F945-I948 PolarHBondContact O-N 3.1Å; F945-V949 HydrophobicContact CD1-CG2 3.97Å; F945-V949 HydrophobicContact CE1-CG2 3.62Å; F945-V949 HydrophobicContact CE2-CG2 4.37Å; F945-V949 HydrophobicContact CG-CG2 4.47Å; F945-V949 HydrophobicContact CZ-CG2 3.84Å; F945-V949 WeakPolarHBondContact O-CG2 3.33Å; F945-V949 PolarHBondContact O-N 3.13Å
946Q88.3Confident84.7Confident10 Ų1043 Ų435%0.04720%0.199CC..Hα-helixtrans-52.9-45.2172-172.5-164.710.900111.9I828 V832 A942 L943 I950I828-Q946 HydrophobicContact CG1-CB 4.08Å; I828-Q946 HydrophobicContact CG1-CG 4.11Å; I828-Q946 HydrophobicContact CG2-CG 4.34Å; V832-Q946 HydrophobicContact CG2-CB 4.32Å; A942-Q946 PolarHBondContact O-N 3.34Å; L943-Q946 WeakPolarHBondContact O-CB 3.2Å; L943-Q946 PolarHBondContact O-N 3.45Å; Q946-I950 HydrophobicContact CG-CD1 4.18Å; Q946-I950 WeakPolarHBondContact O-CD1 3.26Å; Q946-I950 VanDerWaalsContact O-CG1 3.3Å; Q946-I950 WeakPolarHBondContact O-CG1 3.46Å; Q946-I950 PolarHBondContact O-N 2.95Å
947S83.4Confident84.4Confident10 Ų1044.7 Ų44.77%0.0721%0.205CC..Hα-helixtrans-65.9-39.8174.326.10000113K672 L943 A944 F945 I950 Y951K672-S947 VanDerWaalsContact CE-OG 3.22Å; K672-S947 WeakPolarHBondContact CE-OG 3.2Å; L943-S947 PolarHBondContact O-N 2.7Å; L943-S947 PolarHBondContact O-OG 3.17Å; A944-S947 PolarHBondContact O-N 3.38Å; A944-S947 PolarHBondContact O-OG 3.17Å; F945-S947 VanDerWaalsContact C-N 3.29Å; F945-S947 PolarHBondContact O-N 3.07Å; S947-I950 PolarHBondContact O-N 3.42Å; S947-Y951 WeakPolarHBondContact O-CB 3.23Å; S947-Y951 WeakPolarHBondContact O-CD2 3.31Å; S947-Y951 PolarHBondContact O-N 3.41Å
948I84.5Confident83.9Confident60 Ų6048 Ų4831%0.30823%0.234SC..Hα-helixtrans-62.9-44.8178.2-66.8166.1000111.2L671 A944 F945 I950 Y951 R952L671-I948 HydrophobicContact CD2-CD1 4.37Å; L671-I948 HydrophobicContact CD2-CG1 4.48Å; A944-I948 WeakPolarHBondContact O-CG1 3.28Å; A944-I948 PolarHBondContact O-N 3.37Å; A944-I948 VanDerWaalsContact O-N 3.09Å; F945-I948 PolarHBondContact O-N 3.1Å; I948-I950 PolarHBondContact O-N 3.27Å; I948-Y951 PolarHBondContact O-N 2.95Å; I948-R952 VanDerWaalsContact O-CB 3.29Å; I948-R952 WeakPolarHBondContact O-CB 3.3Å; I948-R952 PolarHBondContact O-N 2.93Å
949V85.6Confident83.2Confident0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-56.8-50.2175.6173.60000110.5W821 F824 F945 R952 Q953W821-V949 HydrophobicContact CE3-CB 4.48Å; W821-V949 HydrophobicContact CE3-CG1 4.4Å; W821-V949 HydrophobicContact CE3-CG2 4.09Å; W821-V949 HydrophobicContact CZ3-CB 4.31Å; W821-V949 HydrophobicContact CZ3-CG2 3.72Å; F824-V949 HydrophobicContact CB-CG1 4.15Å; F824-V949 HydrophobicContact CB-CG2 4.36Å; F945-V949 HydrophobicContact CD1-CG2 3.97Å; F945-V949 HydrophobicContact CE1-CG2 3.62Å; F945-V949 HydrophobicContact CE2-CG2 4.37Å; F945-V949 HydrophobicContact CG-CG2 4.47Å; F945-V949 HydrophobicContact CZ-CG2 3.84Å; F945-V949 WeakPolarHBondContact O-CG2 3.33Å; F945-V949 PolarHBondContact O-N 3.13Å; V949-R952 PolarHBondContact O-N 3.15Å; V949-Q953 PolarHBondContact O-N 3.47Å
950I81Confident82.6Confident67 Ų6753.4 Ų53.434%0.34427%0.267SS..Hα-helixtrans-66.4-44.6-177.6-66.7168.1000111.3Q946 S947 I948 Q953 R954Q946-I950 HydrophobicContact CG-CD1 4.18Å; Q946-I950 WeakPolarHBondContact O-CD1 3.26Å; Q946-I950 VanDerWaalsContact O-CG1 3.3Å; Q946-I950 WeakPolarHBondContact O-CG1 3.46Å; Q946-I950 PolarHBondContact O-N 2.95Å; S947-I950 PolarHBondContact O-N 3.42Å; I948-I950 PolarHBondContact O-N 3.27Å; I950-Q953 PolarHBondContact O-N 3.06Å; I950-R954 VanDerWaalsContact O-CB 3.32Å; I950-R954 WeakPolarHBondContact O-CB 3.39Å; I950-R954 PolarHBondContact O-N 2.99Å
951Y80.5Confident81.9Confident81 Ų8156.7 Ų56.732%0.31830%0.301SS..Hα-helixtrans-65.9-40.7177.4-70.4-46000112.3S947 I948 H955S947-Y951 WeakPolarHBondContact O-CB 3.23Å; S947-Y951 WeakPolarHBondContact O-CD2 3.31Å; S947-Y951 PolarHBondContact O-N 3.41Å; I948-Y951 PolarHBondContact O-N 2.95Å; Y951-H955 WeakPolarHBondContact O-CB 3.48Å; Y951-H955 PolarHBondContact O-N 3.18Å
952R83.4Confident81.4Confident69 Ų6955.8 Ų55.826%0.2630%0.297SS..Hα-helixtrans-59.6-51.2174.3-175.2-162.1-177-92.80.6110.8E818 W821 I948 V949 H955 Y956E818-R952 IonicContact OE1-CZ 2.69Å; E818-R952 IonicContact OE1-NH1 3.69Å; E818-R952 PolarHBondContact OE1-NH1 3.02Å; E818-R952 IonicContact OE1-NH2 3.98Å; E818-R952 PolarHBondContact OE1-NH2 3.48Å; E818-R952 IonicContact OE2-CZ 2.75Å; E818-R952 IonicContact OE2-NH1 2.83Å; E818-R952 PolarHBondContact OE2-NH1 3.12Å; E818-R952 IonicContact OE2-NH2 2.84Å; W821-R952 VanDerWaalsContact CD1-NH1 3.31Å; W821-R952 VanDerWaalsContact CD2-CD 3.49Å; W821-R952 VanDerWaalsContact CE2-CD 3.44Å; I948-R952 VanDerWaalsContact O-CB 3.29Å; I948-R952 WeakPolarHBondContact O-CB 3.3Å; I948-R952 PolarHBondContact O-N 2.93Å; V949-R952 PolarHBondContact O-N 3.15Å; R952-H955 PolarHBondContact O-N 2.93Å; R952-Y956 WeakPolarHBondContact O-CB 3.48Å; R952-Y956 PolarHBondContact O-N 3.26Å
953Q83Confident80.9Confident6 Ų658.7 Ų58.73%0.02832%0.315CS..Hα-helixtrans-68.2-36.3-177.3-76.6-58.4-17.500112.6V949 I950 Y956 R957V949-Q953 PolarHBondContact O-N 3.47Å; I950-Q953 PolarHBondContact O-N 3.06Å; Q953-Y956 PolarHBondContact O-N 3.25Å; Q953-R957 WeakPolarHBondContact O-CG 3.27Å; Q953-R957 PolarHBondContact O-N 3.09Å
954R81.3Confident80Confident157 Ų15765.4 Ų65.459%0.59235%0.346SS*.Hα-helixtrans-62.3-43.5171.2-176.7175-82.2173.2-6.8111.8I950 A958I950-R954 VanDerWaalsContact O-CB 3.32Å; I950-R954 WeakPolarHBondContact O-CB 3.39Å; I950-R954 PolarHBondContact O-N 2.99Å; R954-A958 VanDerWaalsContact O-CB 3.23Å; R954-A958 WeakPolarHBondContact O-CB 3.43Å; R954-A958 PolarHBondContact O-N 3.49Å
955H77.7Confident79.2Confident116 Ų11669.9 Ų69.954%0.53738%0.377SS..Hα-helixtrans-64.1-43.8174.7-178-79.9000112Y951 R952 A958 S959Y951-H955 WeakPolarHBondContact O-CB 3.48Å; Y951-H955 PolarHBondContact O-N 3.18Å; R952-H955 PolarHBondContact O-N 2.93Å; H955-A958 PolarHBondContact O-N 2.97Å; H955-S959 WeakPolarHBondContact O-CB 3.35Å; H955-S959 PolarHBondContact O-N 3.13Å; H955-S959 PolarHBondContact O-OG 3.48Å
956Y79Confident78.5Confident67 Ų6770 Ų7026%0.26338%0.379SS..Hα-helixtrans-60.7-50179.1-176.3-104.5000111.6R952 Q953 A958 S959 L960R952-Y956 WeakPolarHBondContact O-CB 3.48Å; R952-Y956 PolarHBondContact O-N 3.26Å; Q953-Y956 PolarHBondContact O-N 3.25Å; Y956-A958 PolarHBondContact O-N 3.13Å; Y956-S959 PolarHBondContact O-N 3.28Å; Y956-S959 PolarHBondContact O-OG 3.07Å; Y956-L960 HydrophobicContact CD1-CD1 4.11Å; Y956-L960 HydrophobicContact CD2-CD1 4.05Å; Y956-L960 HydrophobicContact CE1-CD1 3.63Å; Y956-L960 HydrophobicContact CE2-CD1 3.59Å; Y956-L960 HydrophobicContact CG-CD1 4.3Å; Y956-L960 PolarHBondContact O-N 3.26Å
957R80.3Confident77.7Confident38 Ų3875.8 Ų75.814%0.14340%0.401CS..Hα-helixtrans-61-43.3173.6-70.5-167.3-178.1105.112.2112.5E825 Q953 S959 L960 G961 L962E825-R957 IonicContact OE1-CZ 3.92Å; E825-R957 VanDerWaalsContact OE1-CZ 3.25Å; E825-R957 IonicContact OE1-NH1 2.62Å; E825-R957 PolarHBondContact OE1-NH1 2.77Å; E825-R957 IonicContact OE1-NH2 3.69Å; E825-R957 PolarHBondContact OE1-NH2 3.31Å; E825-R957 IonicContact OE2-CZ 2.73Å; E825-R957 IonicContact OE2-NH1 2.67Å; E825-R957 IonicContact OE2-NH2 2.68Å; E825-R957 PolarHBondContact OE2-NH2 3.36Å; Q953-R957 WeakPolarHBondContact O-CG 3.27Å; Q953-R957 PolarHBondContact O-N 3.09Å; R957-S959 VanDerWaalsContact C-N 3.29Å; R957-S959 PolarHBondContact O-N 3.42Å; R957-L960 CarbonylContact O-C 3.45Å; R957-L960 PolarHBondContact O-N 2.86Å; R957-L960 VanDerWaalsContact O-N 3.14Å; R957-G961 PolarHBondContact O-N 3.31Å; R957-L962 HydrophobicContact CG-CB 4.23Å; R957-L962 PolarHBondContact O-N 2.61Å
958A76.2Confident77.1Confident83 Ų8378.9 Ų78.969%0.68643%0.427SS*.Hα-helixtrans-63.3-33.7177.600000112.8R954 H955 Y956 L960R954-A958 VanDerWaalsContact O-CB 3.23Å; R954-A958 WeakPolarHBondContact O-CB 3.43Å; R954-A958 PolarHBondContact O-N 3.49Å; H955-A958 PolarHBondContact O-N 2.97Å; Y956-A958 PolarHBondContact O-N 3.13Å; A958-L960 VanDerWaalsContact C-N 3.3Å; A958-L960 PolarHBondContact O-N 3.34Å
959S72.9Confident76.8Confident77 Ų7780.5 Ų80.554%0.53843%0.432SS..Hα-helixtrans-76.5-12.2175.666.20000114.7H955 Y956 R957H955-S959 WeakPolarHBondContact O-CB 3.35Å; H955-S959 PolarHBondContact O-N 3.13Å; H955-S959 PolarHBondContact O-OG 3.48Å; Y956-S959 PolarHBondContact O-N 3.28Å; Y956-S959 PolarHBondContact O-OG 3.07Å; R957-S959 VanDerWaalsContact C-N 3.29Å; R957-S959 PolarHBondContact O-N 3.42Å
960L76.1Confident76.6Confident96 Ų9681 Ų8150%0.50344%0.435SS..Hα-helixtrans-124.9-8-174.6-69173.7000114.9Y956 R957 A958 L962Y956-L960 HydrophobicContact CD1-CD1 4.11Å; Y956-L960 HydrophobicContact CD2-CD1 4.05Å; Y956-L960 HydrophobicContact CE1-CD1 3.63Å; Y956-L960 HydrophobicContact CE2-CD1 3.59Å; Y956-L960 HydrophobicContact CG-CD1 4.3Å; Y956-L960 PolarHBondContact O-N 3.26Å; R957-L960 CarbonylContact O-C 3.45Å; R957-L960 PolarHBondContact O-N 2.86Å; R957-L960 VanDerWaalsContact O-N 3.14Å; A958-L960 VanDerWaalsContact C-N 3.3Å; A958-L960 PolarHBondContact O-N 3.34Å; L960-L962 HydrophobicContact CB-CD1 4.32Å; L960-L962 HydrophobicContact CB-CG 4.2Å; L960-L962 HydrophobicContact CD1-CD1 4.46Å
961G73.3Confident76.8Confident71 Ų7179.7 Ų79.773%0.73243%0.427SS*.THydrogen-bonded Turntrans73.725.4178.200000116R957R957-G961 PolarHBondContact O-N 3.31Å
962L77.2Confident76.4Confident71 Ų7177.8 Ų77.837%0.37242%0.424SS..  trans-85.9138.9-174.8-63.9171.9000113.5R957 L960 M966R957-L962 HydrophobicContact CG-CB 4.23Å; R957-L962 PolarHBondContact O-N 2.61Å; L960-L962 HydrophobicContact CB-CD1 4.32Å; L960-L962 HydrophobicContact CB-CG 4.2Å; L960-L962 HydrophobicContact CD1-CD1 4.46Å; L962-M966 HydrophobicContact CD2-CE 4.34Å
963P76.8Confident76.1Confident73 Ų7381.9 Ų81.947%0.47445%0.451SS..  trans-73.6153.7-178.229.8-36.8000114.5S965 M966P963-S965 PolarHBondContact O-N 3.44Å; P963-M966 HydrophobicContact CG-CE 3.6Å
964E69.3Low76Confident142 Ų14282.4 Ų82.466%0.66445%0.453SS*.G310 helixtrans-74-18.7-175.4-63.7-159.3143.300115.1M966 R967E964-M966 PolarHBondContact O-N 2.67Å; E964-M966 VanDerWaalsContact O-N 3.1Å; E964-R967 VanDerWaalsContact O-CB 3.3Å; E964-R967 WeakPolarHBondContact O-CB 3.11Å; E964-R967 PolarHBondContact O-N 3.31Å; E964-R967 VanDerWaalsContact O-N 3.11Å
965S68.1Low75.8Confident106 Ų10679.6 Ų79.674%0.74145%0.447SS*.G310 helixtrans-62.1-20-17856.70000114.3P963 R967P963-S965 PolarHBondContact O-N 3.44Å; S965-R967 PolarHBondContact O-N 2.95Å
966M70.3Confident75.7Confident70 Ų7078.4 Ų78.435%0.34544%0.441SS..G310 helixtrans-73.8-3.5176-74.2-172.5-98.900114.5L962 P963 E964 A968 P972L962-M966 HydrophobicContact CD2-CE 4.34Å; P963-M966 HydrophobicContact CG-CE 3.6Å; E964-M966 PolarHBondContact O-N 2.67Å; E964-M966 VanDerWaalsContact O-N 3.1Å; M966-A968 PolarHBondContact O-N 2.95Å; M966-A968 VanDerWaalsContact O-N 3.13Å; M966-P972 HydrophobicContact CG-CB 4.25Å; M966-P972 HydrophobicContact SD-CB 3.95Å; M966-P972 HydrophobicContact SD-CG 4.31Å
967R71.4Confident75.6Confident131 Ų13178.5 Ų78.549%0.49445%0.452SS..G310 helixtrans-61.4-19.5-176-177.1171.1178.7-155.1-4.7115.3E825 E964 S965E825-R967 HydrophobicContact CG-CG 4.49Å; E964-R967 VanDerWaalsContact O-CB 3.3Å; E964-R967 WeakPolarHBondContact O-CB 3.11Å; E964-R967 PolarHBondContact O-N 3.31Å; E964-R967 VanDerWaalsContact O-N 3.11Å; S965-R967 PolarHBondContact O-N 2.95Å
968A72.6Confident75.7Confident76 Ų7680 Ų8063%0.62846%0.46SS*.G310 helixtrans-101.2-1-170.400000116.1M966M966-A968 PolarHBondContact O-N 2.95Å; M966-A968 VanDerWaalsContact O-N 3.13Å
969K77.2Confident76Confident94 Ų9478.7 Ų78.741%0.40944%0.439SS..  trans-128145.6-178.5-66.3-174.9177.3-175.20110.9Y993K969-Y993 PolarHBondContact NZ-OH 3.28Å
970V82.1Confident76.2Confident9 Ų975.9 Ų75.96%0.05542%0.418CS..SBendtrans-81.3-41.8176.1-178.70000110.2L819 V826 P972 I991 D992L819-V970 HydrophobicContact CD1-CG1 3.67Å; V826-V970 HydrophobicContact CG2-CG2 4.34Å; V970-P972 WeakPolarHBondContact O-CD 3.29Å; V970-I991 HydrophobicContact CB-CG2 4.35Å; V970-I991 HydrophobicContact CG2-CG2 4.33Å; V970-D992 PolarHBondContact N-OD1 3.01Å
971F83.5Confident76.3Confident41 Ų4180.2 Ų80.218%0.1843%0.428CS..  trans-112.290.3177.4-54.5-79.1000111.2L819 D973 F974 Q988 I991 D992L819-F971 HydrophobicContact CD1-CD1 4.23Å; L819-F971 HydrophobicContact CD1-CE1 3.53Å; L819-F971 HydrophobicContact CD1-CZ 3.89Å; L819-F971 HydrophobicContact CD2-CE1 4.29Å; L819-F971 HydrophobicContact CD2-CZ 4.4Å; F971-D973 PolarHBondContact O-N 3.33Å; F971-D973 VanDerWaalsContact O-N 3.13Å; F971-F974 HydrophobicContact CB-CB 4.31Å; F971-F974 PolarHBondContact O-N 3.4Å; F971-Q988 HydrophobicContact CD2-CB 4.42Å; F971-Q988 HydrophobicContact CD2-CG 4.12Å; F971-Q988 HydrophobicContact CE2-CG 4.3Å; F971-Q988 HydrophobicContact CG-CG 4.25Å; F971-I991 HydrophobicContact CD2-CG2 4.49Å; F971-I991 HydrophobicContact CE2-CB 4.28Å; F971-I991 HydrophobicContact CE2-CD1 3.86Å; F971-I991 HydrophobicContact CE2-CG2 4.05Å; F971-I991 HydrophobicContact CZ-CD1 4.42Å; F971-D992 WeakPolarHBondContact CB-OD2 3.43Å; F971-D992 PolarHBondContact N-OD2 2.94Å
972P72.5Confident76.6Confident41 Ų4178.7 Ų78.727%0.26641%0.406SS..THydrogen-bonded Turntrans-62.4-21.6-178.925.1-34.3000113.8M966 V970 F974M966-P972 HydrophobicContact CG-CB 4.25Å; M966-P972 HydrophobicContact SD-CB 3.95Å; M966-P972 HydrophobicContact SD-CG 4.31Å; V970-P972 WeakPolarHBondContact O-CD 3.29Å; P972-F974 PolarHBondContact O-N 3.06Å
973D77.3Confident76.7Confident154 Ų15480.9 Ų80.982%0.82442%0.417SS*.THydrogen-bonded Turntrans-83.8-3.4-174.8-44.3-42.6000114.3F971F971-D973 PolarHBondContact O-N 3.33Å; F971-D973 VanDerWaalsContact O-N 3.13Å
974F80.9Confident77Confident17 Ų1784.1 Ų84.18%0.07542%0.424CS..  trans-101.5134-169.5-179.7-101.6000114.6F971 P972 H978 N985 Q988 F989 Y993F971-F974 HydrophobicContact CB-CB 4.31Å; F971-F974 PolarHBondContact O-N 3.4Å; P972-F974 PolarHBondContact O-N 3.06Å; F974-H978 HydrophobicContact CE2-CB 4.26Å; F974-N985 HydrophobicContact CE2-CB 3.92Å; F974-N985 WeakPolarHBondContact CZ-O 3.23Å; F974-Q988 HydrophobicContact CB-CB 4.49Å; F974-Q988 HydrophobicContact CD1-CB 4.17Å; F974-Q988 HydrophobicContact CD2-CB 3.98Å; F974-Q988 HydrophobicContact CE2-CB 4.32Å; F974-Q988 HydrophobicContact CG-CB 3.92Å; F974-F989 HydrophobicContact CE1-CB 3.72Å; F974-F989 HydrophobicContact CE1-CD2 4.3Å; F974-F989 HydrophobicContact CZ-CB 3.8Å; F974-Y993 HydrophobicContact CD1-CE2 4.14Å; F974-Y993 HydrophobicContact CE1-CD2 4.38Å; F974-Y993 HydrophobicContact CE1-CE2 4.22Å
975H76.7Confident77.7Confident99 Ų9978.9 Ų78.946%0.45840%0.401SS..  trans-118.5139.3177.3-167.6-89.9000112.1S977 H978H975-S977 VanDerWaalsContact C-N 3.29Å; H975-S977 PolarHBondContact ND1-OG 3.17Å; H975-S977 PolarHBondContact O-N 2.99Å; H975-S977 VanDerWaalsContact O-N 3.15Å; H975-H978 PolarHBondContact O-N 2.96Å
976H75.5Confident78.5Confident90 Ų9075.1 Ų75.142%0.41738%0.376SS..G310 helixtrans-60.8-31.8-166.264.6-112.5000114.3H978 F979 F989 Y993H976-H978 PolarHBondContact O-N 2.84Å; H976-H978 VanDerWaalsContact O-N 3.11Å; H976-F979 WeakPolarHBondContact O-CD1 2.93Å; H976-F979 PolarHBondContact O-N 2.83Å; H976-F989 HydrophobicContact CB-CD2 4.33Å; H976-F989 HydrophobicContact CB-CE2 4.25Å; H976-Y993 HydrophobicContact CB-CE2 4.49Å
977S77.5Confident79.1Confident70 Ų7076.1 Ų76.149%0.4938%0.382SS..G310 helixtrans-66.9-10.1-178.154.60000114.6H975H975-S977 VanDerWaalsContact C-N 3.29Å; H975-S977 PolarHBondContact ND1-OG 3.17Å; H975-S977 PolarHBondContact O-N 2.99Å; H975-S977 VanDerWaalsContact O-N 3.15Å
978H83.2Confident79.8Confident68 Ų6871.3 Ų71.332%0.31537%0.365SS..G310 helixtrans-94.41.9-178.7-66.5-51.7000115F974 H975 H976 D980 R981 N985F974-H978 HydrophobicContact CE2-CB 4.26Å; H975-H978 PolarHBondContact O-N 2.96Å; H976-H978 PolarHBondContact O-N 2.84Å; H976-H978 VanDerWaalsContact O-N 3.11Å; H978-D980 VanDerWaalsContact C-N 3.31Å; H978-D980 PolarHBondContact O-N 2.82Å; H978-R981 PolarHBondContact O-N 3.47Å; H978-N985 VanDerWaalsContact O-CB 3.26Å; H978-N985 WeakPolarHBondContact O-CB 3.47Å; H978-N985 PolarHBondContact O-ND2 3.35Å
979F80.9Confident80.5Confident56 Ų5669.4 Ų69.425%0.24634%0.343CS..G310 helixtrans-59.4-36.7-172.282-79.5000113.9H976 R981 F989 Y1319H976-F979 WeakPolarHBondContact O-CD1 2.93Å; H976-F979 PolarHBondContact O-N 2.83Å; F979-R981 VanDerWaalsContact C-N 3.31Å; F979-R981 PolarHBondContact O-N 3.27Å; F979-F989 HydrophobicContact CB-CB 3.94Å; F979-F989 HydrophobicContact CB-CD2 4.34Å; F979-F989 HydrophobicContact CB-CG 4.02Å; F979-Y1319 WeakPolarHBondContact CZ-OH 3.36Å
980D77.3Confident80.8Confident19 Ų1970.3 Ų70.310%0.10235%0.351CS..G310 helixtrans-71.8-17.6-178.2-84.4-14000115.3H978 S982 K1161H978-D980 VanDerWaalsContact C-N 3.31Å; H978-D980 PolarHBondContact O-N 2.82Å; D980-S982 PolarHBondContact O-N 3.47Å; D980-K1161 WeakPolarHBondContact OD1-CE 3.33Å; D980-K1161 IonicContact OD1-NZ 3.1Å; D980-K1161 PolarHBondContact OD1-NZ 2.98Å; D980-K1161 IonicContact OD2-NZ 2.99Å; D980-K1161 PolarHBondContact OD2-NZ 3.35Å
981R78.8Confident80.9Confident186 Ų18674.1 Ų74.170%0.70237%0.37SS*.G310 helixtrans-71.6-31.9-173.2-67.2-173.4176.4-172.9-2.5113.7H978 F979H978-R981 PolarHBondContact O-N 3.47Å; F979-R981 VanDerWaalsContact C-N 3.31Å; F979-R981 PolarHBondContact O-N 3.27Å
982S80.4Confident81Confident39 Ų3973.9 Ų73.927%0.27337%0.371SS..  trans-159.7157-17978.70000112.7D980 K984 N985 A986D980-S982 PolarHBondContact O-N 3.47Å; S982-K984 PolarHBondContact O-N 3.18Å; S982-K984 PolarHBondContact OG-N 3.4Å; S982-N985 WeakPolarHBondContact O-CB 3.45Å; S982-N985 PolarHBondContact O-N 3.34Å; S982-N985 PolarHBondContact OG-N 2.94Å; S982-N985 PolarHBondContact OG-OD1 2.82Å; S982-A986 PolarHBondContact O-N 3.33Å
983L78.2Confident81.6Confident117 Ų11774 Ų7461%0.61337%0.367SS*.Hα-helixtrans-56.5-36.4174.4-170.273.5000112.4N985 A986 I987L983-N985 PolarHBondContact O-N 2.81Å; L983-A986 PolarHBondContact O-N 3.22Å; L983-I987 HydrophobicContact CG-CD1 4.18Å; L983-I987 WeakPolarHBondContact O-CG1 3.27Å; L983-I987 PolarHBondContact O-N 3.1Å
984K82.8Confident82Confident142 Ų14267 Ų6762%0.61733%0.331SS*.Hα-helixtrans-60-46.1175.6-179.1-172.1172.4-170.90111.1S982 A986 I987 Q988S982-K984 PolarHBondContact O-N 3.18Å; S982-K984 PolarHBondContact OG-N 3.4Å; K984-A986 VanDerWaalsContact C-N 3.34Å; K984-I987 PolarHBondContact O-N 3.27Å; K984-Q988 WeakPolarHBondContact O-CG 3.36Å; K984-Q988 PolarHBondContact O-N 3.11Å
985N85.5Confident82.3Confident31 Ų3169.1 Ų69.117%0.16634%0.34CS..Hα-helixtrans-66.9-37.1179.7-65.510.6000111.3F974 H978 S982 L983 Q988 F989F974-N985 HydrophobicContact CE2-CB 3.92Å; F974-N985 WeakPolarHBondContact CZ-O 3.23Å; H978-N985 VanDerWaalsContact O-CB 3.26Å; H978-N985 WeakPolarHBondContact O-CB 3.47Å; H978-N985 PolarHBondContact O-ND2 3.35Å; S982-N985 WeakPolarHBondContact O-CB 3.45Å; S982-N985 PolarHBondContact O-N 3.34Å; S982-N985 PolarHBondContact OG-N 2.94Å; S982-N985 PolarHBondContact OG-OD1 2.82Å; L983-N985 PolarHBondContact O-N 2.81Å; N985-Q988 PolarHBondContact O-N 2.99Å; N985-F989 WeakPolarHBondContact O-CB 3.41Å; N985-F989 PolarHBondContact O-N 3.47Å
986A83.2Confident82.8Confident27 Ų2766.8 Ų66.822%0.22333%0.328CS..Hα-helixtrans-63.9-38.3173.800000112.6S982 L983 K984 F989 L990S982-A986 PolarHBondContact O-N 3.33Å; L983-A986 PolarHBondContact O-N 3.22Å; K984-A986 VanDerWaalsContact C-N 3.34Å; A986-F989 PolarHBondContact O-N 3.42Å; A986-L990 PolarHBondContact O-N 3.5Å
987I84.1Confident83.2Confident91 Ų9164.9 Ų64.947%0.46732%0.318SS..Hα-helixtrans-69.5-42.2174.9-67.3164.9000111.4L983 K984 F989 L990 I991L983-I987 HydrophobicContact CG-CD1 4.18Å; L983-I987 WeakPolarHBondContact O-CG1 3.27Å; L983-I987 PolarHBondContact O-N 3.1Å; K984-I987 PolarHBondContact O-N 3.27Å; I987-F989 VanDerWaalsContact C-N 3.31Å; I987-F989 PolarHBondContact O-N 3.26Å; I987-L990 WeakPolarHBondContact O-CB 3.33Å; I987-L990 PolarHBondContact O-N 3.35Å; I987-I991 HydrophobicContact CG2-CD1 3.94Å; I987-I991 WeakPolarHBondContact O-CG1 3.36Å; I987-I991 PolarHBondContact O-N 3.27Å
988Q85.8Confident83.8Confident30 Ų3065 Ų6514%0.1431%0.31CS..Hα-helixtrans-61.1-41.7174.6-71179.9-54.400111.4F971 F974 K984 N985 L990 I991 D992F971-Q988 HydrophobicContact CD2-CB 4.42Å; F971-Q988 HydrophobicContact CD2-CG 4.12Å; F971-Q988 HydrophobicContact CE2-CG 4.3Å; F971-Q988 HydrophobicContact CG-CG 4.25Å; F974-Q988 HydrophobicContact CB-CB 4.49Å; F974-Q988 HydrophobicContact CD1-CB 4.17Å; F974-Q988 HydrophobicContact CD2-CB 3.98Å; F974-Q988 HydrophobicContact CE2-CB 4.32Å; F974-Q988 HydrophobicContact CG-CB 3.92Å; K984-Q988 WeakPolarHBondContact O-CG 3.36Å; K984-Q988 PolarHBondContact O-N 3.11Å; N985-Q988 PolarHBondContact O-N 2.99Å; Q988-L990 PolarHBondContact O-N 3.49Å; Q988-I991 PolarHBondContact O-N 3.13Å; Q988-D992 PolarHBondContact O-N 3.47Å; Q988-D992 VanDerWaalsContact O-N 3.1Å
989F86.4Confident84Confident37 Ų3761.9 Ų61.916%0.16230%0.296CS..Hα-helixtrans-59.1-44.1171.6176.2-99.5000112.7F974 H976 F979 N985 A986 I987 I991 Y993 G994 K997F974-F989 HydrophobicContact CE1-CB 3.72Å; F974-F989 HydrophobicContact CE1-CD2 4.3Å; F974-F989 HydrophobicContact CZ-CB 3.8Å; H976-F989 HydrophobicContact CB-CD2 4.33Å; H976-F989 HydrophobicContact CB-CE2 4.25Å; F979-F989 HydrophobicContact CB-CB 3.94Å; F979-F989 HydrophobicContact CB-CD2 4.34Å; F979-F989 HydrophobicContact CB-CG 4.02Å; N985-F989 WeakPolarHBondContact O-CB 3.41Å; N985-F989 PolarHBondContact O-N 3.47Å; A986-F989 PolarHBondContact O-N 3.42Å; I987-F989 VanDerWaalsContact C-N 3.31Å; I987-F989 PolarHBondContact O-N 3.26Å; F989-I991 PolarHBondContact O-N 3.46Å; F989-Y993 HydrophobicContact CD2-CD2 4Å; F989-Y993 HydrophobicContact CD2-CG 4.33Å; F989-Y993 HydrophobicContact CE2-CD2 4.44Å; F989-Y993 HydrophobicContact CE2-CG 4.35Å; F989-Y993 WeakPolarHBondContact O-CA 3.39Å; F989-Y993 WeakPolarHBondContact O-CB 3.46Å; F989-Y993 PolarHBondContact O-N 3.38Å; F989-G994 PolarHBondContact O-N 3.44Å; F989-K997 HydrophobicContact CZ-CG 4.06Å
990L84.9Confident84.4Confident113 Ų11359.9 Ų59.959%0.59229%0.288SS*.Hα-helixtrans-62.7-40.1178.3-163.296.2000112.2A986 I987 Q988 G994A986-L990 PolarHBondContact O-N 3.5Å; I987-L990 WeakPolarHBondContact O-CB 3.33Å; I987-L990 PolarHBondContact O-N 3.35Å; Q988-L990 PolarHBondContact O-N 3.49Å; L990-G994 WeakPolarHBondContact O-CA 3.41Å; L990-G994 PolarHBondContact O-N 2.96Å
991I84.2Confident85.1Confident88 Ų8859.9 Ų59.945%0.45129%0.287SS..Hα-helixtrans-71.2-48.8-178.1-67.7167.5000111.7V970 F971 I987 Q988 F989V970-I991 HydrophobicContact CB-CG2 4.35Å; V970-I991 HydrophobicContact CG2-CG2 4.33Å; F971-I991 HydrophobicContact CD2-CG2 4.49Å; F971-I991 HydrophobicContact CE2-CB 4.28Å; F971-I991 HydrophobicContact CE2-CD1 3.86Å; F971-I991 HydrophobicContact CE2-CG2 4.05Å; F971-I991 HydrophobicContact CZ-CD1 4.42Å; I987-I991 HydrophobicContact CG2-CD1 3.94Å; I987-I991 WeakPolarHBondContact O-CG1 3.36Å; I987-I991 PolarHBondContact O-N 3.27Å; Q988-I991 PolarHBondContact O-N 3.13Å; F989-I991 PolarHBondContact O-N 3.46Å
992D84.9Confident85.7Confident37 Ų3754.5 Ų54.520%0.19827%0.271CS..Hα-helixtrans-84.5-26.9-176.4-70.5-48.9000113.5V970 F971 Q988V970-D992 PolarHBondContact N-OD1 3.01Å; F971-D992 WeakPolarHBondContact CB-OD2 3.43Å; F971-D992 PolarHBondContact N-OD2 2.94Å; Q988-D992 PolarHBondContact O-N 3.47Å; Q988-D992 VanDerWaalsContact O-N 3.1Å
993Y85.2Confident86.3Confident43 Ų4352.9 Ų52.917%0.16926%0.26CS..Hα-helixtrans-125.4-1.4-174.4-58.8-86.2000115.5K969 F974 H976 F989 F995 Y996 K997K969-Y993 PolarHBondContact NZ-OH 3.28Å; F974-Y993 HydrophobicContact CD1-CE2 4.14Å; F974-Y993 HydrophobicContact CE1-CD2 4.38Å; F974-Y993 HydrophobicContact CE1-CE2 4.22Å; H976-Y993 HydrophobicContact CB-CE2 4.49Å; F989-Y993 HydrophobicContact CD2-CD2 4Å; F989-Y993 HydrophobicContact CD2-CG 4.33Å; F989-Y993 HydrophobicContact CE2-CD2 4.44Å; F989-Y993 HydrophobicContact CE2-CG 4.35Å; F989-Y993 WeakPolarHBondContact O-CA 3.39Å; F989-Y993 WeakPolarHBondContact O-CB 3.46Å; F989-Y993 PolarHBondContact O-N 3.38Å; Y993-F995 PolarHBondContact O-N 3.2Å; Y993-Y996 WeakPolarHBondContact O-CB 3.49Å; Y993-Y996 PolarHBondContact O-N 3.05Å; Y993-Y996 VanDerWaalsContact O-N 3.13Å; Y993-K997 PolarHBondContact O-N 3.42Å; Y993-K997 VanDerWaalsContact O-N 3.11Å
994G85.6Confident86.9Confident8 Ų848.1 Ų48.18%0.08224%0.235CC..Hα-helixtrans-58.3-51.9-175.600000113.6F989 L990 Y996 K997 F998F989-G994 PolarHBondContact O-N 3.44Å; L990-G994 WeakPolarHBondContact O-CA 3.41Å; L990-G994 PolarHBondContact O-N 2.96Å; G994-Y996 VanDerWaalsContact C-N 3.26Å; G994-Y996 PolarHBondContact O-N 3.42Å; G994-K997 PolarHBondContact O-N 3.18Å; G994-F998 WeakPolarHBondContact O-CD2 3.36Å; G994-F998 PolarHBondContact O-N 3.3Å
995F88Confident87.4Confident61 Ų6143.7 Ų43.727%0.26822%0.217SC..Hα-helixtrans-66.8-26.9176.9-166.6-95.2000112.7Y993 G999 I1002 L1114 C1117 Q1118 V1121Y993-F995 PolarHBondContact O-N 3.2Å; F995-G999 VanDerWaalsContact O-CA 3.27Å; F995-G999 WeakPolarHBondContact O-CA 3.47Å; F995-G999 PolarHBondContact O-N 3.41Å; F995-I1002 HydrophobicContact CD2-CD1 4.27Å; F995-I1002 HydrophobicContact CE2-CG2 4.42Å; F995-L1114 HydrophobicContact CE2-CD2 3.96Å; F995-L1114 HydrophobicContact CZ-CD2 4.42Å; F995-C1117 HydrophobicContact CD1-CB 4.43Å; F995-C1117 HydrophobicContact CE1-CB 3.59Å; F995-C1117 HydrophobicContact CZ-CB 3.88Å; F995-Q1118 HydrophobicContact CE1-CB 4.34Å; F995-Q1118 HydrophobicContact CZ-CB 4.26Å; F995-V1121 HydrophobicContact CD1-CG2 3.99Å; F995-V1121 HydrophobicContact CE1-CG2 4.16Å
996Y86.3Confident87.8Confident50 Ų5043.2 Ų43.220%0.19622%0.218CC..Hα-helixtrans-68.5-32.5175.1179.4-99.4000112.8Y993 G994 V1121Y993-Y996 WeakPolarHBondContact O-CB 3.49Å; Y993-Y996 PolarHBondContact O-N 3.05Å; Y993-Y996 VanDerWaalsContact O-N 3.13Å; G994-Y996 VanDerWaalsContact C-N 3.26Å; G994-Y996 PolarHBondContact O-N 3.42Å; Y996-V1121 HydrophobicContact CD2-CG1 3.8Å; Y996-V1121 HydrophobicContact CE2-CG1 4.26Å
997K85.2Confident88.3Confident50 Ų5042 Ų4222%0.21721%0.208CC..Hα-helixtrans-90.8-33.7178.7-71.2-55.3-164-174.10114.5F989 Y993 G994 D1128 N1129F989-K997 HydrophobicContact CZ-CG 4.06Å; Y993-K997 PolarHBondContact O-N 3.42Å; Y993-K997 VanDerWaalsContact O-N 3.11Å; G994-K997 PolarHBondContact O-N 3.18Å; K997-D1128 PolarHBondContact NZ-O 3.13Å; K997-N1129 WeakPolarHBondContact CD-OD1 3.43Å; K997-N1129 WeakPolarHBondContact CE-OD1 3.3Å; K997-N1129 PolarHBondContact NZ-OD1 3Å
998F88.2Confident88.7Confident73 Ų7337.8 Ų37.832%0.3219%0.186SC..Hα-helixtrans-117.78.1-171.7-58.2-68.1000115G994 L1000 E1001 I1002 F1310G994-F998 WeakPolarHBondContact O-CD2 3.36Å; G994-F998 PolarHBondContact O-N 3.3Å; F998-L1000 VanDerWaalsContact C-N 3.3Å; F998-L1000 PolarHBondContact O-N 3.06Å; F998-E1001 VanDerWaalsContact C-OE2 3.28Å; F998-E1001 WeakPolarHBondContact CA-OE2 3.42Å; F998-E1001 PolarHBondContact O-N 2.86Å; F998-I1002 HydrophobicContact CB-CD1 4.06Å; F998-I1002 HydrophobicContact CB-CG1 4.44Å; F998-I1002 VanDerWaalsContact O-CG1 3.3Å; F998-I1002 WeakPolarHBondContact O-CG1 3.32Å; F998-I1002 PolarHBondContact O-N 3.17Å; F998-F1310 HydrophobicContact CE1-CE2 4.48Å
999G88.8Confident89Confident1 Ų140.1 Ų40.11%0.0120%0.199CC..Hα-helixtrans-63.3-27.9-172.600000115.2F995 T1003F995-G999 VanDerWaalsContact O-CA 3.27Å; F995-G999 WeakPolarHBondContact O-CA 3.47Å; F995-G999 PolarHBondContact O-N 3.41Å; G999-T1003 WeakPolarHBondContact O-CB 3.39Å; G999-T1003 WeakPolarHBondContact O-CG2 3.26Å; G999-T1003 PolarHBondContact O-N 3.35Å; G999-T1003 PolarHBondContact O-OG1 3.43Å
1000L89.6Confident89.2Confident14 Ų1438.6 Ų38.67%0.07319%0.192CC..Hα-helixtrans-72.1-44.2174.6177.159.9000111.2F998 T1003 M1004 R1034 V1037 W1041F998-L1000 VanDerWaalsContact C-N 3.3Å; F998-L1000 PolarHBondContact O-N 3.06Å; L1000-T1003 WeakPolarHBondContact CA-OG1 3.44Å; L1000-T1003 PolarHBondContact O-N 3.32Å; L1000-T1003 PolarHBondContact O-OG1 3.35Å; L1000-M1004 HydrophobicContact CD1-CG 4.48Å; L1000-M1004 HydrophobicContact CG-CE 4.22Å; L1000-M1004 WeakPolarHBondContact O-CG 3.27Å; L1000-M1004 PolarHBondContact O-N 3.38Å; L1000-R1034 HydrophobicContact CD2-CG 4.21Å; L1000-V1037 HydrophobicContact CD1-CG1 3.88Å; L1000-W1041 HydrophobicContact CD1-CH2 4.45Å; L1000-W1041 HydrophobicContact CD1-CZ3 4.07Å
1001E90.8Very high89.6Confident20 Ų2033.2 Ų33.29%0.09316%0.164CC..Hα-helixtrans-64.6-42.6177.6-60.789.1152.600110.9F998 M1004 I1005 V1309 R1313F998-E1001 VanDerWaalsContact C-OE2 3.28Å; F998-E1001 WeakPolarHBondContact CA-OE2 3.42Å; F998-E1001 PolarHBondContact O-N 2.86Å; E1001-M1004 PolarHBondContact O-N 3.01Å; E1001-I1005 WeakPolarHBondContact O-CG1 3.38Å; E1001-I1005 PolarHBondContact O-N 3.36Å; E1001-I1005 VanDerWaalsContact O-N 3.11Å; E1001-V1309 HydrophobicContact CB-CG1 4.3Å; E1001-V1309 HydrophobicContact CG-CG1 4.17Å; E1001-R1313 WeakPolarHBondContact OE1-CD 3.34Å; E1001-R1313 IonicContact OE1-CZ 3.59Å; E1001-R1313 IonicContact OE1-NE 2.68Å; E1001-R1313 PolarHBondContact OE1-NE 3.31Å; E1001-R1313 IonicContact OE1-NH2 3.65Å
1002I91.5Very high89.9Confident72 Ų7233.1 Ų33.137%0.36916%0.161SC..Hα-helixtrans-63.5-40.9175.5-67.9165000111.6F995 F998 I1005 A1006F995-I1002 HydrophobicContact CD2-CD1 4.27Å; F995-I1002 HydrophobicContact CE2-CG2 4.42Å; F998-I1002 HydrophobicContact CB-CD1 4.06Å; F998-I1002 HydrophobicContact CB-CG1 4.44Å; F998-I1002 VanDerWaalsContact O-CG1 3.3Å; F998-I1002 WeakPolarHBondContact O-CG1 3.32Å; F998-I1002 PolarHBondContact O-N 3.17Å; I1002-I1005 PolarHBondContact O-N 3.23Å; I1002-A1006 WeakPolarHBondContact O-CB 3.46Å; I1002-A1006 PolarHBondContact O-N 3.18Å
1003T92.9Very high90Very high5 Ų535.1 Ų35.13%0.03117%0.172CC..Hα-helixtrans-71.7-36.7179.4430000112.8G999 L1000 I1005 A1006 I1007 W1041 L1114 Q1118G999-T1003 WeakPolarHBondContact O-CB 3.39Å; G999-T1003 WeakPolarHBondContact O-CG2 3.26Å; G999-T1003 PolarHBondContact O-N 3.35Å; G999-T1003 PolarHBondContact O-OG1 3.43Å; L1000-T1003 WeakPolarHBondContact CA-OG1 3.44Å; L1000-T1003 PolarHBondContact O-N 3.32Å; L1000-T1003 PolarHBondContact O-OG1 3.35Å; T1003-I1005 VanDerWaalsContact C-N 3.35Å; T1003-I1005 PolarHBondContact O-N 3.49Å; T1003-A1006 PolarHBondContact O-N 3.1Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.47Å; T1003-I1007 PolarHBondContact O-N 2.67Å; T1003-W1041 HydrophobicContact CG2-CH2 4.36Å; T1003-W1041 HydrophobicContact CG2-CZ2 4.09Å; T1003-W1041 WeakPolarHBondContact OG1-CH2 3.22Å; T1003-L1114 HydrophobicContact CG2-CB 3.76Å; T1003-Q1118 HydrophobicContact CG2-CB 4.32Å
1004M92.3Very high90.2Very high18 Ų1833.1 Ų33.19%0.08916%0.164CC..Hα-helixtrans-63.2-39.4171.6-70.5-174.9-59.900112.4L1000 E1001 I1007 G1008 L1026 F1029 A1030 V1309L1000-M1004 HydrophobicContact CD1-CG 4.48Å; L1000-M1004 HydrophobicContact CG-CE 4.22Å; L1000-M1004 WeakPolarHBondContact O-CG 3.27Å; L1000-M1004 PolarHBondContact O-N 3.38Å; E1001-M1004 PolarHBondContact O-N 3.01Å; M1004-I1007 PolarHBondContact O-N 2.88Å; M1004-G1008 PolarHBondContact O-N 3.19Å; M1004-L1026 HydrophobicContact CB-CD1 4.1Å; M1004-L1026 HydrophobicContact CG-CD1 4.49Å; M1004-F1029 HydrophobicContact CG-CB 4.27Å; M1004-F1029 HydrophobicContact SD-CB 4.07Å; M1004-A1030 HydrophobicContact SD-CB 4.49Å; M1004-V1309 HydrophobicContact CE-CG1 3.88Å
1005I92.6Very high90.2Very high48 Ų4833.3 Ų33.325%0.24616%0.162CC..Hα-helixtrans-66.3-40.4174.6-67.1166.2000110.8E1001 I1002 T1003 I1007 G1008 I1009E1001-I1005 WeakPolarHBondContact O-CG1 3.38Å; E1001-I1005 PolarHBondContact O-N 3.36Å; E1001-I1005 VanDerWaalsContact O-N 3.11Å; I1002-I1005 PolarHBondContact O-N 3.23Å; T1003-I1005 VanDerWaalsContact C-N 3.35Å; T1003-I1005 PolarHBondContact O-N 3.49Å; I1005-I1007 VanDerWaalsContact C-N 3.34Å; I1005-I1007 PolarHBondContact O-N 2.74Å; I1005-G1008 PolarHBondContact O-N 3.25Å; I1005-G1008 VanDerWaalsContact O-N 3.15Å; I1005-I1009 HydrophobicContact CG2-CD1 3.97Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.48Å; I1005-I1009 PolarHBondContact O-N 2.9Å
1006A92.6Very high90.2Very high21 Ų2130.6 Ų30.617%0.17415%0.151CC..Hα-helixtrans-61.3-39.7175.200000112.5I1002 T1003 I1009 D1010 L1114I1002-A1006 WeakPolarHBondContact O-CB 3.46Å; I1002-A1006 PolarHBondContact O-N 3.18Å; T1003-A1006 PolarHBondContact O-N 3.1Å; A1006-I1009 PolarHBondContact O-N 3.03Å; A1006-D1010 PolarHBondContact O-N 2.91Å; A1006-L1114 HydrophobicContact CB-CD1 3.95Å
1007I94.2Very high90.3Very high2 Ų229.3 Ų29.31%0.0115%0.151CC..Hα-helixtrans-63.3-42.4172.6-66.4165000110.8T1003 M1004 I1005 I1009 D1010 I1011 Q1022 L1026 F1029 Y1044 V1111T1003-I1007 WeakPolarHBondContact O-CG1 3.47Å; T1003-I1007 PolarHBondContact O-N 2.67Å; M1004-I1007 PolarHBondContact O-N 2.88Å; I1005-I1007 VanDerWaalsContact C-N 3.34Å; I1005-I1007 PolarHBondContact O-N 2.74Å; I1007-I1009 VanDerWaalsContact C-N 3.3Å; I1007-I1009 PolarHBondContact O-N 3.02Å; I1007-D1010 PolarHBondContact O-N 3.27Å; I1007-I1011 HydrophobicContact CG2-CD1 3.83Å; I1007-I1011 HydrophobicContact CG2-CG1 4.47Å; I1007-I1011 WeakPolarHBondContact O-CD1 3.47Å; I1007-I1011 VanDerWaalsContact O-CG1 3.26Å; I1007-I1011 WeakPolarHBondContact O-CG1 3.34Å; I1007-I1011 PolarHBondContact O-N 3.49Å; I1007-Q1022 HydrophobicContact CG2-CB 4.24Å; I1007-L1026 HydrophobicContact CG2-CB 4.05Å; I1007-L1026 HydrophobicContact CG2-CD1 4.38Å; I1007-F1029 HydrophobicContact CD1-CD2 4.07Å; I1007-F1029 HydrophobicContact CD1-CE2 4Å; I1007-Y1044 HydrophobicContact CD1-CE1 4.32Å; I1007-V1111 HydrophobicContact CG1-CG1 4.5Å
1008G92.5Very high90.5Very high2 Ų228.1 Ų28.12%0.02115%0.146CC..Hα-helixtrans-61.7-33.8174.900000114.1M1004 I1005 F1012M1004-G1008 PolarHBondContact O-N 3.19Å; I1005-G1008 PolarHBondContact O-N 3.25Å; I1005-G1008 VanDerWaalsContact O-N 3.15Å; G1008-F1012 PolarHBondContact O-N 3.32Å
1009I92.2Very high90.6Very high80 Ų8024.6 Ų24.641%0.4113%0.131SC..Hα-helixtrans-73.3-40.3174.7-67.4165.1000111.2I1005 A1006 I1007 F1012 N1013I1005-I1009 HydrophobicContact CG2-CD1 3.97Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.48Å; I1005-I1009 PolarHBondContact O-N 2.9Å; A1006-I1009 PolarHBondContact O-N 3.03Å; I1007-I1009 VanDerWaalsContact C-N 3.3Å; I1007-I1009 PolarHBondContact O-N 3.02Å; I1009-F1012 PolarHBondContact O-N 3.49Å; I1009-N1013 PolarHBondContact O-N 3.14Å
1010D91.9Very high90.7Very high4 Ų426 Ų262%0.02114%0.142CC..Hα-helixtrans-61.6-46.6175.6-173.261000111.4A1006 I1007 F1012 N1013 R1014 V1111A1006-D1010 PolarHBondContact O-N 2.91Å; I1007-D1010 PolarHBondContact O-N 3.27Å; D1010-F1012 VanDerWaalsContact C-N 3.29Å; D1010-F1012 PolarHBondContact O-N 3.25Å; D1010-N1013 PolarHBondContact O-N 3.37Å; D1010-R1014 WeakPolarHBondContact O-CB 3.42Å; D1010-R1014 VanDerWaalsContact O-CG 3.26Å; D1010-R1014 WeakPolarHBondContact O-CG 3.41Å; D1010-R1014 PolarHBondContact O-N 3.22Å; D1010-R1014 VanDerWaalsContact OD2-CD 3.23Å; D1010-R1014 WeakPolarHBondContact OD2-CD 3.47Å; D1010-V1111 HydrophobicContact CB-CG2 4.25Å
1011I92.4Very high90.7Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-54.7-44.5173.6-69160.8000111.4I1007 R1014 M1015 A1019 Q1022 C1023 L1026 I1233 V1237 I1298I1007-I1011 HydrophobicContact CG2-CD1 3.83Å; I1007-I1011 HydrophobicContact CG2-CG1 4.47Å; I1007-I1011 WeakPolarHBondContact O-CD1 3.47Å; I1007-I1011 VanDerWaalsContact O-CG1 3.26Å; I1007-I1011 WeakPolarHBondContact O-CG1 3.34Å; I1007-I1011 PolarHBondContact O-N 3.49Å; I1011-R1014 PolarHBondContact O-N 3.37Å; I1011-M1015 PolarHBondContact O-N 3.48Å; I1011-A1019 HydrophobicContact CG2-CB 4.34Å; I1011-Q1022 HydrophobicContact CD1-CB 4.06Å; I1011-Q1022 HydrophobicContact CG1-CB 3.71Å; I1011-C1023 HydrophobicContact CD1-CB 4.47Å; I1011-C1023 VanDerWaalsContact CG2-SG 3.55Å; I1011-L1026 HydrophobicContact CD1-CB 4.26Å; I1011-L1026 HydrophobicContact CD1-CD2 3.75Å; I1011-I1233 HydrophobicContact CG2-CG2 4.38Å; I1011-V1237 HydrophobicContact CG2-CG2 3.93Å; I1011-I1298 HydrophobicContact CG2-CD1 3.85Å
1012F90.4Very high90.8Very high87 Ų8728.3 Ų28.338%0.38216%0.155SC..Hα-helixtrans-65.2-38.5179.1167.9-123.6000113.5G1008 I1009 D1010 M1015 I1298 V1302G1008-F1012 PolarHBondContact O-N 3.32Å; I1009-F1012 PolarHBondContact O-N 3.49Å; D1010-F1012 VanDerWaalsContact C-N 3.29Å; D1010-F1012 PolarHBondContact O-N 3.25Å; F1012-M1015 WeakPolarHBondContact O-CG 3.33Å; F1012-I1298 HydrophobicContact CB-CD1 4.02Å; F1012-I1298 HydrophobicContact CB-CG1 4.06Å; F1012-I1298 HydrophobicContact CD2-CG1 3.76Å; F1012-I1298 HydrophobicContact CG-CG1 4.34Å; F1012-V1302 HydrophobicContact CB-CG2 4.39Å
1013N87.9Confident90.9Very high79 Ų7925.1 Ų25.142%0.42214%0.138SC..Hα-helixtrans-73.1-35.1178.3-70.7-17.3000112.4I1009 D1010 Y1104I1009-N1013 PolarHBondContact O-N 3.14Å; D1010-N1013 PolarHBondContact O-N 3.37Å; N1013-Y1104 VanDerWaalsContact O-CE1 3.27Å; N1013-Y1104 WeakPolarHBondContact O-CE1 3.41Å
1014R87.8Confident90.8Very high1 Ų131.3 Ų31.30%0.00417%0.165CC..Hα-helixtrans-86.5-52.8-171.5-67.9176.970.1112.933.6114.1D1010 I1011 D1016 A1019 Y1104 D1108D1010-R1014 WeakPolarHBondContact O-CB 3.42Å; D1010-R1014 VanDerWaalsContact O-CG 3.26Å; D1010-R1014 WeakPolarHBondContact O-CG 3.41Å; D1010-R1014 PolarHBondContact O-N 3.22Å; D1010-R1014 VanDerWaalsContact OD2-CD 3.23Å; D1010-R1014 WeakPolarHBondContact OD2-CD 3.47Å; I1011-R1014 PolarHBondContact O-N 3.37Å; R1014-D1016 WeakPolarHBondContact CB-OD1 3.39Å; R1014-D1016 IonicContact CZ-OD1 2.78Å; R1014-D1016 IonicContact CZ-OD2 3.16Å; R1014-D1016 IonicContact NE-OD1 2.74Å; R1014-D1016 PolarHBondContact NE-OD1 3.02Å; R1014-D1016 VanDerWaalsContact NE-OD1 3.08Å; R1014-D1016 IonicContact NE-OD2 2.71Å; R1014-D1016 PolarHBondContact NE-OD2 3.42Å; R1014-D1016 IonicContact NH2-OD1 3.87Å; R1014-D1016 IonicContact NH2-OD2 2.95Å; R1014-D1016 PolarHBondContact NH2-OD2 3.48Å; R1014-D1016 PolarHBondContact O-N 3.47Å; R1014-A1019 HydrophobicContact CB-CB 3.92Å; R1014-Y1104 HydrophobicContact CG-CD1 4.17Å; R1014-Y1104 HydrophobicContact CG-CG 4.47Å; R1014-D1108 IonicContact CZ-OD2 2.68Å; R1014-D1108 IonicContact NH1-OD1 2.87Å; R1014-D1108 PolarHBondContact NH1-OD1 3.2Å; R1014-D1108 IonicContact NH1-OD2 2.76Å; R1014-D1108 PolarHBondContact NH1-OD2 3.12Å
1015M87.1Confident90.9Very high11 Ų1132.9 Ų32.95%0.05417%0.17CC..  trans48.828.7-175.9-58.5-72.9-8800114.7I1011 F1012 V1237 Q1240 I1298I1011-M1015 PolarHBondContact O-N 3.48Å; F1012-M1015 WeakPolarHBondContact O-CG 3.33Å; M1015-V1237 HydrophobicContact SD-CG2 3.89Å; M1015-Q1240 HydrophobicContact CE-CG 3.92Å; M1015-I1298 HydrophobicContact CE-CG1 4.25Å; M1015-I1298 HydrophobicContact CE-CG2 4.02Å; M1015-I1298 HydrophobicContact SD-CD1 3.74Å; M1015-I1298 HydrophobicContact SD-CG1 3.89Å; M1015-I1298 HydrophobicContact SD-CG2 4.46Å
1016D87.7Confident90.9Very high5 Ų530.8 Ų30.83%0.02716%0.159CC..SBendtrans-107.9-175.5-176.268.9-9.3000112.5R1014 L1018 A1019 A1020R1014-D1016 WeakPolarHBondContact CB-OD1 3.39Å; R1014-D1016 IonicContact CZ-OD1 2.78Å; R1014-D1016 IonicContact CZ-OD2 3.16Å; R1014-D1016 IonicContact NE-OD1 2.74Å; R1014-D1016 PolarHBondContact NE-OD1 3.02Å; R1014-D1016 VanDerWaalsContact NE-OD1 3.08Å; R1014-D1016 IonicContact NE-OD2 2.71Å; R1014-D1016 PolarHBondContact NE-OD2 3.42Å; R1014-D1016 IonicContact NH2-OD1 3.87Å; R1014-D1016 IonicContact NH2-OD2 2.95Å; R1014-D1016 PolarHBondContact NH2-OD2 3.48Å; R1014-D1016 PolarHBondContact O-N 3.47Å; D1016-L1018 VanDerWaalsContact C-N 3.26Å; D1016-L1018 PolarHBondContact O-N 2.89Å; D1016-L1018 PolarHBondContact OD1-N 2.99Å; D1016-A1019 WeakPolarHBondContact O-CB 3.34Å; D1016-A1019 PolarHBondContact O-N 3.4Å; D1016-A1019 VanDerWaalsContact O-N 3.15Å; D1016-A1019 WeakPolarHBondContact OD1-CB 3.24Å; D1016-A1019 PolarHBondContact OD1-N 3.29Å; D1016-A1020 PolarHBondContact O-N 2.99Å
1017A88Confident90.9Very high23 Ų2331.8 Ų31.819%0.1916%0.163CC..Hα-helixtrans-62-32.617600000112.9A1020 I1021 L1090 L1091A1017-A1020 WeakPolarHBondContact O-CB 3.46Å; A1017-A1020 PolarHBondContact O-N 3.28Å; A1017-I1021 WeakPolarHBondContact O-CG1 3.27Å; A1017-I1021 PolarHBondContact O-N 3.29Å; A1017-I1021 VanDerWaalsContact O-N 3.12Å; A1017-L1090 WeakPolarHBondContact CB-O 3.36Å; A1017-L1090 PolarHBondContact N-O 3.17Å; A1017-L1091 HydrophobicContact CB-CD2 4.16Å
1018L89.6Confident90.8Very high24 Ų2433.4 Ų33.413%0.12617%0.172CC..Hα-helixtrans-70.7-34.6174.6-75167.8000111.3D1016 A1020 I1021 Q1022 L1051 N1092D1016-L1018 VanDerWaalsContact C-N 3.26Å; D1016-L1018 PolarHBondContact O-N 2.89Å; D1016-L1018 PolarHBondContact OD1-N 2.99Å; L1018-A1020 VanDerWaalsContact C-N 3.34Å; L1018-A1020 PolarHBondContact O-N 3.34Å; L1018-I1021 HydrophobicContact CD2-CD1 4.4Å; L1018-I1021 CarbonylContact O-C 3.45Å; L1018-I1021 WeakPolarHBondContact O-CB 3.43Å; L1018-I1021 PolarHBondContact O-N 3.48Å; L1018-I1021 VanDerWaalsContact O-N 3.17Å; L1018-Q1022 WeakPolarHBondContact O-CG 3.44Å; L1018-Q1022 PolarHBondContact O-N 3.39Å; L1018-L1051 HydrophobicContact CD2-CD1 4.31Å; L1018-N1092 HydrophobicContact CD1-CB 4.16Å; L1018-N1092 WeakPolarHBondContact CD1-ND2 3.19Å
1019A90.4Very high90.7Very high0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-63.1-38170.300000111.8I1011 R1014 D1016 I1021 Q1022 C1023I1011-A1019 HydrophobicContact CG2-CB 4.34Å; R1014-A1019 HydrophobicContact CB-CB 3.92Å; D1016-A1019 WeakPolarHBondContact O-CB 3.34Å; D1016-A1019 PolarHBondContact O-N 3.4Å; D1016-A1019 VanDerWaalsContact O-N 3.15Å; D1016-A1019 WeakPolarHBondContact OD1-CB 3.24Å; D1016-A1019 PolarHBondContact OD1-N 3.29Å; A1019-I1021 VanDerWaalsContact C-N 3.33Å; A1019-I1021 PolarHBondContact O-N 3.23Å; A1019-Q1022 CarbonylContact O-C 3.6Å; A1019-Q1022 PolarHBondContact O-N 3.35Å; A1019-C1023 PolarHBondContact O-N 3.5Å; A1019-C1023 PolarHBondContact O-SG 3.08Å
1020A89.8Confident90.6Very high30 Ų3030.9 Ų30.925%0.24816%0.162CC..Hα-helixtrans-63.4-37.7172.300000112.1D1016 A1017 L1018 C1023 F1024 V1237D1016-A1020 PolarHBondContact O-N 2.99Å; A1017-A1020 WeakPolarHBondContact O-CB 3.46Å; A1017-A1020 PolarHBondContact O-N 3.28Å; L1018-A1020 VanDerWaalsContact C-N 3.34Å; L1018-A1020 PolarHBondContact O-N 3.34Å; A1020-C1023 WeakPolarHBondContact O-CB 3.48Å; A1020-C1023 PolarHBondContact O-N 3.07Å; A1020-F1024 PolarHBondContact O-N 3.22Å; A1020-V1237 HydrophobicContact CB-CG1 4.13Å
1021I91.3Very high90.4Very high82 Ų8235.5 Ų35.542%0.42119%0.186SC..Hα-helixtrans-68.4-40.1172.7-65172000111.1A1017 L1018 A1019 C1023 F1024 W1025A1017-I1021 WeakPolarHBondContact O-CG1 3.27Å; A1017-I1021 PolarHBondContact O-N 3.29Å; A1017-I1021 VanDerWaalsContact O-N 3.12Å; L1018-I1021 HydrophobicContact CD2-CD1 4.4Å; L1018-I1021 CarbonylContact O-C 3.45Å; L1018-I1021 WeakPolarHBondContact O-CB 3.43Å; L1018-I1021 PolarHBondContact O-N 3.48Å; L1018-I1021 VanDerWaalsContact O-N 3.17Å; A1019-I1021 VanDerWaalsContact C-N 3.33Å; A1019-I1021 PolarHBondContact O-N 3.23Å; I1021-C1023 VanDerWaalsContact C-N 3.32Å; I1021-C1023 PolarHBondContact O-N 3.03Å; I1021-F1024 WeakPolarHBondContact O-CB 3.24Å; I1021-F1024 PolarHBondContact O-N 3.13Å; I1021-W1025 VanDerWaalsContact O-CD1 3.29Å; I1021-W1025 PolarHBondContact O-N 3.23Å
1022Q92.1Very high90.1Very high1 Ų139.1 Ų39.11%0.00521%0.205CC..Hα-helixtrans-65.5-32.6173.4-65.7-71.714.200111.9I1007 I1011 L1018 A1019 F1024 W1025 L1026 Y1044 M1048I1007-Q1022 HydrophobicContact CG2-CB 4.24Å; I1011-Q1022 HydrophobicContact CD1-CB 4.06Å; I1011-Q1022 HydrophobicContact CG1-CB 3.71Å; L1018-Q1022 WeakPolarHBondContact O-CG 3.44Å; L1018-Q1022 PolarHBondContact O-N 3.39Å; A1019-Q1022 CarbonylContact O-C 3.6Å; A1019-Q1022 PolarHBondContact O-N 3.35Å; Q1022-F1024 VanDerWaalsContact C-N 3.32Å; Q1022-F1024 PolarHBondContact O-N 3.39Å; Q1022-W1025 PolarHBondContact O-N 2.91Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.42Å; Q1022-L1026 PolarHBondContact O-N 3.36Å; Q1022-Y1044 PolarHBondContact OE1-OH 3.43Å; Q1022-M1048 PolarHBondContact NE2-SD 3.21Å
1023C92.6Very high89.6Confident4 Ų442.2 Ų42.23%0.02722%0.219CC..Hα-helixtrans-59.9-42.3171.5-70.20000111.3I1011 A1019 A1020 I1021 L1026 V1027I1011-C1023 HydrophobicContact CD1-CB 4.47Å; I1011-C1023 VanDerWaalsContact CG2-SG 3.55Å; A1019-C1023 PolarHBondContact O-N 3.5Å; A1019-C1023 PolarHBondContact O-SG 3.08Å; A1020-C1023 WeakPolarHBondContact O-CB 3.48Å; A1020-C1023 PolarHBondContact O-N 3.07Å; I1021-C1023 VanDerWaalsContact C-N 3.32Å; I1021-C1023 PolarHBondContact O-N 3.03Å; C1023-L1026 PolarHBondContact O-N 3.45Å; C1023-V1027 WeakPolarHBondContact O-CB 3.48Å; C1023-V1027 VanDerWaalsContact O-CG2 3.31Å; C1023-V1027 WeakPolarHBondContact O-CG2 3.37Å; C1023-V1027 PolarHBondContact O-N 3.13Å
1024F92.1Very high89.5Confident136 Ų13640.9 Ų40.960%0.59621%0.208SC*.Hα-helixtrans-61.6-43.9175.3-179.6-96.9000111.9A1020 I1021 Q1022 V1027 L1028A1020-F1024 PolarHBondContact O-N 3.22Å; I1021-F1024 WeakPolarHBondContact O-CB 3.24Å; I1021-F1024 PolarHBondContact O-N 3.13Å; Q1022-F1024 VanDerWaalsContact C-N 3.32Å; Q1022-F1024 PolarHBondContact O-N 3.39Å; F1024-V1027 PolarHBondContact O-N 2.93Å; F1024-L1028 HydrophobicContact CE1-CD1 4.33Å; F1024-L1028 HydrophobicContact CZ-CD1 4.45Å; F1024-L1028 VanDerWaalsContact O-CB 3.31Å; F1024-L1028 WeakPolarHBondContact O-CB 3.14Å; F1024-L1028 PolarHBondContact O-N 3.04Å
1025W93Very high89.3Confident50 Ų5044.5 Ų44.519%0.18923%0.23CC..Hα-helixtrans-61.6-43.2172.9-72.6115.4000112.6I1021 Q1022 L1028 F1029 I1040 Y1044I1021-W1025 VanDerWaalsContact O-CD1 3.29Å; I1021-W1025 PolarHBondContact O-N 3.23Å; Q1022-W1025 PolarHBondContact O-N 2.91Å; W1025-L1028 HydrophobicContact CE3-CD2 4.23Å; W1025-L1028 HydrophobicContact CZ3-CD2 4.29Å; W1025-L1028 PolarHBondContact O-N 2.97Å; W1025-F1029 HydrophobicContact CB-CE2 4Å; W1025-F1029 HydrophobicContact CB-CZ 4.36Å; W1025-F1029 HydrophobicContact CD2-CZ 4.4Å; W1025-F1029 HydrophobicContact CE3-CE1 4.01Å; W1025-F1029 HydrophobicContact CE3-CE2 4.48Å; W1025-F1029 AromaticContact CE3-CZ 3.71Å; W1025-F1029 HydrophobicContact CE3-CZ 3.71Å; W1025-F1029 HydrophobicContact CZ3-CZ 4.43Å; W1025-F1029 WeakPolarHBondContact O-CD2 3.29Å; W1025-F1029 WeakPolarHBondContact O-CG 3.42Å; W1025-F1029 PolarHBondContact O-N 3.47Å; W1025-I1040 HydrophobicContact CH2-CG2 4.47Å; W1025-I1040 HydrophobicContact CZ3-CG2 3.74Å; W1025-Y1044 HydrophobicContact CB-CE2 4.34Å; W1025-Y1044 HydrophobicContact CD2-CD2 4.09Å; W1025-Y1044 HydrophobicContact CD2-CE2 4.45Å; W1025-Y1044 HydrophobicContact CE3-CD2 4.44Å; W1025-Y1044 HydrophobicContact CG-CD2 4.2Å; W1025-Y1044 HydrophobicContact CG-CE2 4.08Å
1026L93.7Very high89.3Confident4 Ų448.3 Ų48.32%0.02125%0.246CC..Hα-helixtrans-62.2-45.2178.4-177.861.6000112M1004 I1007 I1011 Q1022 C1023 L1028 F1029 A1030 L1230 L1305M1004-L1026 HydrophobicContact CB-CD1 4.1Å; M1004-L1026 HydrophobicContact CG-CD1 4.49Å; I1007-L1026 HydrophobicContact CG2-CB 4.05Å; I1007-L1026 HydrophobicContact CG2-CD1 4.38Å; I1011-L1026 HydrophobicContact CD1-CB 4.26Å; I1011-L1026 HydrophobicContact CD1-CD2 3.75Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.42Å; Q1022-L1026 PolarHBondContact O-N 3.36Å; C1023-L1026 PolarHBondContact O-N 3.45Å; L1026-L1028 VanDerWaalsContact C-N 3.34Å; L1026-F1029 PolarHBondContact O-N 3.41Å; L1026-A1030 VanDerWaalsContact O-CB 3.23Å; L1026-A1030 WeakPolarHBondContact O-CB 3.25Å; L1026-A1030 PolarHBondContact O-N 3.26Å; L1026-L1230 HydrophobicContact CD2-CD2 4.36Å; L1026-L1230 HydrophobicContact CG-CD2 4.22Å; L1026-L1305 HydrophobicContact CD2-CD2 3.97Å
1027V92Very high89.4Confident42 Ų4248.1 Ų48.126%0.25525%0.245SC..Hα-helixtrans-61-44.1174170.60000110.7C1023 F1024 F1029 A1030 L1031 L1230C1023-V1027 WeakPolarHBondContact O-CB 3.48Å; C1023-V1027 VanDerWaalsContact O-CG2 3.31Å; C1023-V1027 WeakPolarHBondContact O-CG2 3.37Å; C1023-V1027 PolarHBondContact O-N 3.13Å; F1024-V1027 PolarHBondContact O-N 2.93Å; V1027-F1029 VanDerWaalsContact C-N 3.33Å; V1027-F1029 PolarHBondContact O-N 2.86Å; V1027-A1030 PolarHBondContact O-N 2.87Å; V1027-L1031 HydrophobicContact CG1-CD1 3.78Å; V1027-L1031 HydrophobicContact CG1-CG 4.44Å; V1027-L1031 WeakPolarHBondContact O-CB 3.33Å; V1027-L1031 WeakPolarHBondContact O-CG 3.43Å; V1027-L1031 PolarHBondContact O-N 2.79Å; V1027-L1031 VanDerWaalsContact O-N 3.14Å; V1027-L1230 HydrophobicContact CG2-CB 4.3Å; V1027-L1230 HydrophobicContact CG2-CD2 4.46Å
1028L91.5Very high89.5Confident36 Ų3651.8 Ų51.819%0.18825%0.254CS..Hα-helixtrans-65.8-32.2178.4-172.8131.5000112.8F1024 W1025 L1026 N1032 F1036 I1040F1024-L1028 HydrophobicContact CE1-CD1 4.33Å; F1024-L1028 HydrophobicContact CZ-CD1 4.45Å; F1024-L1028 VanDerWaalsContact O-CB 3.31Å; F1024-L1028 WeakPolarHBondContact O-CB 3.14Å; F1024-L1028 PolarHBondContact O-N 3.04Å; W1025-L1028 HydrophobicContact CE3-CD2 4.23Å; W1025-L1028 HydrophobicContact CZ3-CD2 4.29Å; W1025-L1028 PolarHBondContact O-N 2.97Å; L1026-L1028 VanDerWaalsContact C-N 3.34Å; L1028-N1032 WeakPolarHBondContact O-CB 3.37Å; L1028-N1032 PolarHBondContact O-ND2 3.19Å; L1028-F1036 HydrophobicContact CD2-CE1 4.31Å; L1028-F1036 HydrophobicContact CG-CE1 4.47Å; L1028-I1040 HydrophobicContact CD2-CD1 4.13Å; L1028-I1040 HydrophobicContact CD2-CG2 4.35Å
1029F92Very high89.4Confident5 Ų559.7 Ų59.72%0.02228%0.282CS..Hα-helixtrans-80.7-40.5175.4-59.9-31.5000112.9M1004 I1007 W1025 L1026 V1027 V1037 I1040 W1041 Y1044M1004-F1029 HydrophobicContact CG-CB 4.27Å; M1004-F1029 HydrophobicContact SD-CB 4.07Å; I1007-F1029 HydrophobicContact CD1-CD2 4.07Å; I1007-F1029 HydrophobicContact CD1-CE2 4Å; W1025-F1029 HydrophobicContact CB-CE2 4Å; W1025-F1029 HydrophobicContact CB-CZ 4.36Å; W1025-F1029 HydrophobicContact CD2-CZ 4.4Å; W1025-F1029 HydrophobicContact CE3-CE1 4.01Å; W1025-F1029 HydrophobicContact CE3-CE2 4.48Å; W1025-F1029 AromaticContact CE3-CZ 3.71Å; W1025-F1029 HydrophobicContact CE3-CZ 3.71Å; W1025-F1029 HydrophobicContact CZ3-CZ 4.43Å; W1025-F1029 WeakPolarHBondContact O-CD2 3.29Å; W1025-F1029 WeakPolarHBondContact O-CG 3.42Å; W1025-F1029 PolarHBondContact O-N 3.47Å; L1026-F1029 PolarHBondContact O-N 3.41Å; V1027-F1029 VanDerWaalsContact C-N 3.33Å; V1027-F1029 PolarHBondContact O-N 2.86Å; F1029-V1037 HydrophobicContact CD1-CG1 3.84Å; F1029-V1037 HydrophobicContact CD1-CG2 4.35Å; F1029-V1037 HydrophobicContact CE1-CG1 4.36Å; F1029-V1037 HydrophobicContact CG-CG1 4.37Å; F1029-I1040 HydrophobicContact CE1-CG2 4.29Å; F1029-W1041 HydrophobicContact CD2-CZ3 4.11Å; F1029-W1041 HydrophobicContact CE1-CE3 4.4Å; F1029-W1041 HydrophobicContact CE1-CZ3 4.46Å; F1029-W1041 HydrophobicContact CE2-CE3 4.49Å; F1029-W1041 AromaticContact CE2-CZ3 3.91Å; F1029-W1041 HydrophobicContact CE2-CZ3 3.91Å; F1029-W1041 HydrophobicContact CG-CZ3 4.49Å; F1029-W1041 HydrophobicContact CZ-CE3 4.23Å; F1029-W1041 HydrophobicContact CZ-CZ3 4.1Å; F1029-Y1044 HydrophobicContact CE2-CD2 4.19Å; F1029-Y1044 HydrophobicContact CE2-CE2 4.31Å; F1029-Y1044 HydrophobicContact CE2-CG 4.38Å; F1029-Y1044 HydrophobicContact CZ-CD2 4Å; F1029-Y1044 HydrophobicContact CZ-CG 4.07Å
1030A89.6Confident89.5Confident24 Ų2461.4 Ų61.420%0.19829%0.291CS..Hα-helixtrans-75.1-31.5-174.200000114.2M1004 L1026 V1027 L1230M1004-A1030 HydrophobicContact SD-CB 4.49Å; L1026-A1030 VanDerWaalsContact O-CB 3.23Å; L1026-A1030 WeakPolarHBondContact O-CB 3.25Å; L1026-A1030 PolarHBondContact O-N 3.26Å; V1027-A1030 PolarHBondContact O-N 2.87Å; A1030-L1230 HydrophobicContact CB-CD1 3.85Å; A1030-L1230 HydrophobicContact CB-CD2 4.48Å
1031L87.5Confident89.6Confident102 Ų10260 Ų6053%0.53428%0.279SS..SBendtrans-90.7-9.9-178.1-61.6-178000114.3V1027 L1230V1027-L1031 HydrophobicContact CG1-CD1 3.78Å; V1027-L1031 HydrophobicContact CG1-CG 4.44Å; V1027-L1031 WeakPolarHBondContact O-CB 3.33Å; V1027-L1031 WeakPolarHBondContact O-CG 3.43Å; V1027-L1031 PolarHBondContact O-N 2.79Å; V1027-L1031 VanDerWaalsContact O-N 3.14Å; L1031-L1230 HydrophobicContact CD2-CD1 3.95Å; L1031-L1230 HydrophobicContact CG-CD1 4.16Å
1032N85.4Confident89.5Confident75 Ų7559 Ų5940%0.40128%0.276SS..SBendtrans-107.8159.6-173.9-76.5-57.9000114.2L1028 F1036L1028-N1032 WeakPolarHBondContact O-CB 3.37Å; L1028-N1032 PolarHBondContact O-ND2 3.19Å; N1032-F1036 HydrophobicContact CB-CD1 3.69Å; N1032-F1036 HydrophobicContact CB-CE1 4.27Å; N1032-F1036 HydrophobicContact CB-CG 4.5Å
1033K80.8Confident89.6Confident153 Ų15365.6 Ų65.667%0.66531%0.305SS*.  trans-70.2143.5178.4-62.5-176.8179.2-177.40111.9V1035 F1036 V1037K1033-V1035 PolarHBondContact O-N 3.19Å; K1033-F1036 WeakPolarHBondContact O-CB 3.44Å; K1033-F1036 PolarHBondContact O-N 3.25Å; K1033-V1037 PolarHBondContact O-N 3.18Å
1034R84.6Confident89.6Confident51 Ų5165.4 Ų65.419%0.19230%0.304CS..Hα-helixtrans-46.7-39180-172.5179.9-177.6113.7-4114.5L1000 F1036 V1037 R1038 E1125 N1129L1000-R1034 HydrophobicContact CD2-CG 4.21Å; R1034-F1036 VanDerWaalsContact C-N 3.31Å; R1034-F1036 PolarHBondContact O-N 3.18Å; R1034-V1037 PolarHBondContact O-N 2.83Å; R1034-R1038 PolarHBondContact O-N 3.49Å; R1034-E1125 IonicContact CZ-OE1 2.8Å; R1034-E1125 VanDerWaalsContact CZ-OE1 3.3Å; R1034-E1125 IonicContact NE-OE1 3.42Å; R1034-E1125 PolarHBondContact NE-OE1 2.97Å; R1034-E1125 VanDerWaalsContact NE-OE1 3.14Å; R1034-E1125 IonicContact NH2-OE1 3.55Å; R1034-E1125 PolarHBondContact NH2-OE1 3.02Å; R1034-N1129 PolarHBondContact NH2-ND2 3.38Å
1035V83.7Confident89.6Confident76 Ų7659.5 Ų59.546%0.46128%0.279SS..Hα-helixtrans-62.8-35.4179.2-179.20000112.6K1033K1033-V1035 PolarHBondContact O-N 3.19Å
1036F88.6Confident89.5Confident92 Ų9261.4 Ų61.440%0.40429%0.292SS..Hα-helixtrans-71.8-48.2176.4-179.2-103000110.6L1028 N1032 K1033 R1034 R1038 R1039 I1040L1028-F1036 HydrophobicContact CD2-CE1 4.31Å; L1028-F1036 HydrophobicContact CG-CE1 4.47Å; N1032-F1036 HydrophobicContact CB-CD1 3.69Å; N1032-F1036 HydrophobicContact CB-CE1 4.27Å; N1032-F1036 HydrophobicContact CB-CG 4.5Å; K1033-F1036 WeakPolarHBondContact O-CB 3.44Å; K1033-F1036 PolarHBondContact O-N 3.25Å; R1034-F1036 VanDerWaalsContact C-N 3.31Å; R1034-F1036 PolarHBondContact O-N 3.18Å; F1036-R1038 VanDerWaalsContact C-N 3.3Å; F1036-R1038 PolarHBondContact O-N 3.49Å; F1036-R1039 PolarHBondContact O-N 3.28Å; F1036-R1039 VanDerWaalsContact O-N 3.07Å; F1036-I1040 HydrophobicContact CD1-CD1 3.96Å; F1036-I1040 HydrophobicContact CD2-CD1 4.48Å; F1036-I1040 HydrophobicContact CE1-CD1 3.38Å; F1036-I1040 HydrophobicContact CE2-CD1 3.97Å; F1036-I1040 HydrophobicContact CG-CD1 4.49Å; F1036-I1040 HydrophobicContact CZ-CD1 3.39Å; F1036-I1040 PolarHBondContact O-N 3.13Å
1037V89.7Confident89.4Confident1 Ų164.1 Ų64.11%0.00630%0.303CS..Hα-helixtrans-55.8-43.9177.2-178.50000111.5L1000 F1029 K1033 R1034 R1039 I1040 W1041L1000-V1037 HydrophobicContact CD1-CG1 3.88Å; F1029-V1037 HydrophobicContact CD1-CG1 3.84Å; F1029-V1037 HydrophobicContact CD1-CG2 4.35Å; F1029-V1037 HydrophobicContact CE1-CG1 4.36Å; F1029-V1037 HydrophobicContact CG-CG1 4.37Å; K1033-V1037 PolarHBondContact O-N 3.18Å; R1034-V1037 PolarHBondContact O-N 2.83Å; V1037-R1039 VanDerWaalsContact C-N 3.26Å; V1037-R1039 PolarHBondContact O-N 3.27Å; V1037-I1040 PolarHBondContact O-N 3.44Å; V1037-I1040 VanDerWaalsContact O-N 3.13Å; V1037-W1041 HydrophobicContact CG1-CE3 3.87Å; V1037-W1041 HydrophobicContact CG1-CZ3 4.2Å; V1037-W1041 PolarHBondContact O-N 2.73Å
1038R88.9Confident89.4Confident99 Ų9962.1 Ų62.137%0.37429%0.29SS..Hα-helixtrans-56.1-34.7177.5-178.1173.265.5179.1-0.8113.7R1034 F1036 F1122R1034-R1038 PolarHBondContact O-N 3.49Å; F1036-R1038 VanDerWaalsContact C-N 3.3Å; F1036-R1038 PolarHBondContact O-N 3.49Å; R1038-F1122 HydrophobicContact CB-CD1 4.17Å; R1038-F1122 HydrophobicContact CB-CE1 4.12Å; R1038-F1122 HydrophobicContact CB-CZ 4.45Å; R1038-F1122 HydrophobicContact CG-CB 4.18Å; R1038-F1122 HydrophobicContact CG-CD1 3.8Å; R1038-F1122 HydrophobicContact CG-CE1 4.27Å; R1038-F1122 HydrophobicContact CG-CG 3.98Å
1039R88.4Confident89.3Confident191 Ų19161.4 Ų61.472%0.72129%0.29SS*.Hα-helixtrans-75.2-37.4178.5-69.1-178.9179.11710.8112.2F1036 V1037F1036-R1039 PolarHBondContact O-N 3.28Å; F1036-R1039 VanDerWaalsContact O-N 3.07Å; V1037-R1039 VanDerWaalsContact C-N 3.26Å; V1037-R1039 PolarHBondContact O-N 3.27Å
1040I91.6Very high89.3Confident35 Ų3566.1 Ų66.118%0.17931%0.314CS..Hα-helixtrans-80.5-25.6-176.6-69176.8000112.2W1025 L1028 F1029 F1036 V1037 V1042 F1043 Y1044W1025-I1040 HydrophobicContact CH2-CG2 4.47Å; W1025-I1040 HydrophobicContact CZ3-CG2 3.74Å; L1028-I1040 HydrophobicContact CD2-CD1 4.13Å; L1028-I1040 HydrophobicContact CD2-CG2 4.35Å; F1029-I1040 HydrophobicContact CE1-CG2 4.29Å; F1036-I1040 HydrophobicContact CD1-CD1 3.96Å; F1036-I1040 HydrophobicContact CD2-CD1 4.48Å; F1036-I1040 HydrophobicContact CE1-CD1 3.38Å; F1036-I1040 HydrophobicContact CE2-CD1 3.97Å; F1036-I1040 HydrophobicContact CG-CD1 4.49Å; F1036-I1040 HydrophobicContact CZ-CD1 3.39Å; F1036-I1040 PolarHBondContact O-N 3.13Å; V1037-I1040 PolarHBondContact O-N 3.44Å; V1037-I1040 VanDerWaalsContact O-N 3.13Å; I1040-V1042 PolarHBondContact O-N 3.33Å; I1040-F1043 WeakPolarHBondContact O-CB 3.15Å; I1040-F1043 PolarHBondContact O-N 3.18Å; I1040-Y1044 PolarHBondContact O-N 2.98Å
1041W92.7Very high89.4Confident1 Ų166 Ų660%0.00431%0.31CS..Hα-helixtrans-54.3-31.4-175.1-157.5-96.8000115.4L1000 T1003 F1029 V1037 F1043 Y1044 V1045 A1115 Q1118 F1122L1000-W1041 HydrophobicContact CD1-CH2 4.45Å; L1000-W1041 HydrophobicContact CD1-CZ3 4.07Å; T1003-W1041 HydrophobicContact CG2-CH2 4.36Å; T1003-W1041 HydrophobicContact CG2-CZ2 4.09Å; T1003-W1041 WeakPolarHBondContact OG1-CH2 3.22Å; F1029-W1041 HydrophobicContact CD2-CZ3 4.11Å; F1029-W1041 HydrophobicContact CE1-CE3 4.4Å; F1029-W1041 HydrophobicContact CE1-CZ3 4.46Å; F1029-W1041 HydrophobicContact CE2-CE3 4.49Å; F1029-W1041 AromaticContact CE2-CZ3 3.91Å; F1029-W1041 HydrophobicContact CE2-CZ3 3.91Å; F1029-W1041 HydrophobicContact CG-CZ3 4.49Å; F1029-W1041 HydrophobicContact CZ-CE3 4.23Å; F1029-W1041 HydrophobicContact CZ-CZ3 4.1Å; V1037-W1041 HydrophobicContact CG1-CE3 3.87Å; V1037-W1041 HydrophobicContact CG1-CZ3 4.2Å; V1037-W1041 PolarHBondContact O-N 2.73Å; W1041-F1043 VanDerWaalsContact C-N 3.32Å; W1041-F1043 PolarHBondContact O-N 3.47Å; W1041-Y1044 PolarHBondContact O-N 3.45Å; W1041-V1045 WeakPolarHBondContact O-CG2 3.18Å; W1041-V1045 PolarHBondContact O-N 3.45Å; W1041-V1045 VanDerWaalsContact O-N 3.07Å; W1041-A1115 HydrophobicContact CZ2-CB 4.02Å; W1041-A1115 PolarHBondContact NE1-O 2.9Å; W1041-Q1118 HydrophobicContact CZ2-CB 4.02Å; W1041-Q1118 HydrophobicContact CZ2-CG 3.84Å; W1041-F1122 HydrophobicContact CB-CD2 4.05Å; W1041-F1122 HydrophobicContact CB-CE2 3.91Å; W1041-F1122 AromaticContact CD1-CD2 3.84Å; W1041-F1122 AromaticContact CD1-CE2 3.96Å; W1041-F1122 HydrophobicContact CD2-CD2 4.4Å; W1041-F1122 AromaticContact CD2-CE2 3.74Å; W1041-F1122 HydrophobicContact CD2-CE2 3.74Å; W1041-F1122 HydrophobicContact CE3-CE2 4.22Å; W1041-F1122 AromaticContact CG-CD2 3.81Å; W1041-F1122 HydrophobicContact CG-CD2 3.81Å; W1041-F1122 AromaticContact CG-CE2 3.58Å; W1041-F1122 HydrophobicContact CG-CE2 3.58Å
1042V89.9Confident89.6Confident60 Ų6061.3 Ų61.336%0.36429%0.286SS..Hα-helixtrans-62.4-41.5177.9-177.30000111I1040 Y1044 V1045 I1046 L1119I1040-V1042 PolarHBondContact O-N 3.33Å; V1042-Y1044 VanDerWaalsContact C-N 3.34Å; V1042-V1045 PolarHBondContact O-N 2.71Å; V1042-I1046 HydrophobicContact CG1-CD1 4.09Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.44Å; V1042-I1046 PolarHBondContact O-N 2.8Å; V1042-I1046 VanDerWaalsContact O-N 3.14Å; V1042-L1119 HydrophobicContact CG2-CD1 3.94Å
1043F92.5Very high89.8Confident140 Ų14058.6 Ų58.661%0.61427%0.272SS*.Hα-helixtrans-67.3-36.3177.3-56.9-68.8000111.5I1040 W1041 I1046 Y1047I1040-F1043 WeakPolarHBondContact O-CB 3.15Å; I1040-F1043 PolarHBondContact O-N 3.18Å; W1041-F1043 VanDerWaalsContact C-N 3.32Å; W1041-F1043 PolarHBondContact O-N 3.47Å; F1043-I1046 PolarHBondContact O-N 3.48Å; F1043-Y1047 VanDerWaalsContact O-CB 3.31Å; F1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; F1043-Y1047 PolarHBondContact O-N 3.25Å
1044Y92.7Very high90.3Very high1 Ų156.3 Ų56.30%0.00427%0.266CS..Hα-helixtrans-64.5-41.7176-173.2-102.7000112.8I1007 Q1022 W1025 F1029 I1040 W1041 V1042 Y1047 M1048 V1111 A1115I1007-Y1044 HydrophobicContact CD1-CE1 4.32Å; Q1022-Y1044 PolarHBondContact OE1-OH 3.43Å; W1025-Y1044 HydrophobicContact CB-CE2 4.34Å; W1025-Y1044 HydrophobicContact CD2-CD2 4.09Å; W1025-Y1044 HydrophobicContact CD2-CE2 4.45Å; W1025-Y1044 HydrophobicContact CE3-CD2 4.44Å; W1025-Y1044 HydrophobicContact CG-CD2 4.2Å; W1025-Y1044 HydrophobicContact CG-CE2 4.08Å; F1029-Y1044 HydrophobicContact CE2-CD2 4.19Å; F1029-Y1044 HydrophobicContact CE2-CE2 4.31Å; F1029-Y1044 HydrophobicContact CE2-CG 4.38Å; F1029-Y1044 HydrophobicContact CZ-CD2 4Å; F1029-Y1044 HydrophobicContact CZ-CG 4.07Å; I1040-Y1044 PolarHBondContact O-N 2.98Å; W1041-Y1044 PolarHBondContact O-N 3.45Å; V1042-Y1044 VanDerWaalsContact C-N 3.34Å; Y1044-Y1047 HydrophobicContact CD2-CD1 4.28Å; Y1044-Y1047 HydrophobicContact CE2-CD1 4.28Å; Y1044-Y1047 WeakPolarHBondContact O-CB 3.37Å; Y1044-Y1047 PolarHBondContact O-N 2.87Å; Y1044-M1048 HydrophobicContact CD1-CG 4.41Å; Y1044-M1048 HydrophobicContact CE1-CG 3.96Å; Y1044-M1048 HydrophobicContact CE2-CG 4.45Å; Y1044-M1048 WeakPolarHBondContact O-CG 3.3Å; Y1044-M1048 PolarHBondContact O-N 3.17Å; Y1044-V1111 HydrophobicContact CE1-CG1 4.07Å; Y1044-V1111 VanDerWaalsContact OH-CG1 3.29Å; Y1044-V1111 WeakPolarHBondContact OH-CG1 3.23Å; Y1044-A1115 HydrophobicContact CD1-CB 4.18Å; Y1044-A1115 HydrophobicContact CE1-CB 4.17Å
1045V92Very high90.6Very high12 Ų1254.1 Ų54.17%0.07326%0.258CS..Hα-helixtrans-65.9-41.2175.6176.50000111.1W1041 V1042 M1048 A1049 A1115 L1119W1041-V1045 WeakPolarHBondContact O-CG2 3.18Å; W1041-V1045 PolarHBondContact O-N 3.45Å; W1041-V1045 VanDerWaalsContact O-N 3.07Å; V1042-V1045 PolarHBondContact O-N 2.71Å; V1045-M1048 PolarHBondContact O-N 3.24Å; V1045-A1049 VanDerWaalsContact O-CB 3.26Å; V1045-A1049 WeakPolarHBondContact O-CB 3.45Å; V1045-A1049 PolarHBondContact O-N 3.32Å; V1045-A1115 HydrophobicContact CG2-CB 3.92Å; V1045-A1115 WeakPolarHBondContact CG2-O 3.4Å; V1045-L1119 HydrophobicContact CB-CD2 4.25Å; V1045-L1119 HydrophobicContact CG1-CD2 4.08Å; V1045-L1119 HydrophobicContact CG2-CB 4.19Å; V1045-L1119 HydrophobicContact CG2-CD2 4.15Å
1046I91.1Very high90.9Very high89 Ų8950.6 Ų50.646%0.45624%0.237SC..Hα-helixtrans-64.1-43.3176.1-67.4167.7000110.8V1042 F1043 A1049 I1050V1042-I1046 HydrophobicContact CG1-CD1 4.09Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.44Å; V1042-I1046 PolarHBondContact O-N 2.8Å; V1042-I1046 VanDerWaalsContact O-N 3.14Å; F1043-I1046 PolarHBondContact O-N 3.48Å; I1046-A1049 PolarHBondContact O-N 3.24Å; I1046-I1050 HydrophobicContact CG2-CD1 3.8Å; I1046-I1050 WeakPolarHBondContact O-CG1 3.48Å; I1046-I1050 PolarHBondContact O-N 3.09Å
1047Y92.4Very high91Very high61 Ų6150.8 Ų50.824%0.23924%0.238CC..Hα-helixtrans-54.3-54.3173.8165.6-103.7000111.3F1043 Y1044 A1049 I1050 L1051F1043-Y1047 VanDerWaalsContact O-CB 3.31Å; F1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; F1043-Y1047 PolarHBondContact O-N 3.25Å; Y1044-Y1047 HydrophobicContact CD2-CD1 4.28Å; Y1044-Y1047 HydrophobicContact CE2-CD1 4.28Å; Y1044-Y1047 WeakPolarHBondContact O-CB 3.37Å; Y1044-Y1047 PolarHBondContact O-N 2.87Å; Y1047-A1049 PolarHBondContact O-N 3.41Å; Y1047-I1050 PolarHBondContact O-N 2.91Å; Y1047-L1051 HydrophobicContact CE1-CD2 4.07Å; Y1047-L1051 VanDerWaalsContact O-CB 3.23Å; Y1047-L1051 WeakPolarHBondContact O-CB 3.4Å; Y1047-L1051 PolarHBondContact O-N 3.45Å
1048M92.1Very high90.8Very high0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-64.4-36179-66.9-57.8-58.400113.2Q1022 Y1044 V1045 I1050 L1051 Y1052 D1108 V1111 L1112Q1022-M1048 PolarHBondContact NE2-SD 3.21Å; Y1044-M1048 HydrophobicContact CD1-CG 4.41Å; Y1044-M1048 HydrophobicContact CE1-CG 3.96Å; Y1044-M1048 HydrophobicContact CE2-CG 4.45Å; Y1044-M1048 WeakPolarHBondContact O-CG 3.3Å; Y1044-M1048 PolarHBondContact O-N 3.17Å; V1045-M1048 PolarHBondContact O-N 3.24Å; M1048-I1050 VanDerWaalsContact C-N 3.31Å; M1048-I1050 PolarHBondContact O-N 3.32Å; M1048-L1051 HydrophobicContact CE-CD2 4.37Å; M1048-L1051 PolarHBondContact O-N 3.49Å; M1048-L1051 HydrophobicContact SD-CD2 4.11Å; M1048-Y1052 PolarHBondContact O-N 3Å; M1048-Y1052 VanDerWaalsContact O-N 3.07Å; M1048-D1108 HydrophobicContact CE-CB 4.05Å; M1048-D1108 WeakPolarHBondContact CE-OD1 3.3Å; M1048-V1111 HydrophobicContact CE-CB 4.09Å; M1048-V1111 HydrophobicContact CE-CG1 3.87Å; M1048-V1111 HydrophobicContact CG-CG1 4.31Å; M1048-V1111 HydrophobicContact SD-CG1 4.24Å; M1048-L1112 HydrophobicContact CB-CB 4.28Å; M1048-L1112 HydrophobicContact CB-CD1 3.93Å
1049A89.8Confident90.8Very high21 Ų2148.2 Ų48.217%0.17423%0.232CC..Hα-helixtrans-69.6-26.7179.800000113.4V1045 I1046 Y1047 P1053 L1112V1045-A1049 VanDerWaalsContact O-CB 3.26Å; V1045-A1049 WeakPolarHBondContact O-CB 3.45Å; V1045-A1049 PolarHBondContact O-N 3.32Å; I1046-A1049 PolarHBondContact O-N 3.24Å; Y1047-A1049 PolarHBondContact O-N 3.41Å; A1049-P1053 WeakPolarHBondContact O-CD 3.39Å; A1049-L1112 HydrophobicContact CB-CD1 4.02Å
1050I91.8Very high90.7Very high104 Ų10440 Ų4053%0.53320%0.204SC..Hα-helixtrans-86.7-40.9172.6-65169.9000110.5I1046 Y1047 M1048 Y1052 P1053 L1054I1046-I1050 HydrophobicContact CG2-CD1 3.8Å; I1046-I1050 WeakPolarHBondContact O-CG1 3.48Å; I1046-I1050 PolarHBondContact O-N 3.09Å; Y1047-I1050 PolarHBondContact O-N 2.91Å; M1048-I1050 VanDerWaalsContact C-N 3.31Å; M1048-I1050 PolarHBondContact O-N 3.32Å; I1050-Y1052 PolarHBondContact O-N 2.99Å; I1050-P1053 WeakPolarHBondContact O-CD 3.37Å; I1050-L1054 HydrophobicContact CG2-CD1 4.44Å; I1050-L1054 VanDerWaalsContact O-CB 3.3Å; I1050-L1054 WeakPolarHBondContact O-CB 3.43Å; I1050-L1054 PolarHBondContact O-N 3.19Å
1051L91Very high90.3Very high23 Ų2339.3 Ų39.312%0.1221%0.205CC..Hα-helixtrans-59.4-46.1-178.9-175.769.2000111.8L1018 Y1047 M1048 L1054 Q1055L1018-L1051 HydrophobicContact CD2-CD1 4.31Å; Y1047-L1051 HydrophobicContact CE1-CD2 4.07Å; Y1047-L1051 VanDerWaalsContact O-CB 3.23Å; Y1047-L1051 WeakPolarHBondContact O-CB 3.4Å; Y1047-L1051 PolarHBondContact O-N 3.45Å; M1048-L1051 HydrophobicContact CE-CD2 4.37Å; M1048-L1051 PolarHBondContact O-N 3.49Å; M1048-L1051 HydrophobicContact SD-CD2 4.11Å; L1051-L1054 PolarHBondContact O-N 2.87Å; L1051-L1054 VanDerWaalsContact O-N 3.14Å; L1051-Q1055 VanDerWaalsContact O-CB 3.25Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.21Å; L1051-Q1055 PolarHBondContact O-N 3.3Å
1052Y91.3Very high89.8Confident3 Ų343.1 Ų43.11%0.01223%0.225CC..Hα-helixtrans-60.9-48.7-174.4175.4-100.2000113.7V852 M1048 I1050 F1056 L1105 D1108 F1109V852-Y1052 HydrophobicContact CG1-CD1 4.3Å; V852-Y1052 HydrophobicContact CG1-CE1 3.94Å; M1048-Y1052 PolarHBondContact O-N 3Å; M1048-Y1052 VanDerWaalsContact O-N 3.07Å; I1050-Y1052 PolarHBondContact O-N 2.99Å; Y1052-F1056 PolarHBondContact O-N 3.42Å; Y1052-F1056 VanDerWaalsContact O-N 3.17Å; Y1052-L1105 HydrophobicContact CD2-CD2 4.3Å; Y1052-L1105 HydrophobicContact CE2-CB 4.35Å; Y1052-L1105 HydrophobicContact CE2-CD2 4.19Å; Y1052-L1105 WeakPolarHBondContact CE2-O 3.45Å; Y1052-D1108 HydrophobicContact CD2-CB 4.4Å; Y1052-F1109 HydrophobicContact CD2-CB 4.38Å; Y1052-F1109 HydrophobicContact CE1-CD2 4.4Å; Y1052-F1109 HydrophobicContact CE2-CB 3.84Å; Y1052-F1109 HydrophobicContact CE2-CD2 4.4Å
1053P90.9Very high89.1Confident17 Ų1742 Ų4211%0.1122%0.218CC..Hα-helixtrans-62.9-39.7169.9-24.134.7000113.8V852 A1049 I1050 F1056 F1057V852-P1053 HydrophobicContact CG1-CB 4.4Å; V852-P1053 HydrophobicContact CG1-CG 4.5Å; A1049-P1053 WeakPolarHBondContact O-CD 3.39Å; I1050-P1053 WeakPolarHBondContact O-CD 3.37Å; P1053-F1056 PolarHBondContact O-N 2.91Å; P1053-F1057 HydrophobicContact CB-CE2 4.26Å; P1053-F1057 WeakPolarHBondContact O-CD2 3.32Å; P1053-F1057 WeakPolarHBondContact O-CG 3.48Å; P1053-F1057 PolarHBondContact O-N 3.47Å
1054L90.1Very high88.1Confident106 Ų10636.1 Ų36.156%0.55519%0.194SC*.Hα-helixtrans-66.1-40.1-177.3-154.3168.9000111.6I1050 L1051 F1057 S1058I1050-L1054 HydrophobicContact CG2-CD1 4.44Å; I1050-L1054 VanDerWaalsContact O-CB 3.3Å; I1050-L1054 WeakPolarHBondContact O-CB 3.43Å; I1050-L1054 PolarHBondContact O-N 3.19Å; L1051-L1054 PolarHBondContact O-N 2.87Å; L1051-L1054 VanDerWaalsContact O-N 3.14Å; L1054-F1057 PolarHBondContact O-N 3.11Å; L1054-S1058 PolarHBondContact O-N 3.36Å
1055Q90.9Very high86.9Confident4 Ų439.2 Ų39.22%0.01921%0.211CC..Hα-helixtrans-63.6-43.6172.5-173.6-178.112.600111.6L1051 F1057 S1058 Y1059 L1105 D1108L1051-Q1055 VanDerWaalsContact O-CB 3.25Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.21Å; L1051-Q1055 PolarHBondContact O-N 3.3Å; Q1055-F1057 VanDerWaalsContact C-N 3.33Å; Q1055-F1057 PolarHBondContact O-N 3.31Å; Q1055-S1058 WeakPolarHBondContact O-CB 3.41Å; Q1055-S1058 PolarHBondContact O-N 2.6Å; Q1055-Y1059 HydrophobicContact CG-CD1 4.46Å; Q1055-Y1059 HydrophobicContact CG-CE1 3.84Å; Q1055-Y1059 HydrophobicContact CG-CE2 4.08Å; Q1055-Y1059 PolarHBondContact NE2-OH 3.36Å; Q1055-Y1059 WeakPolarHBondContact O-CD1 3.32Å; Q1055-Y1059 PolarHBondContact O-N 2.81Å; Q1055-L1105 HydrophobicContact CB-CD2 4.31Å; Q1055-L1105 HydrophobicContact CG-CD2 3.9Å; Q1055-D1108 VanDerWaalsContact CD-OD2 3.31Å; Q1055-D1108 PolarHBondContact NE2-OD2 3.22Å; Q1055-D1108 PolarHBondContact OE1-OD2 2.98Å
1056F90.8Very high85.8Confident2 Ų241 Ų411%0.00922%0.224CC..Hα-helixtrans-61.6-40.2173.6-169.2-92.8000112I840 I844 I849 V852 Y1052 P1053 Y1059 V1060 L1105I840-F1056 HydrophobicContact CG2-CD2 4.23Å; I840-F1056 HydrophobicContact CG2-CE2 3.43Å; I840-F1056 VanDerWaalsContact CG2-CE2 3.43Å; I840-F1056 HydrophobicContact CG2-CZ 3.65Å; I844-F1056 HydrophobicContact CB-CE2 4.49Å; I844-F1056 HydrophobicContact CG1-CE2 4.45Å; I844-F1056 HydrophobicContact CG2-CE2 4.12Å; I844-F1056 HydrophobicContact CG2-CZ 4.33Å; I849-F1056 HydrophobicContact CG1-CD1 4.4Å; I849-F1056 HydrophobicContact CG1-CE1 4.02Å; V852-F1056 HydrophobicContact CG1-CB 4.46Å; V852-F1056 HydrophobicContact CG2-CD1 3.83Å; V852-F1056 HydrophobicContact CG2-CD2 4.16Å; V852-F1056 HydrophobicContact CG2-CE1 3.9Å; V852-F1056 HydrophobicContact CG2-CE2 4.25Å; V852-F1056 HydrophobicContact CG2-CG 3.96Å; V852-F1056 HydrophobicContact CG2-CZ 4.11Å; Y1052-F1056 PolarHBondContact O-N 3.42Å; Y1052-F1056 VanDerWaalsContact O-N 3.17Å; P1053-F1056 PolarHBondContact O-N 2.91Å; F1056-Y1059 PolarHBondContact O-N 3.05Å; F1056-V1060 HydrophobicContact CD1-CG2 4.06Å; F1056-V1060 HydrophobicContact CE1-CG2 3.7Å; F1056-V1060 HydrophobicContact CZ-CG2 4.16Å; F1056-V1060 WeakPolarHBondContact O-CG2 3.32Å; F1056-V1060 PolarHBondContact O-N 2.89Å; F1056-L1105 HydrophobicContact CD2-CD1 3.97Å
1057F89.7Confident84.9Confident97 Ų9739.3 Ų39.343%0.42522%0.22SC..Hα-helixtrans-63-41.8172.6-69.1-53.7000112.7I849 I853 P1053 L1054 Q1055 Y1059 V1060 G1061I849-F1057 HydrophobicContact CB-CE1 4.46Å; I849-F1057 HydrophobicContact CD1-CD1 4.31Å; I849-F1057 HydrophobicContact CD1-CE1 4.1Å; I849-F1057 HydrophobicContact CG1-CD1 4.46Å; I849-F1057 HydrophobicContact CG1-CE1 4.1Å; I849-F1057 HydrophobicContact CG2-CE1 3.58Å; I849-F1057 HydrophobicContact CG2-CZ 4.08Å; I853-F1057 HydrophobicContact CD1-CZ 4.33Å; P1053-F1057 HydrophobicContact CB-CE2 4.26Å; P1053-F1057 WeakPolarHBondContact O-CD2 3.32Å; P1053-F1057 WeakPolarHBondContact O-CG 3.48Å; P1053-F1057 PolarHBondContact O-N 3.47Å; L1054-F1057 PolarHBondContact O-N 3.11Å; Q1055-F1057 VanDerWaalsContact C-N 3.33Å; Q1055-F1057 PolarHBondContact O-N 3.31Å; F1057-Y1059 VanDerWaalsContact C-N 3.31Å; F1057-Y1059 PolarHBondContact O-N 3.39Å; F1057-V1060 PolarHBondContact O-N 3.44Å; F1057-G1061 PolarHBondContact O-N 2.9Å; F1057-G1061 VanDerWaalsContact O-N 3.08Å
1058S86Confident84.1Confident29 Ų2940.9 Ų40.920%0.20323%0.231CC..Hα-helixtrans-60.8-40.7175.6-1620000111.6L1054 Q1055 G1061 S1094L1054-S1058 PolarHBondContact O-N 3.36Å; Q1055-S1058 WeakPolarHBondContact O-CB 3.41Å; Q1055-S1058 PolarHBondContact O-N 2.6Å; S1058-G1061 PolarHBondContact O-N 3.2Å; S1058-S1094 WeakPolarHBondContact O-CB 3.34Å
1059Y88.5Confident83.1Confident17 Ų1744.5 Ų44.57%0.06725%0.248CC..Hα-helixtrans-73.7-31.6-179-66.62.7000113.3I844 Q1055 F1056 F1057 N1092 W1100 L1105I844-Y1059 HydrophobicContact CD1-CD2 4.42Å; Q1055-Y1059 HydrophobicContact CG-CD1 4.46Å; Q1055-Y1059 HydrophobicContact CG-CE1 3.84Å; Q1055-Y1059 HydrophobicContact CG-CE2 4.08Å; Q1055-Y1059 PolarHBondContact NE2-OH 3.36Å; Q1055-Y1059 WeakPolarHBondContact O-CD1 3.32Å; Q1055-Y1059 PolarHBondContact O-N 2.81Å; F1056-Y1059 PolarHBondContact O-N 3.05Å; F1057-Y1059 VanDerWaalsContact C-N 3.31Å; F1057-Y1059 PolarHBondContact O-N 3.39Å; Y1059-N1092 WeakPolarHBondContact CE1-OD1 3.39Å; Y1059-N1092 PolarHBondContact OH-OD1 3.45Å; Y1059-W1100 HydrophobicContact CD1-CB 4.2Å; Y1059-W1100 AromaticContact CD1-CD1 3.88Å; Y1059-W1100 AromaticContact CD1-CD2 3.52Å; Y1059-W1100 HydrophobicContact CD1-CD2 3.52Å; Y1059-W1100 AromaticContact CD1-CE2 3.83Å; Y1059-W1100 AromaticContact CD1-CE3 3.98Å; Y1059-W1100 HydrophobicContact CD1-CE3 3.98Å; Y1059-W1100 AromaticContact CD1-CG 3.6Å; Y1059-W1100 HydrophobicContact CD1-CG 3.6Å; Y1059-W1100 AromaticContact CD1-NE1 4Å; Y1059-W1100 HydrophobicContact CD2-CB 3.49Å; Y1059-W1100 VanDerWaalsContact CD2-CB 3.49Å; Y1059-W1100 HydrophobicContact CD2-CD2 4.42Å; Y1059-W1100 AromaticContact CD2-CG 3.81Å; Y1059-W1100 HydrophobicContact CD2-CG 3.81Å; Y1059-W1100 HydrophobicContact CE1-CB 4.45Å; Y1059-W1100 AromaticContact CE1-CD2 3.61Å; Y1059-W1100 HydrophobicContact CE1-CD2 3.61Å; Y1059-W1100 AromaticContact CE1-CE3 3.54Å; Y1059-W1100 HydrophobicContact CE1-CE3 3.54Å; Y1059-W1100 HydrophobicContact CE1-CG 4.01Å; Y1059-W1100 HydrophobicContact CE1-CZ3 4.07Å; Y1059-W1100 HydrophobicContact CE2-CB 3.75Å; Y1059-W1100 HydrophobicContact CE2-CD2 4.46Å; Y1059-W1100 HydrophobicContact CE2-CG 4.17Å; Y1059-W1100 HydrophobicContact CG-CB 3.75Å; Y1059-W1100 AromaticContact CG-CD1 3.73Å; Y1059-W1100 AromaticContact CG-CD2 3.99Å; Y1059-W1100 HydrophobicContact CG-CD2 3.99Å; Y1059-W1100 AromaticContact CG-CG 3.51Å; Y1059-W1100 HydrophobicContact CG-CG 3.51Å; Y1059-W1100 AromaticContact CZ-CE3 3.84Å; Y1059-L1105 HydrophobicContact CD2-CD1 3.82Å; Y1059-L1105 HydrophobicContact CD2-CD2 4.41Å; Y1059-L1105 HydrophobicContact CD2-CG 4.05Å; Y1059-L1105 HydrophobicContact CE2-CD1 4.07Å; Y1059-L1105 HydrophobicContact CE2-CD2 4.23Å; Y1059-L1105 HydrophobicContact CE2-CG 3.81Å
1060V86.7Confident82.6Confident19 Ų1944.5 Ų44.512%0.11524%0.244CC..Hα-helixtrans-71.4-35.2173171.10000111.8I844 W917 F1056 F1057I844-V1060 HydrophobicContact CG2-CG2 3.7Å; W917-V1060 HydrophobicContact CZ2-CG1 4.11Å; W917-V1060 PolarHBondContact NE1-O 3.24Å; F1056-V1060 HydrophobicContact CD1-CG2 4.06Å; F1056-V1060 HydrophobicContact CE1-CG2 3.7Å; F1056-V1060 HydrophobicContact CZ-CG2 4.16Å; F1056-V1060 WeakPolarHBondContact O-CG2 3.32Å; F1056-V1060 PolarHBondContact O-N 2.89Å; F1057-V1060 PolarHBondContact O-N 3.44Å
1061G82.7Confident82.2Confident20 Ų2043.4 Ų43.421%0.20624%0.244CC..  trans64-168.6175.900000115.3F1057 S1058 Y1070F1057-G1061 PolarHBondContact O-N 2.9Å; F1057-G1061 VanDerWaalsContact O-N 3.08Å; S1058-G1061 PolarHBondContact O-N 3.2Å; G1061-Y1070 WeakPolarHBondContact CA-OH 3.49Å
1062L82.1Confident81.6Confident80 Ų8045.7 Ų45.742%0.41925%0.251SS..SBendtrans-84150.7171.5-68.6174.5000110.6I1068 Y1070 Y1096L1062-I1068 HydrophobicContact CD1-CG2 4.48Å; L1062-Y1070 HydrophobicContact CB-CE1 4.29Å; L1062-Y1070 HydrophobicContact CD1-CD1 4.41Å; L1062-Y1070 HydrophobicContact CD1-CE1 4.01Å; L1062-Y1070 HydrophobicContact CG-CE1 4.08Å; L1062-Y1070 PolarHBondContact N-OH 2.04Å; L1062-Y1096 WeakPolarHBondContact CB-OH 3.34Å; L1062-Y1096 WeakPolarHBondContact O-CE1 3.16Å
1063P76.9Confident80.9Confident36 Ų3647 Ų4723%0.23426%0.26CS..  trans-64.9124.5179.525.9-34000111.3W917 D1065 S1066W917-P1063 HydrophobicContact CD2-CB 4.16Å; W917-P1063 HydrophobicContact CG-CB 4.38Å; P1063-D1065 PolarHBondContact O-N 3.27Å; P1063-S1066 WeakPolarHBondContact O-CB 3.48Å; P1063-S1066 PolarHBondContact O-N 3.27Å; P1063-S1066 VanDerWaalsContact O-N 3.11Å; P1063-S1066 PolarHBondContact O-OG 2.86Å
1064P69.9Low80.2Confident17 Ų1753.4 Ų53.411%0.1128%0.283CS..G310 helixtrans-66.8-31.3-173.621.8-30.1000114I912 S1066 C1067 Y1096I912-P1064 HydrophobicContact CB-CG 3.93Å; I912-P1064 WeakPolarHBondContact O-CG 3.33Å; P1064-S1066 PolarHBondContact O-N 3.4Å; P1064-C1067 PolarHBondContact O-N 3.44Å; P1064-Y1096 HydrophobicContact CB-CD1 3.97Å; P1064-Y1096 HydrophobicContact CB-CE1 3.95Å
1065D67.9Low79.3Confident66 Ų6658.7 Ų58.735%0.35330%0.296SS..G310 helixtrans-55.8-10.9171.4-85.2-20.7000113.7R900 S913 M914 P1063R900-D1065 IonicContact CZ-OD1 2.73Å; R900-D1065 IonicContact NE-OD1 3.28Å; R900-D1065 PolarHBondContact NE-OD1 3.12Å; R900-D1065 IonicContact NH2-OD1 2.78Å; S913-D1065 WeakPolarHBondContact CA-OD2 3.47Å; M914-D1065 PolarHBondContact N-OD2 3.27Å; P1063-D1065 PolarHBondContact O-N 3.27Å
1066S69.6Low78.4Confident50 Ų5059.6 Ų59.635%0.3530%0.301SS..G310 helixtrans-87.2-9.2174.869.40000115.3P1063 P1064 I1068P1063-S1066 WeakPolarHBondContact O-CB 3.48Å; P1063-S1066 PolarHBondContact O-N 3.27Å; P1063-S1066 VanDerWaalsContact O-N 3.11Å; P1063-S1066 PolarHBondContact O-OG 2.86Å; P1064-S1066 PolarHBondContact O-N 3.4Å; S1066-I1068 VanDerWaalsContact C-N 3.27Å; S1066-I1068 PolarHBondContact O-N 3.42Å
1067C72.4Confident77.1Confident53 Ų5364.5 Ų64.536%0.35833%0.333SS..  trans5627.3177.6-62.80000116.5C907 P1064C907-C1067 HydrophobicContact CB-CB 4.05Å; C907-C1067 WeakPolarHBondContact CB-SG 3.33Å; C907-C1067 WeakPolarHBondContact SG-CB 3.46Å; C907-C1067 CovalentContact SG-SG 2.03Å; C907-C1067 PolarHBondContact SG-SG 3.37Å; P1064-C1067 PolarHBondContact O-N 3.44Å
1068I74.4Confident76.2Confident94 Ų9464.2 Ų64.248%0.48234%0.343SS..  trans-92.1113.5-179.5-59172.9000110.3L1062 S1066 Y1096L1062-I1068 HydrophobicContact CD1-CG2 4.48Å; S1066-I1068 VanDerWaalsContact C-N 3.27Å; S1066-I1068 PolarHBondContact O-N 3.42Å; I1068-Y1096 VanDerWaalsContact O-CE2 3.3Å; I1068-Y1096 WeakPolarHBondContact O-CE2 3.49Å; I1068-Y1096 PolarHBondContact O-OH 2.91Å
1069E72.6Confident75.5Confident77 Ų7767.3 Ų67.336%0.3635%0.351SS..  trans-69.2139.5173.7-60.5-158.5132.800112.3H909 Y1074H909-E1069 IonicContact CD2-OE1 3.93Å; H909-E1069 IonicContact CE1-OE1 2.8Å; H909-E1069 IonicContact NE2-OE1 3.84Å; H909-E1069 PolarHBondContact NE2-OE1 3.46Å; E1069-Y1074 HydrophobicContact CB-CE2 4.4Å; E1069-Y1074 VanDerWaalsContact OE2-CZ 3.26Å; E1069-Y1074 PolarHBondContact OE2-OH 3.45Å
1070Y78.7Confident74.9Confident20 Ų2069 Ų698%0.07837%0.365CS..  trans-68.9139.7178.6-69-69.3000112.2G1061 L1062 W1072 S1073 S1094 Y1096G1061-Y1070 WeakPolarHBondContact CA-OH 3.49Å; L1062-Y1070 HydrophobicContact CB-CE1 4.29Å; L1062-Y1070 HydrophobicContact CD1-CD1 4.41Å; L1062-Y1070 HydrophobicContact CD1-CE1 4.01Å; L1062-Y1070 HydrophobicContact CG-CE1 4.08Å; L1062-Y1070 PolarHBondContact N-OH 2.04Å; Y1070-W1072 VanDerWaalsContact C-N 3.26Å; Y1070-W1072 VanDerWaalsContact CB-CE2 3.42Å; Y1070-W1072 VanDerWaalsContact CB-CZ2 3.46Å; Y1070-W1072 AromaticContact CD1-CH2 3.73Å; Y1070-W1072 HydrophobicContact CD1-CH2 3.73Å; Y1070-W1072 AromaticContact CD1-CZ2 3.51Å; Y1070-W1072 HydrophobicContact CD1-CZ2 3.51Å; Y1070-W1072 HydrophobicContact CD2-CZ2 4.15Å; Y1070-W1072 HydrophobicContact CE1-CH2 4.45Å; Y1070-W1072 HydrophobicContact CE1-CZ2 4.27Å; Y1070-W1072 AromaticContact CG-CE2 3.9Å; Y1070-W1072 HydrophobicContact CG-CH2 4.11Å; Y1070-W1072 AromaticContact CG-CZ2 3.45Å; Y1070-W1072 HydrophobicContact CG-CZ2 3.45Å; Y1070-W1072 VanDerWaalsContact CG-CZ2 3.45Å; Y1070-W1072 PolarHBondContact O-N 3.03Å; Y1070-S1073 WeakPolarHBondContact O-CB 3.49Å; Y1070-S1073 PolarHBondContact O-N 2.64Å; Y1070-S1073 PolarHBondContact O-OG 3.1Å; Y1070-S1094 WeakPolarHBondContact CD2-O 3.32Å; Y1070-S1094 WeakPolarHBondContact CE1-OG 3.37Å; Y1070-S1094 VanDerWaalsContact CZ-OG 3.3Å; Y1070-Y1096 AromaticContact CD2-CD2 3.81Å; Y1070-Y1096 HydrophobicContact CD2-CD2 3.81Å; Y1070-Y1096 AromaticContact CD2-CE2 3.6Å; Y1070-Y1096 HydrophobicContact CD2-CE2 3.6Å; Y1070-Y1096 HydrophobicContact CE2-CD1 4.2Å; Y1070-Y1096 AromaticContact CE2-CD2 3.51Å; Y1070-Y1096 HydrophobicContact CE2-CD2 3.51Å; Y1070-Y1096 HydrophobicContact CE2-CE1 4.05Å; Y1070-Y1096 AromaticContact CE2-CE2 3.3Å; Y1070-Y1096 HydrophobicContact CE2-CE2 3.3Å; Y1070-Y1096 AromaticContact CE2-CG 3.95Å; Y1070-Y1096 HydrophobicContact CE2-CG 3.95Å; Y1070-Y1096 AromaticContact CE2-CZ 3.61Å; Y1070-Y1096 HydrophobicContact CG-CE2 4.43Å; Y1070-Y1096 AromaticContact CZ-CE2 3.94Å; Y1070-Y1096 AromaticContact CZ-CZ 3.77Å
1071P82.3Confident74.5Confident82 Ų8273.3 Ų73.353%0.53239%0.387SS..THydrogen-bonded Turntrans-56.4-30-171.7-28.735.5000116.5S1073P1071-S1073 VanDerWaalsContact C-N 3.29Å; P1071-S1073 PolarHBondContact O-N 2.78Å
1072W80.4Confident74.5Confident71 Ų7174 Ų7427%0.26939%0.386SS..Hα-helixtrans-73.3-14.4-179.945.683.3000114.3Y1070 Y1074 W1075 L1093 S1094Y1070-W1072 VanDerWaalsContact C-N 3.26Å; Y1070-W1072 VanDerWaalsContact CB-CE2 3.42Å; Y1070-W1072 VanDerWaalsContact CB-CZ2 3.46Å; Y1070-W1072 AromaticContact CD1-CH2 3.73Å; Y1070-W1072 HydrophobicContact CD1-CH2 3.73Å; Y1070-W1072 AromaticContact CD1-CZ2 3.51Å; Y1070-W1072 HydrophobicContact CD1-CZ2 3.51Å; Y1070-W1072 HydrophobicContact CD2-CZ2 4.15Å; Y1070-W1072 HydrophobicContact CE1-CH2 4.45Å; Y1070-W1072 HydrophobicContact CE1-CZ2 4.27Å; Y1070-W1072 AromaticContact CG-CE2 3.9Å; Y1070-W1072 HydrophobicContact CG-CH2 4.11Å; Y1070-W1072 AromaticContact CG-CZ2 3.45Å; Y1070-W1072 HydrophobicContact CG-CZ2 3.45Å; Y1070-W1072 VanDerWaalsContact CG-CZ2 3.45Å; Y1070-W1072 PolarHBondContact O-N 3.03Å; W1072-Y1074 PolarHBondContact O-N 2.8Å; W1072-W1075 PolarHBondContact O-N 2.73Å; W1072-W1075 VanDerWaalsContact O-N 3.17Å; W1072-L1093 HydrophobicContact CB-CD1 4.09Å; W1072-L1093 HydrophobicContact CD2-CB 4.17Å; W1072-L1093 HydrophobicContact CD2-CD1 4.17Å; W1072-L1093 HydrophobicContact CD2-CD2 4.24Å; W1072-L1093 HydrophobicContact CD2-CG 4.43Å; W1072-L1093 HydrophobicContact CE3-CD2 4.15Å; W1072-L1093 HydrophobicContact CG-CB 4.42Å; W1072-L1093 HydrophobicContact CG-CD1 3.86Å; W1072-L1093 HydrophobicContact CZ2-CB 4.23Å; W1072-L1093 HydrophobicContact CZ3-CD2 4.43Å; W1072-S1094 WeakPolarHBondContact CH2-OG 3.34Å; W1072-S1094 WeakPolarHBondContact CZ2-O 3.39Å; W1072-S1094 WeakPolarHBondContact CZ2-OG 3.47Å; W1072-S1094 PolarHBondContact NE1-O 3.14Å
1073S74.7Confident74.4Confident30 Ų3070.4 Ų70.421%0.2137%0.368CS..Hα-helixtrans-57.8-35.2174.365.70000111.9Y1070 P1071 R1084Y1070-S1073 WeakPolarHBondContact O-CB 3.49Å; Y1070-S1073 PolarHBondContact O-N 2.64Å; Y1070-S1073 PolarHBondContact O-OG 3.1Å; P1071-S1073 VanDerWaalsContact C-N 3.29Å; P1071-S1073 PolarHBondContact O-N 2.78Å; S1073-R1084 PolarHBondContact O-NH1 3.32Å
1074Y77.1Confident74.7Confident152 Ų15272.9 Ų72.960%0.59637%0.373SS*.Hα-helixtrans-85.9-22.3178.2-54.9-67.3000114E1069 W1072 I1076E1069-Y1074 HydrophobicContact CB-CE2 4.4Å; E1069-Y1074 VanDerWaalsContact OE2-CZ 3.26Å; E1069-Y1074 PolarHBondContact OE2-OH 3.45Å; W1072-Y1074 PolarHBondContact O-N 2.8Å; Y1074-I1076 VanDerWaalsContact C-N 3.33Å
1075W71.9Confident75.4Confident217 Ų21774.1 Ų74.182%0.82238%0.376SS*.Hα-helixtrans-80.5-14.8-175.8-7535.6000113.1W1072 P1077W1072-W1075 PolarHBondContact O-N 2.73Å; W1072-W1075 VanDerWaalsContact O-N 3.17Å; W1075-P1077 WeakPolarHBondContact O-CD 3.02Å
1076I71.3Confident76.3Confident23 Ų2371 Ų7112%0.11836%0.36CS..  trans-121.157.9-175.1-47.3174000111.1Y1074 Y1079 R1084 L1087Y1074-I1076 VanDerWaalsContact C-N 3.33Å; I1076-Y1079 HydrophobicContact CG2-CD2 3.9Å; I1076-Y1079 HydrophobicContact CG2-CE2 4.41Å; I1076-R1084 HydrophobicContact CB-CG 4.38Å; I1076-R1084 HydrophobicContact CG2-CG 4.21Å; I1076-R1084 WeakPolarHBondContact O-CD 3.2Å; I1076-L1087 HydrophobicContact CD1-CD2 4.32Å; I1076-L1087 HydrophobicContact CG2-CD2 3.79Å
1077P63.1Low77.2Confident104 Ų10470 Ų7068%0.67535%0.35SS*.  trans-88.1-5.8-172.236.2-38000115.4W1075W1075-P1077 WeakPolarHBondContact O-CD 3.02Å
1078S70.5Confident77.8Confident92 Ų9268 Ų6864%0.64334%0.337SS*.SBendtrans-94.712.7-167.767.30000115.7
1079Y73Confident78.5Confident94 Ų9463.8 Ų63.837%0.36932%0.315SS..SBendtrans-131.5158.7-173.5-59.9-76.4000110.7I1076 F1246I1076-Y1079 HydrophobicContact CG2-CD2 3.9Å; I1076-Y1079 HydrophobicContact CG2-CE2 4.41Å; Y1079-F1246 HydrophobicContact CE1-CD1 4.48Å; Y1079-F1246 AromaticContact CE1-CE1 3.78Å; Y1079-F1246 HydrophobicContact CE1-CE1 3.78Å; Y1079-F1246 HydrophobicContact CE1-CZ 4.42Å
1080S75.7Confident79.1Confident51 Ų5160.2 Ų60.236%0.35730%0.298SS..  trans-62.1156.5172.756.80000111.2D1082 A1083 R1084S1080-D1082 VanDerWaalsContact C-N 3.31Å; S1080-D1082 PolarHBondContact O-N 2.75Å; S1080-A1083 PolarHBondContact O-N 3.21Å; S1080-A1083 WeakPolarHBondContact OG-CB 3.32Å; S1080-R1084 WeakPolarHBondContact O-CB 3.48Å; S1080-R1084 PolarHBondContact O-N 3.34Å
1081D78.5Confident79.5Confident111 Ų11163.3 Ų63.359%0.59432%0.316SS*.Hα-helixtrans-58.1-40.6-174.3-75-50000113.3R1084 F1085D1081-R1084 PolarHBondContact O-N 3.48Å; D1081-R1084 IonicContact OD1-CZ 3.63Å; D1081-R1084 IonicContact OD1-NE 3.97Å; D1081-R1084 IonicContact OD1-NH2 2.76Å; D1081-R1084 PolarHBondContact OD1-NH2 3.17Å; D1081-F1085 WeakPolarHBondContact O-CB 3.47Å; D1081-F1085 PolarHBondContact O-N 3Å
1082D81.3Confident79.7Confident34 Ų3460.2 Ų60.218%0.18230%0.295CS..Hα-helixtrans-64.3-39.6175-69.4-39.3000111.9S1080 F1085 N1086 H1277 L1279S1080-D1082 VanDerWaalsContact C-N 3.31Å; S1080-D1082 PolarHBondContact O-N 2.75Å; D1082-F1085 PolarHBondContact O-N 3.22Å; D1082-N1086 WeakPolarHBondContact O-CB 3.23Å; D1082-N1086 PolarHBondContact O-N 3.19Å; D1082-N1086 PolarHBondContact O-OD1 2.92Å; D1082-H1277 HydrophobicContact CB-CB 4.04Å; D1082-H1277 IonicContact OD1-CE1 2.74Å; D1082-H1277 IonicContact OD1-CG 3.92Å; D1082-H1277 IonicContact OD1-ND1 3.53Å; D1082-H1277 PolarHBondContact OD1-ND1 3.35Å; D1082-L1279 HydrophobicContact CB-CD2 4.31Å
1083A79.6Confident79.8Confident4 Ų459 Ų593%0.03329%0.293CS..Hα-helixtrans-70.6-35.9176.100000112.4S1080 L1087 V1245 L1279S1080-A1083 PolarHBondContact O-N 3.21Å; S1080-A1083 WeakPolarHBondContact OG-CB 3.32Å; A1083-L1087 WeakPolarHBondContact O-CB 3.47Å; A1083-L1087 PolarHBondContact O-N 3.01Å; A1083-V1245 HydrophobicContact CB-CG1 4.5Å; A1083-L1279 HydrophobicContact CB-CD2 4.14Å
1084R83.4Confident80.3Confident88 Ų8858 Ų5833%0.33229%0.286SS..Hα-helixtrans-65.6-42.6174-178.9167.865.9147.9-6111.2S1073 I1076 S1080 D1081 S1088S1073-R1084 PolarHBondContact O-NH1 3.32Å; I1076-R1084 HydrophobicContact CB-CG 4.38Å; I1076-R1084 HydrophobicContact CG2-CG 4.21Å; I1076-R1084 WeakPolarHBondContact O-CD 3.2Å; S1080-R1084 WeakPolarHBondContact O-CB 3.48Å; S1080-R1084 PolarHBondContact O-N 3.34Å; D1081-R1084 PolarHBondContact O-N 3.48Å; D1081-R1084 IonicContact OD1-CZ 3.63Å; D1081-R1084 IonicContact OD1-NE 3.97Å; D1081-R1084 IonicContact OD1-NH2 2.76Å; D1081-R1084 PolarHBondContact OD1-NH2 3.17Å; R1084-S1088 PolarHBondContact O-N 2.94Å; R1084-S1088 PolarHBondContact O-OG 3.17Å
1085F85.3Confident80.4Confident43 Ų4352.3 Ų52.319%0.18927%0.266CS..Hα-helixtrans-62.1-50.7172.8-179.4-89.8000111.8D1081 D1082 L1087 S1088 Y1089 I1095 V1098 H1277D1081-F1085 WeakPolarHBondContact O-CB 3.47Å; D1081-F1085 PolarHBondContact O-N 3Å; D1082-F1085 PolarHBondContact O-N 3.22Å; F1085-L1087 VanDerWaalsContact C-N 3.27Å; F1085-L1087 PolarHBondContact O-N 3.31Å; F1085-S1088 PolarHBondContact O-N 3.48Å; F1085-S1088 PolarHBondContact O-OG 3.13Å; F1085-Y1089 WeakPolarHBondContact O-CB 3.43Å; F1085-Y1089 PolarHBondContact O-N 2.95Å; F1085-I1095 HydrophobicContact CE2-CD1 4.37Å; F1085-I1095 HydrophobicContact CE2-CG2 4.49Å; F1085-V1098 HydrophobicContact CE2-CG2 3.62Å; F1085-V1098 HydrophobicContact CZ-CG2 3.9Å; F1085-H1277 HydrophobicContact CD1-CB 4.49Å; F1085-H1277 AromaticContact CD1-CD2 3.61Å; F1085-H1277 AromaticContact CD1-CG 3.83Å; F1085-H1277 AromaticContact CD1-NE2 3.81Å; F1085-H1277 AromaticContact CE1-CD2 3.45Å; F1085-H1277 VanDerWaalsContact CE1-CD2 3.45Å; F1085-H1277 WeakPolarHBondContact CE1-CD2 3.45Å; F1085-H1277 AromaticContact CE1-NE2 3.55Å; F1085-H1277 AromaticContact CZ-NE2 3.84Å
1086N87.6Confident80.7Confident1 Ų143.6 Ų43.61%0.00523%0.233CC..Hα-helixtrans-57.9-41.3178.2-71.8-3.9000111.8D1082 L1090 C1244 V1245 C1276 H1277D1082-N1086 WeakPolarHBondContact O-CB 3.23Å; D1082-N1086 PolarHBondContact O-N 3.19Å; D1082-N1086 PolarHBondContact O-OD1 2.92Å; N1086-L1090 VanDerWaalsContact O-CB 3.31Å; N1086-L1090 WeakPolarHBondContact O-CB 3.43Å; N1086-L1090 WeakPolarHBondContact O-CD1 3.42Å; N1086-L1090 VanDerWaalsContact O-CG 3.23Å; N1086-L1090 WeakPolarHBondContact O-CG 3.25Å; N1086-L1090 PolarHBondContact O-N 3.29Å; N1086-C1244 PolarHBondContact ND2-O 3.19Å; N1086-V1245 HydrophobicContact CB-CG2 4.22Å; N1086-C1276 HydrophobicContact CB-CB 4.5Å; N1086-C1276 WeakPolarHBondContact OD1-CA 3.41Å; N1086-H1277 PolarHBondContact ND2-O 3.16Å; N1086-H1277 PolarHBondContact OD1-N 3.45Å
1087L86.6Confident80.7Confident29 Ų2945.7 Ų45.715%0.15226%0.261CS..Hα-helixtrans-68.1-43.6178.4-175.460.1000112.4I1076 A1083 F1085 L1091 V1245I1076-L1087 HydrophobicContact CD1-CD2 4.32Å; I1076-L1087 HydrophobicContact CG2-CD2 3.79Å; A1083-L1087 WeakPolarHBondContact O-CB 3.47Å; A1083-L1087 PolarHBondContact O-N 3.01Å; F1085-L1087 VanDerWaalsContact C-N 3.27Å; F1085-L1087 PolarHBondContact O-N 3.31Å; L1087-L1091 HydrophobicContact CD1-CD1 3.98Å; L1087-L1091 HydrophobicContact CD1-CG 4.25Å; L1087-L1091 HydrophobicContact CG-CD1 4.01Å; L1087-L1091 WeakPolarHBondContact O-CB 3.02Å; L1087-L1091 VanDerWaalsContact O-CG 3.23Å; L1087-L1091 WeakPolarHBondContact O-CG 3.39Å; L1087-L1091 PolarHBondContact O-N 2.83Å; L1087-L1091 VanDerWaalsContact O-N 3.07Å; L1087-V1245 HydrophobicContact CB-CG1 4.47Å; L1087-V1245 HydrophobicContact CB-CG2 4.23Å; L1087-V1245 HydrophobicContact CD1-CG2 4.46Å
1088S86.4Confident81.2Confident11 Ų1142.2 Ų42.28%0.07724%0.237CC..Hα-helixtrans-67.4-36.9177.8570000112.5R1084 F1085 L1091 N1092 L1093 I1095R1084-S1088 PolarHBondContact O-N 2.94Å; R1084-S1088 PolarHBondContact O-OG 3.17Å; F1085-S1088 PolarHBondContact O-N 3.48Å; F1085-S1088 PolarHBondContact O-OG 3.13Å; S1088-L1091 PolarHBondContact O-N 3.07Å; S1088-N1092 PolarHBondContact O-N 3.42Å; S1088-L1093 PolarHBondContact O-N 2.91Å; S1088-L1093 VanDerWaalsContact O-N 3.17Å; S1088-I1095 VanDerWaalsContact OG-CD1 3.25Å; S1088-I1095 WeakPolarHBondContact OG-CD1 3.26Å
1089Y87.9Confident81.6Confident5 Ų545 Ų452%0.0225%0.245CC..Hα-helixtrans-63.9-51.3173.8-171.5-84.5000111.7F1085 L1091 N1092 V1098 W1100 E1275F1085-Y1089 WeakPolarHBondContact O-CB 3.43Å; F1085-Y1089 PolarHBondContact O-N 2.95Å; Y1089-L1091 PolarHBondContact O-N 2.74Å; Y1089-N1092 WeakPolarHBondContact O-CA 3.48Å; Y1089-N1092 PolarHBondContact O-N 2.69Å; Y1089-V1098 HydrophobicContact CD2-CG1 4.38Å; Y1089-V1098 HydrophobicContact CE2-CG1 4.21Å; Y1089-W1100 HydrophobicContact CD2-CH2 4.44Å; Y1089-W1100 HydrophobicContact CD2-CZ3 4.26Å; Y1089-W1100 HydrophobicContact CE2-CE3 4.32Å; Y1089-W1100 AromaticContact CE2-CZ3 4Å; Y1089-W1100 HydrophobicContact CE2-CZ3 4Å; Y1089-E1275 HydrophobicContact CD1-CB 4.43Å; Y1089-E1275 HydrophobicContact CE1-CB 3.7Å; Y1089-E1275 HydrophobicContact CE1-CG 4.46Å; Y1089-E1275 HydrophobicContact CE2-CB 3.89Å; Y1089-E1275 WeakPolarHBondContact OH-CB 3.06Å; Y1089-E1275 WeakPolarHBondContact OH-CG 2.97Å
1090L86.5Confident82.2Confident3 Ų341.4 Ų41.42%0.01623%0.231CC..Hα-helixtrans-63.9-25.6179.3-73.5168.7000113.4A1017 N1086 N1092 C1244 V1245A1017-L1090 WeakPolarHBondContact CB-O 3.36Å; A1017-L1090 PolarHBondContact N-O 3.17Å; N1086-L1090 VanDerWaalsContact O-CB 3.31Å; N1086-L1090 WeakPolarHBondContact O-CB 3.43Å; N1086-L1090 WeakPolarHBondContact O-CD1 3.42Å; N1086-L1090 VanDerWaalsContact O-CG 3.23Å; N1086-L1090 WeakPolarHBondContact O-CG 3.25Å; N1086-L1090 PolarHBondContact O-N 3.29Å; L1090-N1092 VanDerWaalsContact C-N 3.32Å; L1090-C1244 HydrophobicContact CD1-CB 3.9Å; L1090-V1245 HydrophobicContact CD1-CG2 4.14Å
1091L86.3Confident82.6Confident84 Ų8440.4 Ų40.444%0.4422%0.223SC..THydrogen-bonded Turntrans-83.9-2.4172.8-68.9173.2000113.8A1017 L1087 S1088 Y1089 L1093A1017-L1091 HydrophobicContact CB-CD2 4.16Å; L1087-L1091 HydrophobicContact CD1-CD1 3.98Å; L1087-L1091 HydrophobicContact CD1-CG 4.25Å; L1087-L1091 HydrophobicContact CG-CD1 4.01Å; L1087-L1091 WeakPolarHBondContact O-CB 3.02Å; L1087-L1091 VanDerWaalsContact O-CG 3.23Å; L1087-L1091 WeakPolarHBondContact O-CG 3.39Å; L1087-L1091 PolarHBondContact O-N 2.83Å; L1087-L1091 VanDerWaalsContact O-N 3.07Å; S1088-L1091 PolarHBondContact O-N 3.07Å; Y1089-L1091 PolarHBondContact O-N 2.74Å; L1091-L1093 VanDerWaalsContact C-N 3.3Å; L1091-L1093 HydrophobicContact CB-CD1 4.05Å; L1091-L1093 HydrophobicContact CB-CG 4.02Å; L1091-L1093 HydrophobicContact CD1-CD1 4.28Å; L1091-L1093 PolarHBondContact O-N 3.24Å
1092N85.9Confident83.1Confident17 Ų1736.9 Ų36.99%0.09121%0.207CC..THydrogen-bonded Turntrans58.635.7-179.6-158.752.9000114.1L1018 Y1059 S1088 Y1089 L1090 W1100L1018-N1092 HydrophobicContact CD1-CB 4.16Å; L1018-N1092 WeakPolarHBondContact CD1-ND2 3.19Å; Y1059-N1092 WeakPolarHBondContact CE1-OD1 3.39Å; Y1059-N1092 PolarHBondContact OH-OD1 3.45Å; S1088-N1092 PolarHBondContact O-N 3.42Å; Y1089-N1092 WeakPolarHBondContact O-CA 3.48Å; Y1089-N1092 PolarHBondContact O-N 2.69Å; L1090-N1092 VanDerWaalsContact C-N 3.32Å; N1092-W1100 VanDerWaalsContact OD1-CZ3 3.26Å; N1092-W1100 WeakPolarHBondContact OD1-CZ3 3.41Å
1093L83.9Confident83.4Confident46 Ų4637.7 Ų37.724%0.24122%0.219CC..  trans-85.7149.8176-64171.8000110.5W1072 S1088 L1091 W1100W1072-L1093 HydrophobicContact CB-CD1 4.09Å; W1072-L1093 HydrophobicContact CD2-CB 4.17Å; W1072-L1093 HydrophobicContact CD2-CD1 4.17Å; W1072-L1093 HydrophobicContact CD2-CD2 4.24Å; W1072-L1093 HydrophobicContact CD2-CG 4.43Å; W1072-L1093 HydrophobicContact CE3-CD2 4.15Å; W1072-L1093 HydrophobicContact CG-CB 4.42Å; W1072-L1093 HydrophobicContact CG-CD1 3.86Å; W1072-L1093 HydrophobicContact CZ2-CB 4.23Å; W1072-L1093 HydrophobicContact CZ3-CD2 4.43Å; S1088-L1093 PolarHBondContact O-N 2.91Å; S1088-L1093 VanDerWaalsContact O-N 3.17Å; L1091-L1093 VanDerWaalsContact C-N 3.3Å; L1091-L1093 HydrophobicContact CB-CD1 4.05Å; L1091-L1093 HydrophobicContact CB-CG 4.02Å; L1091-L1093 HydrophobicContact CD1-CD1 4.28Å; L1091-L1093 PolarHBondContact O-N 3.24Å; L1093-W1100 WeakPolarHBondContact O-CH2 3.06Å; L1093-W1100 VanDerWaalsContact O-CZ2 3.25Å; L1093-W1100 WeakPolarHBondContact O-CZ2 3.36Å
1094S84.5Confident83.9Confident8 Ų838.3 Ų38.36%0.05622%0.22CC..  trans-71.9139.3-178.859.70000112.6S1058 Y1070 W1072S1058-S1094 WeakPolarHBondContact O-CB 3.34Å; Y1070-S1094 WeakPolarHBondContact CD2-O 3.32Å; Y1070-S1094 WeakPolarHBondContact CE1-OG 3.37Å; Y1070-S1094 VanDerWaalsContact CZ-OG 3.3Å; W1072-S1094 WeakPolarHBondContact CH2-OG 3.34Å; W1072-S1094 WeakPolarHBondContact CZ2-O 3.39Å; W1072-S1094 WeakPolarHBondContact CZ2-OG 3.47Å; W1072-S1094 PolarHBondContact NE1-O 3.14Å
1095I79.4Confident84.2Confident34 Ų3434.2 Ų34.217%0.17421%0.205CC..  trans-137.8135.7-175.7-52.1167.8000107.2F1085 S1088 V1098F1085-I1095 HydrophobicContact CE2-CD1 4.37Å; F1085-I1095 HydrophobicContact CE2-CG2 4.49Å; S1088-I1095 VanDerWaalsContact OG-CD1 3.25Å; S1088-I1095 WeakPolarHBondContact OG-CD1 3.26Å; I1095-V1098 HydrophobicContact CB-CB 4.49Å; I1095-V1098 HydrophobicContact CB-CG2 3.94Å; I1095-V1098 HydrophobicContact CD1-CG2 4.45Å; I1095-V1098 HydrophobicContact CG2-CG2 3.84Å
1096Y78.7Confident84.4Confident33 Ų3334.1 Ų34.113%0.12921%0.206CC..THydrogen-bonded Turntrans-69.5139.1174.6-70.4-68.8000111.1H909 L1062 P1064 I1068 Y1070 V1098H909-Y1096 HydrophobicContact CB-CD2 3.86Å; H909-Y1096 HydrophobicContact CB-CG 3.86Å; L1062-Y1096 WeakPolarHBondContact CB-OH 3.34Å; L1062-Y1096 WeakPolarHBondContact O-CE1 3.16Å; P1064-Y1096 HydrophobicContact CB-CD1 3.97Å; P1064-Y1096 HydrophobicContact CB-CE1 3.95Å; I1068-Y1096 VanDerWaalsContact O-CE2 3.3Å; I1068-Y1096 WeakPolarHBondContact O-CE2 3.49Å; I1068-Y1096 PolarHBondContact O-OH 2.91Å; Y1070-Y1096 AromaticContact CD2-CD2 3.81Å; Y1070-Y1096 HydrophobicContact CD2-CD2 3.81Å; Y1070-Y1096 AromaticContact CD2-CE2 3.6Å; Y1070-Y1096 HydrophobicContact CD2-CE2 3.6Å; Y1070-Y1096 HydrophobicContact CE2-CD1 4.2Å; Y1070-Y1096 AromaticContact CE2-CD2 3.51Å; Y1070-Y1096 HydrophobicContact CE2-CD2 3.51Å; Y1070-Y1096 HydrophobicContact CE2-CE1 4.05Å; Y1070-Y1096 AromaticContact CE2-CE2 3.3Å; Y1070-Y1096 HydrophobicContact CE2-CE2 3.3Å; Y1070-Y1096 AromaticContact CE2-CG 3.95Å; Y1070-Y1096 HydrophobicContact CE2-CG 3.95Å; Y1070-Y1096 AromaticContact CE2-CZ 3.61Å; Y1070-Y1096 HydrophobicContact CG-CE2 4.43Å; Y1070-Y1096 AromaticContact CZ-CE2 3.94Å; Y1070-Y1096 AromaticContact CZ-CZ 3.77Å; Y1096-V1098 PolarHBondContact O-N 3.34Å
1097G69.8Low84.5Confident68 Ų6834.8 Ų34.870%0.70121%0.213SC*.THydrogen-bonded Turntrans81.7-1.6175.700000116.7
1098V75Confident84.7Confident30 Ų3033.4 Ų33.418%0.18221%0.206CC..  trans-94.9124.1177.4-178.90000110.9F1085 Y1089 I1095 Y1096 W1100F1085-V1098 HydrophobicContact CE2-CG2 3.62Å; F1085-V1098 HydrophobicContact CZ-CG2 3.9Å; Y1089-V1098 HydrophobicContact CD2-CG1 4.38Å; Y1089-V1098 HydrophobicContact CE2-CG1 4.21Å; I1095-V1098 HydrophobicContact CB-CB 4.49Å; I1095-V1098 HydrophobicContact CB-CG2 3.94Å; I1095-V1098 HydrophobicContact CD1-CG2 4.45Å; I1095-V1098 HydrophobicContact CG2-CG2 3.84Å; Y1096-V1098 PolarHBondContact O-N 3.34Å; V1098-W1100 PolarHBondContact O-N 3Å
1099N78Confident84.9Confident150 Ų15033.1 Ų33.180%0.80220%0.203SC*.  trans-86.1105.8173.4-72.3-32.9000110.2
1100W85.1Confident85.1Confident19 Ų1937.1 Ų37.17%0.07222%0.221CC..  trans-65.9133.3-179.8-64.193.3000112.5I844 Y1059 Y1089 N1092 L1093 V1098 S1102I844-W1100 HydrophobicContact CD1-CB 4.45Å; Y1059-W1100 HydrophobicContact CD1-CB 4.2Å; Y1059-W1100 AromaticContact CD1-CD1 3.88Å; Y1059-W1100 AromaticContact CD1-CD2 3.52Å; Y1059-W1100 HydrophobicContact CD1-CD2 3.52Å; Y1059-W1100 AromaticContact CD1-CE2 3.83Å; Y1059-W1100 AromaticContact CD1-CE3 3.98Å; Y1059-W1100 HydrophobicContact CD1-CE3 3.98Å; Y1059-W1100 AromaticContact CD1-CG 3.6Å; Y1059-W1100 HydrophobicContact CD1-CG 3.6Å; Y1059-W1100 AromaticContact CD1-NE1 4Å; Y1059-W1100 HydrophobicContact CD2-CB 3.49Å; Y1059-W1100 VanDerWaalsContact CD2-CB 3.49Å; Y1059-W1100 HydrophobicContact CD2-CD2 4.42Å; Y1059-W1100 AromaticContact CD2-CG 3.81Å; Y1059-W1100 HydrophobicContact CD2-CG 3.81Å; Y1059-W1100 HydrophobicContact CE1-CB 4.45Å; Y1059-W1100 AromaticContact CE1-CD2 3.61Å; Y1059-W1100 HydrophobicContact CE1-CD2 3.61Å; Y1059-W1100 AromaticContact CE1-CE3 3.54Å; Y1059-W1100 HydrophobicContact CE1-CE3 3.54Å; Y1059-W1100 HydrophobicContact CE1-CG 4.01Å; Y1059-W1100 HydrophobicContact CE1-CZ3 4.07Å; Y1059-W1100 HydrophobicContact CE2-CB 3.75Å; Y1059-W1100 HydrophobicContact CE2-CD2 4.46Å; Y1059-W1100 HydrophobicContact CE2-CG 4.17Å; Y1059-W1100 HydrophobicContact CG-CB 3.75Å; Y1059-W1100 AromaticContact CG-CD1 3.73Å; Y1059-W1100 AromaticContact CG-CD2 3.99Å; Y1059-W1100 HydrophobicContact CG-CD2 3.99Å; Y1059-W1100 AromaticContact CG-CG 3.51Å; Y1059-W1100 HydrophobicContact CG-CG 3.51Å; Y1059-W1100 AromaticContact CZ-CE3 3.84Å; Y1089-W1100 HydrophobicContact CD2-CH2 4.44Å; Y1089-W1100 HydrophobicContact CD2-CZ3 4.26Å; Y1089-W1100 HydrophobicContact CE2-CE3 4.32Å; Y1089-W1100 AromaticContact CE2-CZ3 4Å; Y1089-W1100 HydrophobicContact CE2-CZ3 4Å; N1092-W1100 VanDerWaalsContact OD1-CZ3 3.26Å; N1092-W1100 WeakPolarHBondContact OD1-CZ3 3.41Å; L1093-W1100 WeakPolarHBondContact O-CH2 3.06Å; L1093-W1100 VanDerWaalsContact O-CZ2 3.25Å; L1093-W1100 WeakPolarHBondContact O-CZ2 3.36Å; V1098-W1100 PolarHBondContact O-N 3Å; W1100-S1102 PolarHBondContact O-N 2.99Å
1101P85.8Confident85.5Confident31 Ų3137.4 Ų37.420%0.20122%0.223CC..  trans-70.8124.6-177.727.5-34.4000111.6A1103 Y1104P1101-A1103 PolarHBondContact O-N 3.29Å; P1101-Y1104 HydrophobicContact CG-CD1 4.38Å; P1101-Y1104 HydrophobicContact CG-CD2 3.68Å; P1101-Y1104 HydrophobicContact CG-CE1 4.15Å; P1101-Y1104 HydrophobicContact CG-CE2 3.42Å; P1101-Y1104 VanDerWaalsContact CG-CE2 3.42Å; P1101-Y1104 HydrophobicContact CG-CG 4.16Å; P1101-Y1104 PolarHBondContact O-N 3.28Å
1102S88.1Confident85.8Confident36 Ų3633.4 Ų33.425%0.25220%0.202SC..Hα-helixtrans-62-20.5-176.767.30000113.9A841 N842 W1100 Y1104 L1105 I1106A841-S1102 WeakPolarHBondContact O-CB 3.42Å; N842-S1102 PolarHBondContact OD1-OG 2.73Å; N842-S1102 VanDerWaalsContact OD1-OG 3.08Å; W1100-S1102 PolarHBondContact O-N 2.99Å; S1102-Y1104 VanDerWaalsContact C-N 3.26Å; S1102-Y1104 PolarHBondContact O-N 2.88Å; S1102-L1105 PolarHBondContact O-N 3.15Å; S1102-I1106 VanDerWaalsContact O-CG1 3.28Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.21Å; S1102-I1106 PolarHBondContact O-N 3.13Å; S1102-I1106 VanDerWaalsContact O-N 3.1Å
1103A87.3Confident86Confident52 Ų5233.7 Ų33.743%0.4320%0.203SC..Hα-helixtrans-56.5-34.9176.100000113.6P1101 I1106 G1107P1101-A1103 PolarHBondContact O-N 3.29Å; A1103-I1106 PolarHBondContact O-N 3.26Å; A1103-G1107 PolarHBondContact O-N 3.4Å
1104Y89.9Confident86.3Confident17 Ų1733.7 Ų33.77%0.06720%0.203CC..Hα-helixtrans-68.4-50.1-179.5-60.3-13.3000110.9N1013 R1014 P1101 S1102 I1106 G1107 D1108N1013-Y1104 VanDerWaalsContact O-CE1 3.27Å; N1013-Y1104 WeakPolarHBondContact O-CE1 3.41Å; R1014-Y1104 HydrophobicContact CG-CD1 4.17Å; R1014-Y1104 HydrophobicContact CG-CG 4.47Å; P1101-Y1104 HydrophobicContact CG-CD1 4.38Å; P1101-Y1104 HydrophobicContact CG-CD2 3.68Å; P1101-Y1104 HydrophobicContact CG-CE1 4.15Å; P1101-Y1104 HydrophobicContact CG-CE2 3.42Å; P1101-Y1104 VanDerWaalsContact CG-CE2 3.42Å; P1101-Y1104 HydrophobicContact CG-CG 4.16Å; P1101-Y1104 PolarHBondContact O-N 3.28Å; S1102-Y1104 VanDerWaalsContact C-N 3.26Å; S1102-Y1104 PolarHBondContact O-N 2.88Å; Y1104-I1106 VanDerWaalsContact C-N 3.25Å; Y1104-I1106 PolarHBondContact O-N 2.92Å; Y1104-G1107 PolarHBondContact O-N 2.9Å; Y1104-G1107 VanDerWaalsContact O-N 3.11Å; Y1104-D1108 PolarHBondContact O-N 3.23Å
1105L89.9Confident86.7Confident1 Ų133.3 Ų33.31%0.00520%0.201CC..Hα-helixtrans-59.1-36.3174.9-73170.4000112.4A841 I844 Y1052 Q1055 F1056 Y1059 S1102 F1109A841-L1105 HydrophobicContact CB-CB 4.31Å; I844-L1105 HydrophobicContact CD1-CD1 4.46Å; Y1052-L1105 HydrophobicContact CD2-CD2 4.3Å; Y1052-L1105 HydrophobicContact CE2-CB 4.35Å; Y1052-L1105 HydrophobicContact CE2-CD2 4.19Å; Y1052-L1105 WeakPolarHBondContact CE2-O 3.45Å; Q1055-L1105 HydrophobicContact CB-CD2 4.31Å; Q1055-L1105 HydrophobicContact CG-CD2 3.9Å; F1056-L1105 HydrophobicContact CD2-CD1 3.97Å; Y1059-L1105 HydrophobicContact CD2-CD1 3.82Å; Y1059-L1105 HydrophobicContact CD2-CD2 4.41Å; Y1059-L1105 HydrophobicContact CD2-CG 4.05Å; Y1059-L1105 HydrophobicContact CE2-CD1 4.07Å; Y1059-L1105 HydrophobicContact CE2-CD2 4.23Å; Y1059-L1105 HydrophobicContact CE2-CG 3.81Å; S1102-L1105 PolarHBondContact O-N 3.15Å; L1105-F1109 VanDerWaalsContact O-CB 3.26Å; L1105-F1109 WeakPolarHBondContact O-CB 3.35Å; L1105-F1109 PolarHBondContact O-N 3.37Å
1106I90.4Very high87.2Confident42 Ų4232.8 Ų32.822%0.21520%0.2CC..Hα-helixtrans-68.5-41.3176.9-66.6169000110.9A841 S1102 A1103 Y1104 F1109 F1110A841-I1106 HydrophobicContact CB-CD1 4.29Å; A841-I1106 HydrophobicContact CB-CG1 3.92Å; S1102-I1106 VanDerWaalsContact O-CG1 3.28Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.21Å; S1102-I1106 PolarHBondContact O-N 3.13Å; S1102-I1106 VanDerWaalsContact O-N 3.1Å; A1103-I1106 PolarHBondContact O-N 3.26Å; Y1104-I1106 VanDerWaalsContact C-N 3.25Å; Y1104-I1106 PolarHBondContact O-N 2.92Å; I1106-F1109 PolarHBondContact O-N 3.37Å; I1106-F1110 HydrophobicContact CG2-CD2 3.74Å; I1106-F1110 HydrophobicContact CG2-CE2 3.63Å; I1106-F1110 WeakPolarHBondContact O-CD2 3.33Å; I1106-F1110 PolarHBondContact O-N 2.86Å
1107G89.5Confident87.6Confident15 Ų1532.5 Ų32.516%0.15520%0.203CC..Hα-helixtrans-58.4-54.617300000111.9A1103 Y1104 F1109 F1110 V1111A1103-G1107 PolarHBondContact O-N 3.4Å; Y1104-G1107 PolarHBondContact O-N 2.9Å; Y1104-G1107 VanDerWaalsContact O-N 3.11Å; G1107-F1109 VanDerWaalsContact C-N 3.3Å; G1107-F1109 PolarHBondContact O-N 3.08Å; G1107-F1110 PolarHBondContact O-N 3.39Å; G1107-F1110 VanDerWaalsContact O-N 3.08Å; G1107-V1111 WeakPolarHBondContact O-CG2 3.17Å; G1107-V1111 PolarHBondContact O-N 3.14Å
1108D90.6Very high88.6Confident0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-57.7-40177.5-74.1-55.3000112.1R1014 M1048 Y1052 Q1055 Y1104 V1111 L1112R1014-D1108 IonicContact CZ-OD2 2.68Å; R1014-D1108 IonicContact NH1-OD1 2.87Å; R1014-D1108 PolarHBondContact NH1-OD1 3.2Å; R1014-D1108 IonicContact NH1-OD2 2.76Å; R1014-D1108 PolarHBondContact NH1-OD2 3.12Å; M1048-D1108 HydrophobicContact CE-CB 4.05Å; M1048-D1108 WeakPolarHBondContact CE-OD1 3.3Å; Y1052-D1108 HydrophobicContact CD2-CB 4.4Å; Q1055-D1108 VanDerWaalsContact CD-OD2 3.31Å; Q1055-D1108 PolarHBondContact NE2-OD2 3.22Å; Q1055-D1108 PolarHBondContact OE1-OD2 2.98Å; Y1104-D1108 PolarHBondContact O-N 3.23Å; D1108-V1111 PolarHBondContact O-N 3.39Å; D1108-L1112 WeakPolarHBondContact O-CB 3.47Å; D1108-L1112 PolarHBondContact O-N 3.09Å
1109F91.6Very high89.3Confident4 Ų428.9 Ų28.92%0.01817%0.166CC..Hα-helixtrans-63.5-43.7173.8177.8-93.3000112.9F833 V834 A837 L855 I859 Y1052 L1105 I1106 G1107 L1112 L1113F833-F1109 HydrophobicContact CB-CZ 4.4Å; V834-F1109 HydrophobicContact CG2-CE1 3.99Å; A837-F1109 HydrophobicContact CB-CD1 3.93Å; A837-F1109 HydrophobicContact CB-CD2 3.81Å; A837-F1109 HydrophobicContact CB-CE1 3.8Å; A837-F1109 HydrophobicContact CB-CE2 3.66Å; A837-F1109 HydrophobicContact CB-CG 3.94Å; A837-F1109 HydrophobicContact CB-CZ 3.67Å; L855-F1109 HydrophobicContact CD1-CE2 4.44Å; L855-F1109 HydrophobicContact CD2-CD2 4.49Å; L855-F1109 HydrophobicContact CD2-CE2 3.91Å; L855-F1109 HydrophobicContact CG-CE2 4.18Å; I859-F1109 HydrophobicContact CD1-CD2 4.31Å; I859-F1109 HydrophobicContact CD1-CE2 3.37Å; I859-F1109 HydrophobicContact CD1-CZ 3.76Å; Y1052-F1109 HydrophobicContact CD2-CB 4.38Å; Y1052-F1109 HydrophobicContact CE1-CD2 4.4Å; Y1052-F1109 HydrophobicContact CE2-CB 3.84Å; Y1052-F1109 HydrophobicContact CE2-CD2 4.4Å; L1105-F1109 VanDerWaalsContact O-CB 3.26Å; L1105-F1109 WeakPolarHBondContact O-CB 3.35Å; L1105-F1109 PolarHBondContact O-N 3.37Å; I1106-F1109 PolarHBondContact O-N 3.37Å; G1107-F1109 VanDerWaalsContact C-N 3.3Å; G1107-F1109 PolarHBondContact O-N 3.08Å; F1109-L1112 PolarHBondContact O-N 2.88Å; F1109-L1113 HydrophobicContact CE1-CD2 4.27Å; F1109-L1113 WeakPolarHBondContact O-CB 3.44Å; F1109-L1113 PolarHBondContact O-N 3.47Å
1110F92Very high89.7Confident90 Ų9024 Ų2440%0.39515%0.146SC..Hα-helixtrans-66.7-39.7176.8-85.5-64.8000111.8V834 I1106 G1107 L1113 L1114V834-F1110 HydrophobicContact CG2-CE1 4.49Å; I1106-F1110 HydrophobicContact CG2-CD2 3.74Å; I1106-F1110 HydrophobicContact CG2-CE2 3.63Å; I1106-F1110 WeakPolarHBondContact O-CD2 3.33Å; I1106-F1110 PolarHBondContact O-N 2.86Å; G1107-F1110 PolarHBondContact O-N 3.39Å; G1107-F1110 VanDerWaalsContact O-N 3.08Å; F1110-L1113 PolarHBondContact O-N 3.17Å; F1110-L1114 WeakPolarHBondContact O-CB 3.4Å; F1110-L1114 VanDerWaalsContact O-CG 3.28Å; F1110-L1114 WeakPolarHBondContact O-CG 3.48Å; F1110-L1114 PolarHBondContact O-N 3.38Å
1111V93Very high89.8Confident9 Ų923.8 Ų23.86%0.05515%0.147CC..Hα-helixtrans-61-45.2173.5172.90000110.4I1007 D1010 Y1044 M1048 G1107 D1108 L1114 A1115I1007-V1111 HydrophobicContact CG1-CG1 4.5Å; D1010-V1111 HydrophobicContact CB-CG2 4.25Å; Y1044-V1111 HydrophobicContact CE1-CG1 4.07Å; Y1044-V1111 VanDerWaalsContact OH-CG1 3.29Å; Y1044-V1111 WeakPolarHBondContact OH-CG1 3.23Å; M1048-V1111 HydrophobicContact CE-CB 4.09Å; M1048-V1111 HydrophobicContact CE-CG1 3.87Å; M1048-V1111 HydrophobicContact CG-CG1 4.31Å; M1048-V1111 HydrophobicContact SD-CG1 4.24Å; G1107-V1111 WeakPolarHBondContact O-CG2 3.17Å; G1107-V1111 PolarHBondContact O-N 3.14Å; D1108-V1111 PolarHBondContact O-N 3.39Å; V1111-L1114 PolarHBondContact O-N 2.84Å; V1111-A1115 WeakPolarHBondContact O-CB 3.28Å; V1111-A1115 PolarHBondContact O-N 3Å
1112L92.6Very high89.9Confident0 Ų023.1 Ų23.10%014%0.141CC..Hα-helixtrans-61.3-43.9174.617758.7000112.8M1048 A1049 D1108 F1109 S1116M1048-L1112 HydrophobicContact CB-CB 4.28Å; M1048-L1112 HydrophobicContact CB-CD1 3.93Å; A1049-L1112 HydrophobicContact CB-CD1 4.02Å; D1108-L1112 WeakPolarHBondContact O-CB 3.47Å; D1108-L1112 PolarHBondContact O-N 3.09Å; F1109-L1112 PolarHBondContact O-N 2.88Å; L1112-S1116 VanDerWaalsContact O-CB 3.31Å; L1112-S1116 WeakPolarHBondContact O-CB 3.09Å; L1112-S1116 PolarHBondContact O-N 3.02Å; L1112-S1116 PolarHBondContact O-OG 3.05Å
1113L90.5Very high89.8Confident23 Ų2330.8 Ų30.812%0.1216%0.164CC..Hα-helixtrans-65.6-40.7178.7-178.863.8000112.3V834 F1109 F1110 S1116 C1117V834-L1113 HydrophobicContact CG2-CD2 4.36Å; F1109-L1113 HydrophobicContact CE1-CD2 4.27Å; F1109-L1113 WeakPolarHBondContact O-CB 3.44Å; F1109-L1113 PolarHBondContact O-N 3.47Å; F1110-L1113 PolarHBondContact O-N 3.17Å; L1113-S1116 WeakPolarHBondContact CA-OG 3.45Å; L1113-S1116 PolarHBondContact O-OG 2.83Å; L1113-C1117 WeakPolarHBondContact O-CB 3.49Å; L1113-C1117 PolarHBondContact O-N 2.86Å; L1113-C1117 VanDerWaalsContact O-N 3.13Å; L1113-C1117 PolarHBondContact O-SG 3.01Å
1114L91.8Very high89.6Confident45 Ų4537.7 Ų37.724%0.23618%0.179CC..Hα-helixtrans-74.6-39.7177.4-65.9176000111.5F995 T1003 A1006 F1110 V1111 C1117 Q1118F995-L1114 HydrophobicContact CE2-CD2 3.96Å; F995-L1114 HydrophobicContact CZ-CD2 4.42Å; T1003-L1114 HydrophobicContact CG2-CB 3.76Å; A1006-L1114 HydrophobicContact CB-CD1 3.95Å; F1110-L1114 WeakPolarHBondContact O-CB 3.4Å; F1110-L1114 VanDerWaalsContact O-CG 3.28Å; F1110-L1114 WeakPolarHBondContact O-CG 3.48Å; F1110-L1114 PolarHBondContact O-N 3.38Å; V1111-L1114 PolarHBondContact O-N 2.84Å; L1114-C1117 PolarHBondContact O-N 2.82Å; L1114-Q1118 WeakPolarHBondContact O-CB 2.94Å; L1114-Q1118 PolarHBondContact O-N 3.08Å
1115A91.4Very high89Confident1 Ų138 Ų381%0.00818%0.181CC..Hα-helixtrans-66.9-38.4178.100000112.4W1041 Y1044 V1045 V1111 Q1118 L1119W1041-A1115 HydrophobicContact CZ2-CB 4.02Å; W1041-A1115 PolarHBondContact NE1-O 2.9Å; Y1044-A1115 HydrophobicContact CD1-CB 4.18Å; Y1044-A1115 HydrophobicContact CE1-CB 4.17Å; V1045-A1115 HydrophobicContact CG2-CB 3.92Å; V1045-A1115 WeakPolarHBondContact CG2-O 3.4Å; V1111-A1115 WeakPolarHBondContact O-CB 3.28Å; V1111-A1115 PolarHBondContact O-N 3Å; A1115-Q1118 PolarHBondContact O-N 3.23Å; A1115-L1119 WeakPolarHBondContact O-CB 3.28Å; A1115-L1119 PolarHBondContact O-N 3.23Å
1116S89.8Confident88.2Confident22 Ų2240.1 Ų40.115%0.15420%0.204CC..Hα-helixtrans-67.6-39.6172.255.90000112.5L1112 L1113 L1119 A1120L1112-S1116 VanDerWaalsContact O-CB 3.31Å; L1112-S1116 WeakPolarHBondContact O-CB 3.09Å; L1112-S1116 PolarHBondContact O-N 3.02Å; L1112-S1116 PolarHBondContact O-OG 3.05Å; L1113-S1116 WeakPolarHBondContact CA-OG 3.45Å; L1113-S1116 PolarHBondContact O-OG 2.83Å; S1116-L1119 PolarHBondContact O-N 2.79Å; S1116-A1120 PolarHBondContact O-N 2.84Å; S1116-A1120 VanDerWaalsContact O-N 3.07Å
1117C88.4Confident87.1Confident28 Ų2846.4 Ų46.419%0.18923%0.232CC..Hα-helixtrans-61.8-41.8170.2-72.50000111.9F995 L1113 L1114 A1120 V1121F995-C1117 HydrophobicContact CD1-CB 4.43Å; F995-C1117 HydrophobicContact CE1-CB 3.59Å; F995-C1117 HydrophobicContact CZ-CB 3.88Å; L1113-C1117 WeakPolarHBondContact O-CB 3.49Å; L1113-C1117 PolarHBondContact O-N 2.86Å; L1113-C1117 VanDerWaalsContact O-N 3.13Å; L1113-C1117 PolarHBondContact O-SG 3.01Å; L1114-C1117 PolarHBondContact O-N 2.82Å; C1117-A1120 WeakPolarHBondContact O-CB 3.23Å; C1117-A1120 PolarHBondContact O-N 3.45Å; C1117-V1121 PolarHBondContact O-N 3.32Å
1118Q90.9Very high86.1Confident1 Ų150.8 Ų50.81%0.00525%0.252CS..Hα-helixtrans-68.7-33.1178.3-179.256.124.800111.9F995 T1003 W1041 L1114 A1115 A1120 V1121 F1122F995-Q1118 HydrophobicContact CE1-CB 4.34Å; F995-Q1118 HydrophobicContact CZ-CB 4.26Å; T1003-Q1118 HydrophobicContact CG2-CB 4.32Å; W1041-Q1118 HydrophobicContact CZ2-CB 4.02Å; W1041-Q1118 HydrophobicContact CZ2-CG 3.84Å; L1114-Q1118 WeakPolarHBondContact O-CB 2.94Å; L1114-Q1118 PolarHBondContact O-N 3.08Å; A1115-Q1118 PolarHBondContact O-N 3.23Å; Q1118-A1120 VanDerWaalsContact C-N 3.34Å; Q1118-V1121 WeakPolarHBondContact O-CB 3.29Å; Q1118-V1121 PolarHBondContact O-N 2.86Å; Q1118-F1122 HydrophobicContact CG-CD2 3.98Å; Q1118-F1122 HydrophobicContact CG-CE2 3.66Å; Q1118-F1122 HydrophobicContact CG-CZ 4.2Å; Q1118-F1122 VanDerWaalsContact NE2-CE1 3.29Å; Q1118-F1122 WeakPolarHBondContact O-CD2 3.44Å; Q1118-F1122 PolarHBondContact O-N 3.18Å
1119L89.7Confident85.2Confident21 Ų2151.1 Ų51.111%0.1125%0.254CS..Hα-helixtrans-63.6-38.4169.8179.259.6000111.8V1042 V1045 A1115 S1116 V1121 F1122 R1123V1042-L1119 HydrophobicContact CG2-CD1 3.94Å; V1045-L1119 HydrophobicContact CB-CD2 4.25Å; V1045-L1119 HydrophobicContact CG1-CD2 4.08Å; V1045-L1119 HydrophobicContact CG2-CB 4.19Å; V1045-L1119 HydrophobicContact CG2-CD2 4.15Å; A1115-L1119 WeakPolarHBondContact O-CB 3.28Å; A1115-L1119 PolarHBondContact O-N 3.23Å; S1116-L1119 PolarHBondContact O-N 2.79Å; L1119-V1121 VanDerWaalsContact C-N 3.29Å; L1119-V1121 PolarHBondContact O-N 3.07Å; L1119-F1122 PolarHBondContact O-N 3.02Å; L1119-R1123 HydrophobicContact CD1-CG 4.5Å; L1119-R1123 WeakPolarHBondContact O-CG 3.34Å; L1119-R1123 PolarHBondContact O-N 3.44Å
1120A85.3Confident84Confident47 Ų4755.7 Ų55.739%0.38828%0.279SS..Hα-helixtrans-67.5-27.4173.200000113.1S1116 C1117 Q1118 R1124S1116-A1120 PolarHBondContact O-N 2.84Å; S1116-A1120 VanDerWaalsContact O-N 3.07Å; C1117-A1120 WeakPolarHBondContact O-CB 3.23Å; C1117-A1120 PolarHBondContact O-N 3.45Å; Q1118-A1120 VanDerWaalsContact C-N 3.34Å; A1120-R1124 WeakPolarHBondContact O-CG 3.27Å
1121V87.3Confident83Confident14 Ų1452.7 Ų52.79%0.08527%0.269CS..Hα-helixtrans-72.1-50.9169.6171.80000110.8F995 Y996 C1117 Q1118 L1119 R1123 R1124 E1125F995-V1121 HydrophobicContact CD1-CG2 3.99Å; F995-V1121 HydrophobicContact CE1-CG2 4.16Å; Y996-V1121 HydrophobicContact CD2-CG1 3.8Å; Y996-V1121 HydrophobicContact CE2-CG1 4.26Å; C1117-V1121 PolarHBondContact O-N 3.32Å; Q1118-V1121 WeakPolarHBondContact O-CB 3.29Å; Q1118-V1121 PolarHBondContact O-N 2.86Å; L1119-V1121 VanDerWaalsContact C-N 3.29Å; L1119-V1121 PolarHBondContact O-N 3.07Å; V1121-R1123 PolarHBondContact O-N 3.25Å; V1121-R1124 WeakPolarHBondContact O-CA 3.34Å; V1121-R1124 PolarHBondContact O-N 2.91Å; V1121-E1125 PolarHBondContact O-N 2.94Å
1122F88.2Confident82Confident17 Ų1753.1 Ų53.18%0.07527%0.271CS..Hα-helixtrans-59.5-28.3179.1-75.9-43000113.6R1038 W1041 Q1118 L1119 R1124 E1125R1038-F1122 HydrophobicContact CB-CD1 4.17Å; R1038-F1122 HydrophobicContact CB-CE1 4.12Å; R1038-F1122 HydrophobicContact CB-CZ 4.45Å; R1038-F1122 HydrophobicContact CG-CB 4.18Å; R1038-F1122 HydrophobicContact CG-CD1 3.8Å; R1038-F1122 HydrophobicContact CG-CE1 4.27Å; R1038-F1122 HydrophobicContact CG-CG 3.98Å; W1041-F1122 HydrophobicContact CB-CD2 4.05Å; W1041-F1122 HydrophobicContact CB-CE2 3.91Å; W1041-F1122 AromaticContact CD1-CD2 3.84Å; W1041-F1122 AromaticContact CD1-CE2 3.96Å; W1041-F1122 HydrophobicContact CD2-CD2 4.4Å; W1041-F1122 AromaticContact CD2-CE2 3.74Å; W1041-F1122 HydrophobicContact CD2-CE2 3.74Å; W1041-F1122 HydrophobicContact CE3-CE2 4.22Å; W1041-F1122 AromaticContact CG-CD2 3.81Å; W1041-F1122 HydrophobicContact CG-CD2 3.81Å; W1041-F1122 AromaticContact CG-CE2 3.58Å; W1041-F1122 HydrophobicContact CG-CE2 3.58Å; Q1118-F1122 HydrophobicContact CG-CD2 3.98Å; Q1118-F1122 HydrophobicContact CG-CE2 3.66Å; Q1118-F1122 HydrophobicContact CG-CZ 4.2Å; Q1118-F1122 VanDerWaalsContact NE2-CE1 3.29Å; Q1118-F1122 WeakPolarHBondContact O-CD2 3.44Å; Q1118-F1122 PolarHBondContact O-N 3.18Å; L1119-F1122 PolarHBondContact O-N 3.02Å; F1122-R1124 VanDerWaalsContact C-N 3.32Å; F1122-E1125 WeakPolarHBondContact CD1-OE2 3.34Å
1123R85.3Confident80.9Confident197 Ų19755.4 Ų55.474%0.74328%0.28SS*.THydrogen-bonded Turntrans-76.2-12.1172.6-72.8177.5-179.2173.92.3114.6L1119 V1121L1119-R1123 HydrophobicContact CD1-CG 4.5Å; L1119-R1123 WeakPolarHBondContact O-CG 3.34Å; L1119-R1123 PolarHBondContact O-N 3.44Å; V1121-R1123 PolarHBondContact O-N 3.25Å
1124R83.1Confident79.6Confident197 Ų19758.2 Ų58.274%0.74330%0.295SS*.THydrogen-bonded Turntrans-112.4-9.6-179.8-69.7178.4177.6175.61.2113.7A1120 V1121 F1122A1120-R1124 WeakPolarHBondContact O-CG 3.27Å; V1121-R1124 WeakPolarHBondContact O-CA 3.34Å; V1121-R1124 PolarHBondContact O-N 2.91Å; F1122-R1124 VanDerWaalsContact C-N 3.32Å
1125E78.9Confident78.2Confident23 Ų2363.3 Ų63.311%0.10732%0.323CS..  trans-77.9122-172.9178.2177.2-129.300112.6R1034 V1121 F1122 N1129R1034-E1125 IonicContact CZ-OE1 2.8Å; R1034-E1125 VanDerWaalsContact CZ-OE1 3.3Å; R1034-E1125 IonicContact NE-OE1 3.42Å; R1034-E1125 PolarHBondContact NE-OE1 2.97Å; R1034-E1125 VanDerWaalsContact NE-OE1 3.14Å; R1034-E1125 IonicContact NH2-OE1 3.55Å; R1034-E1125 PolarHBondContact NH2-OE1 3.02Å; V1121-E1125 PolarHBondContact O-N 2.94Å; F1122-E1125 WeakPolarHBondContact CD1-OE2 3.34Å; E1125-N1129 VanDerWaalsContact OE1-CB 3.29Å; E1125-N1129 WeakPolarHBondContact OE1-CB 3.3Å; E1125-N1129 PolarHBondContact OE1-ND2 3.03Å
1126G71.2Confident76.8Confident47 Ų4764.1 Ų64.149%0.48533%0.331SS..  trans-98.3-143.4166.700000112.6D1128G1126-D1128 VanDerWaalsContact C-N 3.29Å; G1126-D1128 PolarHBondContact O-N 3.26Å
1127E69.1Low75.6Confident173 Ų17368.7 Ų68.781%0.80835%0.354SS*.SBendtrans-76.2-9.9-178.7-61.6-179.216700114.2N1129 D1130E1127-N1129 PolarHBondContact O-N 3.39Å; E1127-D1130 PolarHBondContact O-N 3.31Å
1128D67.2Low74.7Confident108 Ų10869 Ų6958%0.57835%0.352SS*.THydrogen-bonded Turntrans-55.5-11.2-172.9-72.5-12.2000117K997 G1126K997-D1128 PolarHBondContact NZ-O 3.13Å; G1126-D1128 VanDerWaalsContact C-N 3.29Å; G1126-D1128 PolarHBondContact O-N 3.26Å
1129N71.5Confident73.6Confident7 Ų773.3 Ų73.34%0.03738%0.378CS..THydrogen-bonded Turntrans-117.22.5-168.1-82-20.3000115.2K997 R1034 E1125 E1127K997-N1129 WeakPolarHBondContact CD-OD1 3.43Å; K997-N1129 WeakPolarHBondContact CE-OD1 3.3Å; K997-N1129 PolarHBondContact NZ-OD1 3Å; R1034-N1129 PolarHBondContact NH2-ND2 3.38Å; E1125-N1129 VanDerWaalsContact OE1-CB 3.29Å; E1125-N1129 WeakPolarHBondContact OE1-CB 3.3Å; E1125-N1129 PolarHBondContact OE1-ND2 3.03Å; E1127-N1129 PolarHBondContact O-N 3.39Å
1130D66.5Low72.7Confident100 Ų10073.4 Ų73.454%0.53538%0.379SS..  trans-70164.4178.2-74.6-9.8000113.2E1127E1127-D1130 PolarHBondContact O-N 3.31Å
1131S72Confident72.1Confident27 Ų2776.3 Ų76.319%0.18938%0.382CS..  trans-122.1172.3-169.883.20000112.7Y1133 N1134S1131-Y1133 PolarHBondContact O-N 3.42Å; S1131-Y1133 PolarHBondContact OG-N 3.16Å; S1131-N1134 PolarHBondContact O-OD1 2.83Å
1132I70.6Confident71.4Confident18 Ų1879.6 Ų79.69%0.09240%0.404CS..SBendtrans-60.7-29.6173.2-64.6164.3000111.8N1134 F1138 W1318I1132-N1134 VanDerWaalsContact C-N 3.29Å; I1132-N1134 PolarHBondContact O-N 2.95Å; I1132-N1134 VanDerWaalsContact O-N 3.09Å; I1132-F1138 HydrophobicContact CB-CE2 4.47Å; I1132-F1138 HydrophobicContact CG2-CD2 4.15Å; I1132-F1138 HydrophobicContact CG2-CE2 3.99Å; I1132-F1138 HydrophobicContact CG2-CZ 4.49Å; I1132-W1318 HydrophobicContact CD1-CB 4.28Å; I1132-W1318 HydrophobicContact CD1-CD2 3.75Å; I1132-W1318 HydrophobicContact CD1-CE3 3.76Å; I1132-W1318 HydrophobicContact CD1-CG 3.99Å; I1132-W1318 HydrophobicContact CD1-CZ3 4.32Å; I1132-W1318 HydrophobicContact CG1-CD2 3.46Å; I1132-W1318 VanDerWaalsContact CG1-CD2 3.46Å; I1132-W1318 HydrophobicContact CG1-CE3 3.63Å; I1132-W1318 HydrophobicContact CG1-CG 4.02Å; I1132-W1318 HydrophobicContact CG1-CH2 3.91Å; I1132-W1318 HydrophobicContact CG1-CZ2 3.77Å; I1132-W1318 HydrophobicContact CG1-CZ3 3.85Å
1133Y70.7Confident70.8Confident47 Ų4786.9 Ų86.918%0.18444%0.438CS..  trans-89.859-173.2-162.5-106.2000111.9S1131 G1136 F1138 F1215 L1219 H1316S1131-Y1133 PolarHBondContact O-N 3.42Å; S1131-Y1133 PolarHBondContact OG-N 3.16Å; Y1133-G1136 VanDerWaalsContact CE2-O 3.31Å; Y1133-G1136 WeakPolarHBondContact CE2-O 3.43Å; Y1133-G1136 VanDerWaalsContact CZ-O 3.31Å; Y1133-G1136 PolarHBondContact OH-O 3Å; Y1133-F1138 HydrophobicContact CD2-CB 3.89Å; Y1133-F1138 HydrophobicContact CD2-CD2 4.05Å; Y1133-F1138 HydrophobicContact CD2-CG 4.49Å; Y1133-F1138 HydrophobicContact CE2-CB 4.09Å; Y1133-F1215 HydrophobicContact CE2-CD1 4.39Å; Y1133-L1219 HydrophobicContact CE1-CD2 4.24Å; Y1133-H1316 VanDerWaalsContact CB-ND1 3.32Å; Y1133-H1316 WeakPolarHBondContact CB-ND1 3.43Å; Y1133-H1316 AromaticContact CD1-CE1 3.64Å; Y1133-H1316 AromaticContact CG-CE1 3.79Å; Y1133-H1316 AromaticContact CG-ND1 3.99Å
1134N63.7Low70.5Confident82 Ų8278.8 Ų78.844%0.43941%0.409SS..  trans-77.9143.9170.3-79.15000110.3S1131 I1132 G1136 N1137S1131-N1134 PolarHBondContact O-OD1 2.83Å; I1132-N1134 VanDerWaalsContact C-N 3.29Å; I1132-N1134 PolarHBondContact O-N 2.95Å; I1132-N1134 VanDerWaalsContact O-N 3.09Å; N1134-G1136 PolarHBondContact O-N 3.38Å; N1134-N1137 PolarHBondContact O-N 3.13Å
1135D61.2Low70.2Confident153 Ų15373.9 Ų73.982%0.81840%0.403SS*.THydrogen-bonded Turntrans52.213.4177.8-55.9-34.9000117.8
1136G61.7Low70.1Confident18 Ų1875.7 Ų75.719%0.18641%0.412CS..THydrogen-bonded Turntrans92.4-4.8176.800000115.1Y1133 N1134Y1133-G1136 VanDerWaalsContact CE2-O 3.31Å; Y1133-G1136 WeakPolarHBondContact CE2-O 3.43Å; Y1133-G1136 VanDerWaalsContact CZ-O 3.31Å; Y1133-G1136 PolarHBondContact OH-O 3Å; N1134-G1136 PolarHBondContact O-N 3.38Å
1137N65Low70.7Confident118 Ų11876.9 Ų76.963%0.63140%0.402SS*.  trans-100.9118.2179.5-76.1-38.1000111.2N1134 V1139N1134-N1137 PolarHBondContact O-N 3.13Å; N1137-V1139 HydrophobicContact CB-CG2 4.45Å; N1137-V1139 PolarHBondContact O-N 3.28Å
1138F70.2Confident71.2Confident33 Ų3370.1 Ų70.115%0.14537%0.372CS..  trans-84.796.6173.7-167.3-93.2000110.6I1132 Y1133 I1140 M1208 F1215 M1324I1132-F1138 HydrophobicContact CB-CE2 4.47Å; I1132-F1138 HydrophobicContact CG2-CD2 4.15Å; I1132-F1138 HydrophobicContact CG2-CE2 3.99Å; I1132-F1138 HydrophobicContact CG2-CZ 4.49Å; Y1133-F1138 HydrophobicContact CD2-CB 3.89Å; Y1133-F1138 HydrophobicContact CD2-CD2 4.05Å; Y1133-F1138 HydrophobicContact CD2-CG 4.49Å; Y1133-F1138 HydrophobicContact CE2-CB 4.09Å; F1138-I1140 HydrophobicContact CD1-CG1 4.01Å; F1138-I1140 HydrophobicContact CE1-CD1 4.32Å; F1138-I1140 HydrophobicContact CE1-CG1 3.74Å; F1138-M1208 HydrophobicContact CD1-CE 3.78Å; F1138-M1208 HydrophobicContact CE1-CE 4.12Å; F1138-F1215 HydrophobicContact CB-CB 4.09Å; F1138-F1215 HydrophobicContact CB-CD1 3.85Å; F1138-F1215 HydrophobicContact CB-CG 4.23Å; F1138-F1215 HydrophobicContact CD1-CB 4.47Å; F1138-F1215 HydrophobicContact CD1-CD1 4.32Å; F1138-F1215 HydrophobicContact CD1-CG 4.26Å; F1138-F1215 AromaticContact CD2-CD1 3.6Å; F1138-F1215 HydrophobicContact CD2-CD1 3.6Å; F1138-F1215 AromaticContact CD2-CE1 3.57Å; F1138-F1215 HydrophobicContact CD2-CE1 3.57Å; F1138-F1215 HydrophobicContact CD2-CG 4.33Å; F1138-F1215 HydrophobicContact CD2-CZ 4.28Å; F1138-F1215 HydrophobicContact CE2-CD1 4.19Å; F1138-F1215 AromaticContact CE2-CE1 3.77Å; F1138-F1215 HydrophobicContact CE2-CE1 3.77Å; F1138-F1215 HydrophobicContact CE2-CZ 4.04Å; F1138-F1215 HydrophobicContact CG-CB 4.32Å; F1138-F1215 AromaticContact CG-CD1 3.67Å; F1138-F1215 HydrophobicContact CG-CD1 3.67Å; F1138-F1215 HydrophobicContact CG-CE1 4.11Å; F1138-F1215 HydrophobicContact CG-CG 4.03Å; F1138-F1215 HydrophobicContact CZ-CE1 4.45Å; F1138-F1215 HydrophobicContact CZ-CZ 4.38Å; F1138-M1324 HydrophobicContact CE1-SD 4.02Å; F1138-M1324 HydrophobicContact CZ-SD 4.16Å
1139V66.8Low72.1Confident92 Ų9265 Ų6556%0.55834%0.344SS*.  trans-95.9110.7179.7-176.90000110.4N1137 K1141N1137-V1139 HydrophobicContact CB-CG2 4.45Å; N1137-V1139 PolarHBondContact O-N 3.28Å; V1139-K1141 PolarHBondContact O-N 3.41Å
1140I70.5Confident72.7Confident24 Ų2465.7 Ų65.712%0.12335%0.347CS..  trans-73.9108.1172.4-59.1-177.6000108.4F1138 M1208 Q1321 T1555F1138-I1140 HydrophobicContact CD1-CG1 4.01Å; F1138-I1140 HydrophobicContact CE1-CD1 4.32Å; F1138-I1140 HydrophobicContact CE1-CG1 3.74Å; I1140-M1208 HydrophobicContact CD1-CE 4.17Å; I1140-M1208 HydrophobicContact CD1-SD 3.74Å; I1140-Q1321 HydrophobicContact CG2-CG 4.02Å; I1140-T1555 HydrophobicContact CD1-CG2 3.88Å
1141K73.7Confident73.2Confident108 Ų10863.7 Ų63.747%0.4734%0.337SS..  trans-76.5131.9173.9-66.6-171.8177.1-1750110V1139 E1143 W1318 Q1321V1139-K1141 PolarHBondContact O-N 3.41Å; K1141-E1143 WeakPolarHBondContact CB-O 3.34Å; K1141-E1143 PolarHBondContact O-N 3.23Å; K1141-W1318 HydrophobicContact CD-CH2 4.32Å; K1141-W1318 HydrophobicContact CD-CZ3 4.25Å; K1141-Q1321 PolarHBondContact O-NE2 2.9Å
1142P72.8Confident73.3Confident82 Ų8265.1 Ų65.153%0.53234%0.344SS..SBendtrans-56.8-38175.2-25.934.9000112.6
1143E75.3Confident73.6Confident171 Ų17168.4 Ų68.480%0.79936%0.358SS*.SBendtrans-102.7113.3173.8-61-172.8158.400110.4K1141K1141-E1143 WeakPolarHBondContact CB-O 3.34Å; K1141-E1143 PolarHBondContact O-N 3.23Å
1144N78.6Confident73.8Confident26 Ų2673.9 Ų73.914%0.13938%0.383CS..  trans-86.5132.3172.1-170.7-10.3000109.1Q1146 W1318 H1322N1144-Q1146 PolarHBondContact O-N 3.38Å; N1144-Q1146 VanDerWaalsContact O-N 3.12Å; N1144-Q1146 PolarHBondContact OD1-N 2.9Å; N1144-W1318 PolarHBondContact ND2-O 3.33Å; N1144-H1322 PolarHBondContact ND2-CD2 3.11Å; N1144-H1322 PolarHBondContact ND2-NE2 3.2Å
1145P76.3Confident74.3Confident94 Ų9471.1 Ų71.161%0.6137%0.37SS*.SBendtrans-62.7-13.1174.224.8-36.4000114.5W1318P1145-W1318 HydrophobicContact CG-CD2 4.21Å; P1145-W1318 HydrophobicContact CG-CE3 3.95Å; P1145-W1318 HydrophobicContact CG-CZ3 4.17Å
1146Q78.4Confident75.1Confident62 Ų6272.3 Ų72.329%0.2936%0.364SS..SBendtrans-103.8147.8172.9-60-61-2200111.3N1144 W1318 Y1319 H1322N1144-Q1146 PolarHBondContact O-N 3.38Å; N1144-Q1146 VanDerWaalsContact O-N 3.12Å; N1144-Q1146 PolarHBondContact OD1-N 2.9Å; Q1146-W1318 HydrophobicContact CG-CB 4.33Å; Q1146-Y1319 HydrophobicContact CB-CE1 3.94Å; Q1146-Y1319 HydrophobicContact CG-CE1 4.02Å; Q1146-H1322 PolarHBondContact O-NE2 3.15Å
1147Y81.8Confident76.2Confident71 Ų7172 Ų7228%0.27836%0.359SS..  trans-77.9154.4-178.867.1-88.2000113.2F1149 D1158Y1147-F1149 HydrophobicContact CE2-CB 4.35Å; Y1147-F1149 PolarHBondContact O-N 3.09Å; Y1147-D1158 PolarHBondContact OH-OD1 3.04Å
1148D80.4Confident77.1Confident32 Ų3266.4 Ų66.417%0.17133%0.329CS..  trans-71.4102.3177.5-163-47.3000111.8I1150 D1151 T1152 H1322D1148-I1150 WeakPolarHBondContact OD1-CA 3.46Å; D1148-I1150 WeakPolarHBondContact OD1-CB 3.38Å; D1148-I1150 PolarHBondContact OD1-N 3.06Å; D1148-D1151 PolarHBondContact OD1-N 3.25Å; D1148-T1152 PolarHBondContact O-N 3.31Å; D1148-T1152 PolarHBondContact O-OG1 2.92Å; D1148-H1322 WeakPolarHBondContact CB-ND1 3.48Å; D1148-H1322 IonicContact OD1-ND1 2.95Å; D1148-H1322 IonicContact OD2-CE1 3.54Å; D1148-H1322 IonicContact OD2-CG 2.71Å; D1148-H1322 IonicContact OD2-ND1 2.87Å; D1148-H1322 PolarHBondContact OD2-ND1 2.88Å
1149F86.8Confident77.6Confident0 Ų070.5 Ų70.50%034%0.344CS..THydrogen-bonded Turntrans-82.1-8.717865.1-87.5000113.7Y1147 K1153 D1158 K1161 F1165 Y1319 H1322Y1147-F1149 HydrophobicContact CE2-CB 4.35Å; Y1147-F1149 PolarHBondContact O-N 3.09Å; F1149-K1153 WeakPolarHBondContact O-CG 3.42Å; F1149-D1158 HydrophobicContact CB-CB 4.15Å; F1149-K1161 HydrophobicContact CB-CD 4.36Å; F1149-K1161 HydrophobicContact CD2-CB 3.76Å; F1149-K1161 HydrophobicContact CE2-CB 4.09Å; F1149-K1161 HydrophobicContact CG-CB 4.17Å; F1149-K1161 HydrophobicContact CG-CD 4.3Å; F1149-F1165 HydrophobicContact CE2-CB 4.42Å; F1149-F1165 HydrophobicContact CZ-CB 4.06Å; F1149-F1165 HydrophobicContact CZ-CD2 4.28Å; F1149-F1165 HydrophobicContact CZ-CG 4.48Å; F1149-Y1319 AromaticContact CD1-CD1 3.88Å; F1149-Y1319 HydrophobicContact CD1-CD1 3.88Å; F1149-Y1319 AromaticContact CE1-CD1 3.74Å; F1149-Y1319 HydrophobicContact CE1-CD1 3.74Å; F1149-Y1319 HydrophobicContact CE1-CG 4.23Å; F1149-Y1319 WeakPolarHBondContact CE1-O 3.49Å; F1149-H1322 HydrophobicContact CE1-CB 4.17Å
1150I83.3Confident78.4Confident21 Ų2172.6 Ų72.611%0.10835%0.346CS..THydrogen-bonded Turntrans-82-49.5179.6-58-179.9000109.1D1148 K1153 H1322 C1323 E1326D1148-I1150 WeakPolarHBondContact OD1-CA 3.46Å; D1148-I1150 WeakPolarHBondContact OD1-CB 3.38Å; D1148-I1150 PolarHBondContact OD1-N 3.06Å; I1150-K1153 WeakPolarHBondContact O-CE 3.42Å; I1150-H1322 HydrophobicContact CD1-CB 3.89Å; I1150-H1322 HydrophobicContact CG1-CB 4.39Å; I1150-C1323 HydrophobicContact CD1-CB 4.43Å; I1150-E1326 HydrophobicContact CD1-CB 4.34Å; I1150-E1326 HydrophobicContact CG2-CG 4.45Å
1151D76.9Confident79.2Confident58 Ų5872 Ų7231%0.3134%0.342SS..THydrogen-bonded Turntrans-85-37.4-179.1-66.1-10.9000112.1D1148 K1545D1148-D1151 PolarHBondContact OD1-N 3.25Å; D1151-K1545 IonicContact OD1-NZ 3.74Å; D1151-K1545 PolarHBondContact OD1-NZ 2.96Å; D1151-K1545 WeakPolarHBondContact OD2-CD 3.42Å; D1151-K1545 WeakPolarHBondContact OD2-CE 3.45Å; D1151-K1545 IonicContact OD2-NZ 2.69Å; D1151-K1545 PolarHBondContact OD2-NZ 3.38Å
1152T73.8Confident79.8Confident57 Ų5767.3 Ų67.335%0.3532%0.323SS..  trans-112.977.6-176.870.20000112.8D1148 K1154D1148-T1152 PolarHBondContact O-N 3.31Å; D1148-T1152 PolarHBondContact O-OG1 2.92Å; T1152-K1154 PolarHBondContact O-N 3.47Å; T1152-K1154 VanDerWaalsContact O-N 3.14Å
1153K77.4Confident80.4Confident88 Ų8868.7 Ų68.738%0.38332%0.321SS..  trans-7795.4178.3-62.5178.6-172.1-177.30111F1149 I1150 D1158 Y1159F1149-K1153 WeakPolarHBondContact O-CG 3.42Å; I1150-K1153 WeakPolarHBondContact O-CE 3.42Å; K1153-D1158 HydrophobicContact CB-CB 4.46Å; K1153-Y1159 HydrophobicContact CB-CD2 4.44Å; K1153-Y1159 HydrophobicContact CB-CE2 3.89Å; K1153-Y1159 HydrophobicContact CD-CD1 4.15Å; K1153-Y1159 HydrophobicContact CD-CE1 3.8Å; K1153-Y1159 HydrophobicContact CD-CE2 4.26Å
1154K74.6Confident80.9Confident162 Ų16261.9 Ų61.970%0.70429%0.292SS*.  trans-93.2-32.5-177.3-65.5173.7-176171.90112.8T1152 D1158T1152-K1154 PolarHBondContact O-N 3.47Å; T1152-K1154 VanDerWaalsContact O-N 3.14Å; K1154-D1158 WeakPolarHBondContact CA-OD2 3.32Å; K1154-D1158 PolarHBondContact N-OD2 3.08Å
1155S74.9Confident81.4Confident24 Ų2462 Ų6217%0.16829%0.291CS..SBendtrans-126.3156.2-172.6179.90000111.6V1157 D1158S1155-V1157 PolarHBondContact O-N 3.33Å; S1155-V1157 PolarHBondContact OG-N 2.59Å; S1155-D1158 PolarHBondContact N-OD2 3.08Å; S1155-D1158 WeakPolarHBondContact O-CB 3.31Å; S1155-D1158 PolarHBondContact O-N 2.67Å
1156Y78.3Confident81.9Confident177 Ų17758.1 Ų58.169%0.69426%0.264SS*.Hα-helixtrans-58.7-26.3166.4-74.7-77.6000112.2D1158 Y1159 F1160Y1156-D1158 PolarHBondContact O-N 3.39Å; Y1156-Y1159 PolarHBondContact O-N 2.8Å; Y1156-F1160 PolarHBondContact O-N 3.04Å
1157V83.8Confident82.3Confident13 Ų1359.7 Ų59.78%0.07927%0.268CS..Hα-helixtrans-62.4-32.4172.3-1780000111.1S1155 F1160 K1161S1155-V1157 PolarHBondContact O-N 3.33Å; S1155-V1157 PolarHBondContact OG-N 2.59Å; V1157-F1160 PolarHBondContact O-N 3.13Å; V1157-K1161 HydrophobicContact CG1-CG 4.48Å; V1157-K1161 WeakPolarHBondContact O-CG 3.44Å; V1157-K1161 PolarHBondContact O-N 2.63Å
1158D84.8Confident82.5Confident0 Ų056.7 Ų56.70%026%0.259CS..Hα-helixtrans-72.4-34.6179-57.5-34.7000112.3Y1147 F1149 K1153 K1154 S1155 Y1156 F1160 K1161 S1162Y1147-D1158 PolarHBondContact OH-OD1 3.04Å; F1149-D1158 HydrophobicContact CB-CB 4.15Å; K1153-D1158 HydrophobicContact CB-CB 4.46Å; K1154-D1158 WeakPolarHBondContact CA-OD2 3.32Å; K1154-D1158 PolarHBondContact N-OD2 3.08Å; S1155-D1158 PolarHBondContact N-OD2 3.08Å; S1155-D1158 WeakPolarHBondContact O-CB 3.31Å; S1155-D1158 PolarHBondContact O-N 2.67Å; Y1156-D1158 PolarHBondContact O-N 3.39Å; D1158-F1160 VanDerWaalsContact C-N 3.34Å; D1158-K1161 PolarHBondContact O-N 3.11Å; D1158-S1162 VanDerWaalsContact O-CB 3.3Å; D1158-S1162 WeakPolarHBondContact O-CB 3.26Å; D1158-S1162 PolarHBondContact O-N 2.72Å
1159Y80.4Confident82.8Confident118 Ų11855.3 Ų55.346%0.46325%0.252SS..Hα-helixtrans-64-41170.1-73.8-92.4000111.2K1153 Y1156 S1162 F1163K1153-Y1159 HydrophobicContact CB-CD2 4.44Å; K1153-Y1159 HydrophobicContact CB-CE2 3.89Å; K1153-Y1159 HydrophobicContact CD-CD1 4.15Å; K1153-Y1159 HydrophobicContact CD-CE1 3.8Å; K1153-Y1159 HydrophobicContact CD-CE2 4.26Å; Y1156-Y1159 PolarHBondContact O-N 2.8Å; Y1159-S1162 WeakPolarHBondContact O-CB 3.39Å; Y1159-S1162 PolarHBondContact O-N 2.83Å; Y1159-F1163 PolarHBondContact O-N 3.48Å
1160F83.8Confident82.8Confident136 Ų13657.8 Ų57.860%0.59626%0.261SS*.Hα-helixtrans-66.6-43.1175.5-173.5-104.7000112.3Y1156 V1157 D1158 S1162 F1163 V1164Y1156-F1160 PolarHBondContact O-N 3.04Å; V1157-F1160 PolarHBondContact O-N 3.13Å; D1158-F1160 VanDerWaalsContact C-N 3.34Å; F1160-S1162 PolarHBondContact O-N 3.4Å; F1160-F1163 WeakPolarHBondContact O-CB 3.48Å; F1160-F1163 PolarHBondContact O-N 2.93Å; F1160-F1163 VanDerWaalsContact O-N 3.17Å; F1160-V1164 HydrophobicContact CD1-CG2 4.38Å; F1160-V1164 HydrophobicContact CE1-CG2 3.99Å; F1160-V1164 HydrophobicContact CE2-CG2 4.41Å; F1160-V1164 HydrophobicContact CZ-CG2 4.01Å; F1160-V1164 WeakPolarHBondContact O-CG2 3.43Å; F1160-V1164 PolarHBondContact O-N 2.76Å
1161K87.6Confident83Confident11 Ų1159.9 Ų59.95%0.04827%0.272CS..Hα-helixtrans-57.1-46.8170.2-74.4176.9175.7-177.40111.4D980 F1149 V1157 D1158 F1163 V1164 F1165 Y1319D980-K1161 WeakPolarHBondContact OD1-CE 3.33Å; D980-K1161 IonicContact OD1-NZ 3.1Å; D980-K1161 PolarHBondContact OD1-NZ 2.98Å; D980-K1161 IonicContact OD2-NZ 2.99Å; D980-K1161 PolarHBondContact OD2-NZ 3.35Å; F1149-K1161 HydrophobicContact CB-CD 4.36Å; F1149-K1161 HydrophobicContact CD2-CB 3.76Å; F1149-K1161 HydrophobicContact CE2-CB 4.09Å; F1149-K1161 HydrophobicContact CG-CB 4.17Å; F1149-K1161 HydrophobicContact CG-CD 4.3Å; V1157-K1161 HydrophobicContact CG1-CG 4.48Å; V1157-K1161 WeakPolarHBondContact O-CG 3.44Å; V1157-K1161 PolarHBondContact O-N 2.63Å; D1158-K1161 PolarHBondContact O-N 3.11Å; K1161-F1163 VanDerWaalsContact C-N 3.26Å; K1161-F1163 PolarHBondContact O-N 3.42Å; K1161-V1164 PolarHBondContact O-N 3.22Å; K1161-F1165 HydrophobicContact CB-CD2 4.01Å; K1161-F1165 HydrophobicContact CB-CE2 4.3Å; K1161-F1165 HydrophobicContact CG-CD2 4.4Å; K1161-F1165 HydrophobicContact CG-CE2 4.18Å; K1161-F1165 WeakPolarHBondContact O-CB 3.36Å; K1161-F1165 VanDerWaalsContact O-CD2 3.26Å; K1161-F1165 WeakPolarHBondContact O-CD2 3.47Å; K1161-F1165 PolarHBondContact O-N 3.16Å; K1161-Y1319 HydrophobicContact CD-CD1 4.44Å; K1161-Y1319 HydrophobicContact CD-CE1 4.23Å; K1161-Y1319 PolarHBondContact NZ-OH 3.01Å
1162S85.5Confident83.6Confident10 Ų1057.3 Ų57.37%0.0726%0.259CS..Hα-helixtrans-58.9-37.5176.3-175.60000112D1158 Y1159 F1160 H1166D1158-S1162 VanDerWaalsContact O-CB 3.3Å; D1158-S1162 WeakPolarHBondContact O-CB 3.26Å; D1158-S1162 PolarHBondContact O-N 2.72Å; Y1159-S1162 WeakPolarHBondContact O-CB 3.39Å; Y1159-S1162 PolarHBondContact O-N 2.83Å; F1160-S1162 PolarHBondContact O-N 3.4Å; S1162-H1166 WeakPolarHBondContact O-CB 3.37Å; S1162-H1166 PolarHBondContact O-N 3.08Å
1163F85.4Confident84.3Confident112 Ų11255 Ų5549%0.49124%0.244SC..Iπ-helixtrans-66.2-53.5174.9-178.7-103.8000111.9Y1159 F1160 K1161 Y1167 G1168 I1171Y1159-F1163 PolarHBondContact O-N 3.48Å; F1160-F1163 WeakPolarHBondContact O-CB 3.48Å; F1160-F1163 PolarHBondContact O-N 2.93Å; F1160-F1163 VanDerWaalsContact O-N 3.17Å; K1161-F1163 VanDerWaalsContact C-N 3.26Å; K1161-F1163 PolarHBondContact O-N 3.42Å; F1163-Y1167 HydrophobicContact CD2-CD2 4.48Å; F1163-Y1167 PolarHBondContact O-N 3.45Å; F1163-G1168 PolarHBondContact O-N 2.62Å; F1163-I1171 HydrophobicContact CE1-CD1 4.19Å; F1163-I1171 HydrophobicContact CE2-CD1 4.33Å; F1163-I1171 HydrophobicContact CZ-CD1 3.74Å
1164V87Confident84.7Confident28 Ų2853.7 Ų53.717%0.1724%0.24CC..Iπ-helixtrans-64.2-51-176.9175.70000112.3F1160 K1161 G1168 F1310 I1314F1160-V1164 HydrophobicContact CD1-CG2 4.38Å; F1160-V1164 HydrophobicContact CE1-CG2 3.99Å; F1160-V1164 HydrophobicContact CE2-CG2 4.41Å; F1160-V1164 HydrophobicContact CZ-CG2 4.01Å; F1160-V1164 WeakPolarHBondContact O-CG2 3.43Å; F1160-V1164 PolarHBondContact O-N 2.76Å; K1161-V1164 PolarHBondContact O-N 3.22Å; V1164-G1168 WeakPolarHBondContact O-CA 3.39Å; V1164-G1168 PolarHBondContact O-N 3.46Å; V1164-F1310 HydrophobicContact CG1-CE1 4.25Å; V1164-I1314 HydrophobicContact CG1-CD1 3.83Å; V1164-I1314 HydrophobicContact CG1-CG1 4.43Å
1165F88.8Confident85.4Confident27 Ų2746.9 Ų46.912%0.11821%0.213CC..Iπ-helixtrans-83.1-33.7-170.6-65.6-66.7000114.2F1149 K1161 I1314 Y1319F1149-F1165 HydrophobicContact CE2-CB 4.42Å; F1149-F1165 HydrophobicContact CZ-CB 4.06Å; F1149-F1165 HydrophobicContact CZ-CD2 4.28Å; F1149-F1165 HydrophobicContact CZ-CG 4.48Å; K1161-F1165 HydrophobicContact CB-CD2 4.01Å; K1161-F1165 HydrophobicContact CB-CE2 4.3Å; K1161-F1165 HydrophobicContact CG-CD2 4.4Å; K1161-F1165 HydrophobicContact CG-CE2 4.18Å; K1161-F1165 WeakPolarHBondContact O-CB 3.36Å; K1161-F1165 VanDerWaalsContact O-CD2 3.26Å; K1161-F1165 WeakPolarHBondContact O-CD2 3.47Å; K1161-F1165 PolarHBondContact O-N 3.16Å; F1165-I1314 HydrophobicContact CD1-CG1 4.19Å; F1165-I1314 HydrophobicContact CD1-CG2 3.94Å; F1165-I1314 HydrophobicContact CE1-CG1 4.05Å; F1165-I1314 HydrophobicContact CE1-CG2 4.46Å; F1165-Y1319 HydrophobicContact CD2-CD2 4.37Å; F1165-Y1319 HydrophobicContact CD2-CG 4.03Å; F1165-Y1319 HydrophobicContact CE1-CD2 4.17Å; F1165-Y1319 HydrophobicContact CE1-CG 4.45Å; F1165-Y1319 AromaticContact CE2-CD2 3.55Å; F1165-Y1319 HydrophobicContact CE2-CD2 3.55Å; F1165-Y1319 HydrophobicContact CE2-CE2 4.42Å; F1165-Y1319 AromaticContact CE2-CG 3.65Å; F1165-Y1319 HydrophobicContact CE2-CG 3.65Å; F1165-Y1319 AromaticContact CZ-CD2 3.44Å; F1165-Y1319 HydrophobicContact CZ-CD2 3.44Å; F1165-Y1319 VanDerWaalsContact CZ-CD2 3.44Å; F1165-Y1319 HydrophobicContact CZ-CE2 4.38Å; F1165-Y1319 AromaticContact CZ-CG 3.9Å; F1165-Y1319 HydrophobicContact CZ-CG 3.9Å
1166H85.6Confident86.1Confident13 Ų1345.8 Ų45.86%0.0621%0.205CC..Iπ-helixtrans-92.2-37.7-177.2-172.974.5000113.1S1162 H1169 Y1327S1162-H1166 WeakPolarHBondContact O-CB 3.37Å; S1162-H1166 PolarHBondContact O-N 3.08Å; H1166-H1169 PolarHBondContact O-CE1 3.08Å; H1166-H1169 VanDerWaalsContact O-CE1 3.28Å; H1166-H1169 PolarHBondContact O-ND1 3.37Å; H1166-Y1327 AromaticContact CE1-CE1 3.4Å; H1166-Y1327 VanDerWaalsContact CE1-CE1 3.4Å; H1166-Y1327 WeakPolarHBondContact CE1-CE1 3.49Å; H1166-Y1327 AromaticContact CE1-CZ 3.76Å; H1166-Y1327 AromaticContact ND1-CE1 3.85Å; H1166-Y1327 AromaticContact ND1-CZ 3.71Å; H1166-Y1327 PolarHBondContact ND1-OH 3.17Å; H1166-Y1327 PolarHBondContact O-OH 3.35Å; H1166-Y1327 VanDerWaalsContact O-OH 3.06Å
1167Y86.8Confident86.6Confident95 Ų9537.9 Ų37.937%0.37318%0.175SC..Iπ-helixtrans-102-14.6-177.9-61.2-58.1000114.6F1163 H1169 W1170F1163-Y1167 HydrophobicContact CD2-CD2 4.48Å; F1163-Y1167 PolarHBondContact O-N 3.45Å; Y1167-H1169 PolarHBondContact O-N 3.13Å; Y1167-H1169 VanDerWaalsContact O-N 3.13Å; Y1167-W1170 PolarHBondContact O-N 2.8Å; Y1167-W1170 VanDerWaalsContact O-N 3.09Å
1168G86.2Confident86.6Confident9 Ų939.3 Ų39.39%0.09319%0.188CC..Hα-helixtrans-53.8-35.2-176.400000115.1F1163 V1164 W1170 I1171 T1172F1163-G1168 PolarHBondContact O-N 2.62Å; V1164-G1168 WeakPolarHBondContact O-CA 3.39Å; V1164-G1168 PolarHBondContact O-N 3.46Å; G1168-W1170 PolarHBondContact O-N 3.34Å; G1168-I1171 WeakPolarHBondContact O-CB 3.37Å; G1168-I1171 PolarHBondContact O-N 3.36Å; G1168-I1171 VanDerWaalsContact O-N 3.13Å; G1168-T1172 WeakPolarHBondContact O-CG2 3.31Å; G1168-T1172 PolarHBondContact O-N 2.9Å
1169H86.5Confident86.6Confident3 Ų339.9 Ų39.91%0.01419%0.192CC..Hα-helixtrans-64.5-37.1179.573.3-88.7000113.2H1166 Y1167 T1172 L1173 Y1206 Y1327H1166-H1169 PolarHBondContact O-CE1 3.08Å; H1166-H1169 VanDerWaalsContact O-CE1 3.28Å; H1166-H1169 PolarHBondContact O-ND1 3.37Å; Y1167-H1169 PolarHBondContact O-N 3.13Å; Y1167-H1169 VanDerWaalsContact O-N 3.13Å; H1169-T1172 WeakPolarHBondContact CA-OG1 3.28Å; H1169-T1172 PolarHBondContact O-N 3.04Å; H1169-T1172 PolarHBondContact O-OG1 2.98Å; H1169-L1173 PolarHBondContact O-N 3.24Å; H1169-L1173 VanDerWaalsContact O-N 3.09Å; H1169-Y1206 WeakPolarHBondContact CB-OH 2.93Å; H1169-Y1206 AromaticContact CD2-CE2 3.47Å; H1169-Y1206 VanDerWaalsContact CD2-CE2 3.47Å; H1169-Y1206 WeakPolarHBondContact CD2-CE2 3.08Å; H1169-Y1206 AromaticContact CD2-CZ 3.76Å; H1169-Y1206 PolarHBondContact CD2-OH 3.42Å; H1169-Y1206 VanDerWaalsContact CD2-OH 3.31Å; H1169-Y1206 AromaticContact CG-CE2 3.92Å; H1169-Y1206 AromaticContact CG-CZ 3.92Å; H1169-Y1206 AromaticContact NE2-CE2 3.56Å; H1169-Y1327 PolarHBondContact CE1-OH 3.41Å; H1169-Y1327 VanDerWaalsContact CE1-OH 3.29Å
1170W87.6Confident86.8Confident52 Ų5234.2 Ų34.220%0.19717%0.17CC..Hα-helixtrans-62-46.4172.5-67.5100000110Y1167 G1168 T1172 L1173 M1174 L1199 N1203Y1167-W1170 PolarHBondContact O-N 2.8Å; Y1167-W1170 VanDerWaalsContact O-N 3.09Å; G1168-W1170 PolarHBondContact O-N 3.34Å; W1170-T1172 VanDerWaalsContact C-N 3.29Å; W1170-T1172 PolarHBondContact O-N 3.4Å; W1170-L1173 WeakPolarHBondContact O-CB 3.47Å; W1170-L1173 PolarHBondContact O-N 2.71Å; W1170-L1173 VanDerWaalsContact O-N 3.07Å; W1170-M1174 WeakPolarHBondContact O-CE 3.38Å; W1170-M1174 WeakPolarHBondContact O-CG 3.21Å; W1170-M1174 PolarHBondContact O-N 3.24Å; W1170-L1199 HydrophobicContact CE3-CD1 4.03Å; W1170-L1199 HydrophobicContact CZ3-CD1 3.59Å; W1170-N1203 WeakPolarHBondContact CZ2-OD1 3.4Å
1171I87.6Confident86.9Confident64 Ų6430.3 Ų30.333%0.32816%0.155SC..Hα-helixtrans-57.3-42.5178.4-60.2171.1000111F1163 G1168 L1173 M1174 S1175 F1307F1163-I1171 HydrophobicContact CE1-CD1 4.19Å; F1163-I1171 HydrophobicContact CE2-CD1 4.33Å; F1163-I1171 HydrophobicContact CZ-CD1 3.74Å; G1168-I1171 WeakPolarHBondContact O-CB 3.37Å; G1168-I1171 PolarHBondContact O-N 3.36Å; G1168-I1171 VanDerWaalsContact O-N 3.13Å; I1171-L1173 PolarHBondContact O-N 2.96Å; I1171-M1174 WeakPolarHBondContact O-CB 3.36Å; I1171-M1174 PolarHBondContact O-N 2.89Å; I1171-S1175 PolarHBondContact O-N 3.26Å; I1171-F1307 HydrophobicContact CG2-CE1 4.15Å
1172T90Very high86.5Confident5 Ų532 Ų323%0.03117%0.171CC..Hα-helixtrans-65.4-37.817760.40000113.1G1168 H1169 W1170 M1174 S1175 T1176 W1222 F1307 Q1311G1168-T1172 WeakPolarHBondContact O-CG2 3.31Å; G1168-T1172 PolarHBondContact O-N 2.9Å; H1169-T1172 WeakPolarHBondContact CA-OG1 3.28Å; H1169-T1172 PolarHBondContact O-N 3.04Å; H1169-T1172 PolarHBondContact O-OG1 2.98Å; W1170-T1172 VanDerWaalsContact C-N 3.29Å; W1170-T1172 PolarHBondContact O-N 3.4Å; T1172-M1174 VanDerWaalsContact C-N 3.33Å; T1172-M1174 PolarHBondContact O-N 3.49Å; T1172-S1175 WeakPolarHBondContact O-CB 3.4Å; T1172-S1175 PolarHBondContact O-N 3.48Å; T1172-T1176 PolarHBondContact O-N 3.44Å; T1172-T1176 PolarHBondContact O-OG1 2.74Å; T1172-T1176 VanDerWaalsContact O-OG1 3.12Å; T1172-W1222 VanDerWaalsContact OG1-CH2 3.29Å; T1172-W1222 WeakPolarHBondContact OG1-CH2 3.44Å; T1172-F1307 HydrophobicContact CG2-CB 3.93Å; T1172-F1307 HydrophobicContact CG2-CD1 4.2Å; T1172-F1307 HydrophobicContact CG2-CG 4.48Å; T1172-Q1311 HydrophobicContact CG2-CB 3.67Å; T1172-Q1311 HydrophobicContact CG2-CG 3.92Å
1173L88.7Confident86Confident9 Ų932 Ų325%0.04717%0.172CC..Hα-helixtrans-65.1-35.8172.6-69.2175.3000112H1169 W1170 I1171 T1176 L1177 M1198 W1222H1169-L1173 PolarHBondContact O-N 3.24Å; H1169-L1173 VanDerWaalsContact O-N 3.09Å; W1170-L1173 WeakPolarHBondContact O-CB 3.47Å; W1170-L1173 PolarHBondContact O-N 2.71Å; W1170-L1173 VanDerWaalsContact O-N 3.07Å; I1171-L1173 PolarHBondContact O-N 2.96Å; L1173-T1176 WeakPolarHBondContact CA-OG1 3.34Å; L1173-T1176 PolarHBondContact O-N 3.31Å; L1173-T1176 PolarHBondContact O-OG1 2.68Å; L1173-L1177 WeakPolarHBondContact O-CB 3.47Å; L1173-L1177 PolarHBondContact O-N 3.41Å; L1173-M1198 HydrophobicContact CD1-CB 4.43Å; L1173-M1198 HydrophobicContact CD2-CB 3.84Å; L1173-M1198 HydrophobicContact CD2-CG 4.46Å; L1173-W1222 HydrophobicContact CD2-CH2 3.91Å; L1173-W1222 HydrophobicContact CD2-CZ2 4.4Å; L1173-W1222 HydrophobicContact CG-CH2 4.07Å
1174M85.5Confident85.6Confident59 Ų5928 Ų2829%0.29116%0.157SC..Hα-helixtrans-62.9-44.2173.5-51.9-54.781.900110.7W1170 I1171 T1172 T1176 L1177 A1178 L1199 F1716W1170-M1174 WeakPolarHBondContact O-CE 3.38Å; W1170-M1174 WeakPolarHBondContact O-CG 3.21Å; W1170-M1174 PolarHBondContact O-N 3.24Å; I1171-M1174 WeakPolarHBondContact O-CB 3.36Å; I1171-M1174 PolarHBondContact O-N 2.89Å; T1172-M1174 VanDerWaalsContact C-N 3.33Å; T1172-M1174 PolarHBondContact O-N 3.49Å; M1174-T1176 PolarHBondContact O-N 2.87Å; M1174-L1177 PolarHBondContact O-N 3.34Å; M1174-A1178 WeakPolarHBondContact O-CB 3.39Å; M1174-A1178 PolarHBondContact O-N 3.14Å; M1174-L1199 HydrophobicContact CE-CD1 4.42Å; M1174-F1716 HydrophobicContact CE-CD1 3.97Å; M1174-F1716 HydrophobicContact CE-CE1 3.2Å; M1174-F1716 HydrophobicContact CE-CE2 4.23Å; M1174-F1716 HydrophobicContact CE-CZ 3.33Å; M1174-F1716 HydrophobicContact SD-CD1 3.86Å; M1174-F1716 HydrophobicContact SD-CD2 3.97Å; M1174-F1716 HydrophobicContact SD-CE1 3.47Å; M1174-F1716 WeakPolarHBondContact SD-CE1 3.42Å; M1174-F1716 HydrophobicContact SD-CE2 3.52Å; M1174-F1716 VanDerWaalsContact SD-CE2 3.52Å; M1174-F1716 HydrophobicContact SD-CG 4.13Å; M1174-F1716 HydrophobicContact SD-CZ 3.26Å; M1174-F1716 WeakPolarHBondContact SD-CZ 3.31Å
1175S88.4Confident85.5Confident19 Ų1926.9 Ų26.913%0.13315%0.15CC..Hα-helixtrans-61.5-43179.2-171.10000111.8I1171 T1172 A1178 A1179 F1307I1171-S1175 PolarHBondContact O-N 3.26Å; T1172-S1175 WeakPolarHBondContact O-CB 3.4Å; T1172-S1175 PolarHBondContact O-N 3.48Å; S1175-A1178 PolarHBondContact O-N 2.87Å; S1175-A1179 PolarHBondContact O-N 3.43Å; S1175-A1179 VanDerWaalsContact O-N 3.1Å; S1175-F1307 WeakPolarHBondContact OG-CD2 3.31Å
1176T89.5Confident85.4Confident1 Ų128.8 Ų28.81%0.00616%0.162CC..Hα-helixtrans-71.9-31.3177.147.10000112.7T1172 L1173 M1174 G1180 T1195 L1225 A1304 L1308T1172-T1176 PolarHBondContact O-N 3.44Å; T1172-T1176 PolarHBondContact O-OG1 2.74Å; T1172-T1176 VanDerWaalsContact O-OG1 3.12Å; L1173-T1176 WeakPolarHBondContact CA-OG1 3.34Å; L1173-T1176 PolarHBondContact O-N 3.31Å; L1173-T1176 PolarHBondContact O-OG1 2.68Å; M1174-T1176 PolarHBondContact O-N 2.87Å; T1176-G1180 PolarHBondContact O-N 3.14Å; T1176-T1195 WeakPolarHBondContact OG1-CG2 3.45Å; T1176-L1225 HydrophobicContact CG2-CD2 4.22Å; T1176-A1304 HydrophobicContact CG2-CB 4.24Å; T1176-L1308 HydrophobicContact CG2-CD1 4.32Å; T1176-L1308 HydrophobicContact CG2-CD2 4.47Å; T1176-L1308 HydrophobicContact CG2-CG 4.48Å
1177L88.9Confident85.5Confident12 Ų1229.1 Ų29.16%0.06316%0.163CC..Hα-helixtrans-71-39.8173.5-176.670.5000110.4L1173 M1174 A1179 G1180 I1181 I1192 T1195 I1712 F1716L1173-L1177 WeakPolarHBondContact O-CB 3.47Å; L1173-L1177 PolarHBondContact O-N 3.41Å; M1174-L1177 PolarHBondContact O-N 3.34Å; L1177-A1179 VanDerWaalsContact C-N 3.32Å; L1177-A1179 PolarHBondContact O-N 3.14Å; L1177-G1180 CarbonylContact O-C 3.6Å; L1177-G1180 WeakPolarHBondContact O-CA 3.31Å; L1177-G1180 PolarHBondContact O-N 3.13Å; L1177-I1181 HydrophobicContact CD1-CD1 4.45Å; L1177-I1181 HydrophobicContact CD2-CD1 4.1Å; L1177-I1181 HydrophobicContact CG-CD1 3.7Å; L1177-I1181 HydrophobicContact CG-CG1 4.31Å; L1177-I1181 WeakPolarHBondContact O-CD1 3.35Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.49Å; L1177-I1181 PolarHBondContact O-N 3.28Å; L1177-I1192 HydrophobicContact CD1-CG1 4.2Å; L1177-T1195 HydrophobicContact CB-CG2 4.3Å; L1177-T1195 VanDerWaalsContact CD1-OG1 3.28Å; L1177-T1195 WeakPolarHBondContact CD1-OG1 3.36Å; L1177-I1712 HydrophobicContact CD2-CG2 4.27Å; L1177-F1716 HydrophobicContact CD2-CE2 3.91Å; L1177-F1716 HydrophobicContact CD2-CZ 3.45Å; L1177-F1716 VanDerWaalsContact CD2-CZ 3.45Å
1178A84.9Confident85.6Confident42 Ų4224.8 Ų24.835%0.34715%0.147SC..Hα-helixtrans-59.2-41.5174.700000112M1174 S1175 G1180 I1181 A1182M1174-A1178 WeakPolarHBondContact O-CB 3.39Å; M1174-A1178 PolarHBondContact O-N 3.14Å; S1175-A1178 PolarHBondContact O-N 2.87Å; A1178-G1180 PolarHBondContact O-N 3.37Å; A1178-I1181 PolarHBondContact O-N 3.12Å; A1178-I1181 VanDerWaalsContact O-N 3.15Å; A1178-A1182 WeakPolarHBondContact O-CB 3.29Å; A1178-A1182 PolarHBondContact O-N 3.31Å
1179A84.9Confident85.6Confident12 Ų1226.6 Ų26.610%0.09915%0.154CC..Hα-helixtrans-61.2-29.4171.700000113.1S1175 L1177 Y1191 F1300S1175-A1179 PolarHBondContact O-N 3.43Å; S1175-A1179 VanDerWaalsContact O-N 3.1Å; L1177-A1179 VanDerWaalsContact C-N 3.32Å; L1177-A1179 PolarHBondContact O-N 3.14Å; A1179-Y1191 HydrophobicContact CB-CD2 4.25Å; A1179-Y1191 HydrophobicContact CB-CE2 4.2Å; A1179-F1300 HydrophobicContact CB-CB 4.21Å
1180G84.4Confident85.7Confident0 Ų027.1 Ų27.10%016%0.16CC..Hα-helixtrans-81.9-20.2173.200000115.6T1176 L1177 A1178 A1188 I1192T1176-G1180 PolarHBondContact O-N 3.14Å; L1177-G1180 CarbonylContact O-C 3.6Å; L1177-G1180 WeakPolarHBondContact O-CA 3.31Å; L1177-G1180 PolarHBondContact O-N 3.13Å; A1178-G1180 PolarHBondContact O-N 3.37Å; G1180-A1188 WeakPolarHBondContact CA-O 3.42Å; G1180-A1188 WeakPolarHBondContact O-CB 3.5Å; G1180-I1192 WeakPolarHBondContact O-CD1 3.5Å
1181I84.6Confident85.9Confident54 Ų5424.8 Ų24.828%0.27715%0.152SC..Hα-helixtrans-90.7-26.7176.8-61.3150.9000111.4L1177 A1178 G1183 I1712L1177-I1181 HydrophobicContact CD1-CD1 4.45Å; L1177-I1181 HydrophobicContact CD2-CD1 4.1Å; L1177-I1181 HydrophobicContact CG-CD1 3.7Å; L1177-I1181 HydrophobicContact CG-CG1 4.31Å; L1177-I1181 WeakPolarHBondContact O-CD1 3.35Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.49Å; L1177-I1181 PolarHBondContact O-N 3.28Å; A1178-I1181 PolarHBondContact O-N 3.12Å; A1178-I1181 VanDerWaalsContact O-N 3.15Å; I1181-G1183 PolarHBondContact O-N 2.8Å; I1181-I1712 HydrophobicContact CD1-CD1 3.34Å; I1181-I1712 HydrophobicContact CD1-CG1 4.19Å; I1181-I1712 HydrophobicContact CG1-CD1 3.89Å; I1181-I1712 HydrophobicContact CG2-CD1 4.18Å
1182A79.7Confident85.9Confident46 Ų4622.2 Ų22.238%0.3814%0.138SC..SBendtrans-68.7-1.1-17400000115.4A1178 F1300A1178-A1182 WeakPolarHBondContact O-CB 3.29Å; A1178-A1182 PolarHBondContact O-N 3.31Å; A1182-F1300 HydrophobicContact CB-CD2 3.62Å; A1182-F1300 HydrophobicContact CB-CE2 3.68Å; A1182-F1300 HydrophobicContact CB-CG 4.09Å; A1182-F1300 HydrophobicContact CB-CZ 4.2Å
1183G74.8Confident85.9Confident10 Ų1026.4 Ų26.410%0.10316%0.16CC..  trans-163.9165.9175.100000111.9I1181 A1188I1181-G1183 PolarHBondContact O-N 2.8Å; G1183-A1188 WeakPolarHBondContact O-CB 3.39Å
1184T77.7Confident85.9Confident27 Ų2730.1 Ų30.117%0.16618%0.176CC..  trans-101.42-176.367.50000114.6E1295 Q1673 F1674T1184-E1295 WeakPolarHBondContact CA-OE1 3.49Å; T1184-E1295 WeakPolarHBondContact CB-OE1 3.29Å; T1184-E1295 PolarHBondContact N-OE1 2.9Å; T1184-E1295 PolarHBondContact N-OE2 2.81Å; T1184-E1295 VanDerWaalsContact N-OE2 3.14Å; T1184-E1295 PolarHBondContact OG1-OE1 2.94Å; T1184-Q1673 HydrophobicContact CG2-CB 3.76Å; T1184-Q1673 HydrophobicContact CG2-CG 4.49Å; T1184-F1674 WeakPolarHBondContact O-CE1 3.23Å; T1184-F1674 VanDerWaalsContact O-CZ 3.27Å; T1184-F1674 WeakPolarHBondContact O-CZ 3.42Å
1185S84.6Confident86.1Confident5 Ų527.5 Ų27.54%0.03516%0.163CC..SBendtrans-60.6161.6176.569.80000115.7F1187 A1188 L1189 E1295S1185-F1187 PolarHBondContact O-N 3.46Å; S1185-A1188 VanDerWaalsContact O-CB 3.31Å; S1185-A1188 WeakPolarHBondContact O-CB 3.21Å; S1185-A1188 PolarHBondContact O-N 3.33Å; S1185-A1188 PolarHBondContact OG-N 3.28Å; S1185-L1189 PolarHBondContact O-N 2.8Å; S1185-L1189 VanDerWaalsContact O-N 3.15Å; S1185-E1295 WeakPolarHBondContact CB-OE2 3.38Å; S1185-E1295 PolarHBondContact N-OE2 2.78Å
1186L86.1Confident86.1Confident67 Ų6727.9 Ų27.935%0.35116%0.164SC..Hα-helixtrans-57.4-33171.1-172.868.4000112.8A1188 L1189 G1190 L1266 F1267L1186-A1188 VanDerWaalsContact C-N 3.29Å; L1186-A1188 PolarHBondContact O-N 3.34Å; L1186-L1189 HydrophobicContact CD1-CD2 4.28Å; L1186-L1189 PolarHBondContact O-N 3.45Å; L1186-G1190 PolarHBondContact O-N 3.44Å; L1186-G1190 VanDerWaalsContact O-N 3.15Å; L1186-L1266 HydrophobicContact CB-CD1 4.47Å; L1186-L1266 HydrophobicContact CB-CG 4.13Å; L1186-L1266 WeakPolarHBondContact CB-O 3.27Å; L1186-L1266 HydrophobicContact CD2-CD2 4.25Å; L1186-L1266 HydrophobicContact CD2-CG 4.48Å; L1186-L1266 PolarHBondContact N-O 3.13Å; L1186-F1267 HydrophobicContact CD2-CE1 3.84Å; L1186-F1267 HydrophobicContact CD2-CZ 4.06Å
1187F89Confident85.9Confident20 Ų2031.6 Ų31.69%0.08819%0.186CC..Hα-helixtrans-64.1-36.7175.7-59.4-62.2000111.7S1185 G1190 Y1191 Y1228 T1232 M1235 L1239 F1267S1185-F1187 PolarHBondContact O-N 3.46Å; F1187-G1190 PolarHBondContact O-N 3.23Å; F1187-Y1191 WeakPolarHBondContact O-CD2 3.34Å; F1187-Y1191 PolarHBondContact O-N 3.02Å; F1187-Y1228 WeakPolarHBondContact CA-OH 3.17Å; F1187-Y1228 PolarHBondContact O-OH 2.69Å; F1187-T1232 HydrophobicContact CB-CG2 4.13Å; F1187-T1232 HydrophobicContact CD1-CG2 3.94Å; F1187-T1232 HydrophobicContact CG-CG2 4.31Å; F1187-M1235 HydrophobicContact CZ-CB 4.39Å; F1187-L1239 HydrophobicContact CE2-CD1 4.21Å; F1187-L1239 HydrophobicContact CZ-CD1 4.18Å; F1187-F1267 AromaticContact CE2-CD1 3.99Å; F1187-F1267 HydrophobicContact CE2-CD1 3.99Å; F1187-F1267 AromaticContact CZ-CD1 3.86Å; F1187-F1267 HydrophobicContact CZ-CD1 3.86Å; F1187-F1267 HydrophobicContact CZ-CE1 4.37Å
1188A87.2Confident85.8Confident5 Ų531.7 Ų31.74%0.04119%0.186CC..Hα-helixtrans-69.9-41.1176.700000112G1180 G1183 S1185 L1186 G1190 Y1191 I1192 F1670G1180-A1188 WeakPolarHBondContact CA-O 3.42Å; G1180-A1188 WeakPolarHBondContact O-CB 3.5Å; G1183-A1188 WeakPolarHBondContact O-CB 3.39Å; S1185-A1188 VanDerWaalsContact O-CB 3.31Å; S1185-A1188 WeakPolarHBondContact O-CB 3.21Å; S1185-A1188 PolarHBondContact O-N 3.33Å; S1185-A1188 PolarHBondContact OG-N 3.28Å; L1186-A1188 VanDerWaalsContact C-N 3.29Å; L1186-A1188 PolarHBondContact O-N 3.34Å; A1188-G1190 VanDerWaalsContact C-N 3.29Å; A1188-G1190 PolarHBondContact O-N 3.01Å; A1188-Y1191 WeakPolarHBondContact O-CB 3.34Å; A1188-Y1191 PolarHBondContact O-N 2.95Å; A1188-Y1191 VanDerWaalsContact O-N 3.13Å; A1188-I1192 PolarHBondContact O-N 3.49Å; A1188-I1192 VanDerWaalsContact O-N 3.1Å; A1188-F1670 HydrophobicContact CB-CZ 4.39Å
1189L87.9Confident85.9Confident46 Ų4630 Ų3024%0.24117%0.172CC..Hα-helixtrans-57-41.4172.6-178.164.7000112.1S1185 L1186 Y1191 I1192 I1193 F1670S1185-L1189 PolarHBondContact O-N 2.8Å; S1185-L1189 VanDerWaalsContact O-N 3.15Å; L1186-L1189 HydrophobicContact CD1-CD2 4.28Å; L1186-L1189 PolarHBondContact O-N 3.45Å; L1189-Y1191 VanDerWaalsContact C-N 3.35Å; L1189-Y1191 PolarHBondContact O-N 3.01Å; L1189-I1192 PolarHBondContact O-N 3.34Å; L1189-I1193 HydrophobicContact CD1-CD1 4.24Å; L1189-I1193 HydrophobicContact CD1-CG1 4.42Å; L1189-I1193 HydrophobicContact CD2-CD1 4.46Å; L1189-I1193 HydrophobicContact CG-CD1 3.92Å; L1189-I1193 HydrophobicContact CG-CG1 4.49Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.49Å; L1189-I1193 PolarHBondContact O-N 3.44Å; L1189-F1670 HydrophobicContact CB-CE1 3.93Å; L1189-F1670 HydrophobicContact CB-CZ 4.14Å; L1189-F1670 HydrophobicContact CD1-CD1 4.15Å; L1189-F1670 HydrophobicContact CD1-CE1 3.92Å; L1189-F1670 HydrophobicContact CG-CE1 4.43Å
1190G88.4Confident85.9Confident14 Ų1435.2 Ų35.214%0.14419%0.189CC..Hα-helixtrans-60-41.4175.900000113L1186 F1187 A1188 I1193 F1194 Y1228L1186-G1190 PolarHBondContact O-N 3.44Å; L1186-G1190 VanDerWaalsContact O-N 3.15Å; F1187-G1190 PolarHBondContact O-N 3.23Å; A1188-G1190 VanDerWaalsContact C-N 3.29Å; A1188-G1190 PolarHBondContact O-N 3.01Å; G1190-I1193 PolarHBondContact O-N 3.11Å; G1190-F1194 WeakPolarHBondContact O-CD2 3.35Å; G1190-F1194 PolarHBondContact O-N 2.95Å; G1190-Y1228 WeakPolarHBondContact CA-OH 3.5Å
1191Y90.9Very high85.7Confident3 Ų336.4 Ų36.41%0.01220%0.197CC..Hα-helixtrans-61.5-44.2172.8-76.7-58.4000112.5A1179 F1187 A1188 L1189 I1193 F1194 T1195 L1225 Y1228 T1229 T1232 D1301A1179-Y1191 HydrophobicContact CB-CD2 4.25Å; A1179-Y1191 HydrophobicContact CB-CE2 4.2Å; F1187-Y1191 WeakPolarHBondContact O-CD2 3.34Å; F1187-Y1191 PolarHBondContact O-N 3.02Å; A1188-Y1191 WeakPolarHBondContact O-CB 3.34Å; A1188-Y1191 PolarHBondContact O-N 2.95Å; A1188-Y1191 VanDerWaalsContact O-N 3.13Å; L1189-Y1191 VanDerWaalsContact C-N 3.35Å; L1189-Y1191 PolarHBondContact O-N 3.01Å; Y1191-I1193 PolarHBondContact O-N 3.39Å; Y1191-F1194 PolarHBondContact O-N 3.01Å; Y1191-T1195 WeakPolarHBondContact O-CB 3.46Å; Y1191-T1195 VanDerWaalsContact O-CG2 3.27Å; Y1191-T1195 WeakPolarHBondContact O-CG2 3.06Å; Y1191-T1195 PolarHBondContact O-N 3.23Å; Y1191-T1195 PolarHBondContact O-OG1 3.37Å; Y1191-L1225 HydrophobicContact CD1-CD1 4.47Å; Y1191-Y1228 AromaticContact CD1-CD1 3.96Å; Y1191-Y1228 HydrophobicContact CD1-CD1 3.96Å; Y1191-Y1228 AromaticContact CD1-CE1 3.85Å; Y1191-Y1228 HydrophobicContact CD1-CE1 3.85Å; Y1191-Y1228 HydrophobicContact CD2-CE1 4.15Å; Y1191-Y1228 AromaticContact CE1-CD1 3.72Å; Y1191-Y1228 HydrophobicContact CE1-CD1 3.72Å; Y1191-Y1228 AromaticContact CE1-CE1 3.87Å; Y1191-Y1228 HydrophobicContact CE1-CE1 3.87Å; Y1191-Y1228 HydrophobicContact CE2-CE1 4.18Å; Y1191-Y1228 AromaticContact CG-CE1 4Å; Y1191-Y1228 HydrophobicContact CG-CE1 4Å; Y1191-T1229 WeakPolarHBondContact CE1-OG1 3.14Å; Y1191-T1229 PolarHBondContact OH-OG1 3.26Å; Y1191-T1229 VanDerWaalsContact OH-OG1 3.05Å; Y1191-T1232 PolarHBondContact OH-OG1 2.73Å; Y1191-D1301 VanDerWaalsContact CE2-OD1 3.23Å; Y1191-D1301 WeakPolarHBondContact CE2-OD1 3.32Å; Y1191-D1301 PolarHBondContact OH-OD1 2.72Å
1192I88.5Confident85.3Confident10 Ų1034.3 Ų34.35%0.05119%0.189CC..Hα-helixtrans-60.2-46.2176.8-65169.4000110.5L1177 G1180 A1188 L1189 T1195 L1196 F1670L1177-I1192 HydrophobicContact CD1-CG1 4.2Å; G1180-I1192 WeakPolarHBondContact O-CD1 3.5Å; A1188-I1192 PolarHBondContact O-N 3.49Å; A1188-I1192 VanDerWaalsContact O-N 3.1Å; L1189-I1192 PolarHBondContact O-N 3.34Å; I1192-T1195 WeakPolarHBondContact CA-OG1 3.39Å; I1192-T1195 PolarHBondContact O-N 3Å; I1192-T1195 PolarHBondContact O-OG1 3.5Å; I1192-T1195 VanDerWaalsContact O-OG1 3.07Å; I1192-L1196 HydrophobicContact CG2-CD1 3.66Å; I1192-L1196 HydrophobicContact CG2-CG 4.16Å; I1192-L1196 WeakPolarHBondContact O-CB 3.48Å; I1192-L1196 VanDerWaalsContact O-CG 3.31Å; I1192-L1196 WeakPolarHBondContact O-CG 3.3Å; I1192-L1196 PolarHBondContact O-N 3.11Å; I1192-F1670 HydrophobicContact CD1-CD2 3.55Å; I1192-F1670 HydrophobicContact CD1-CE2 3.59Å; I1192-F1670 HydrophobicContact CD1-CG 4.18Å; I1192-F1670 HydrophobicContact CD1-CZ 4.24Å
1193I88.8Confident85.3Confident93 Ų9333.3 Ų33.348%0.47718%0.177SC..Hα-helixtrans-64.1-48-179.6-67.7169.6000111.5L1189 G1190 Y1191 T1195 T1197L1189-I1193 HydrophobicContact CD1-CD1 4.24Å; L1189-I1193 HydrophobicContact CD1-CG1 4.42Å; L1189-I1193 HydrophobicContact CD2-CD1 4.46Å; L1189-I1193 HydrophobicContact CG-CD1 3.92Å; L1189-I1193 HydrophobicContact CG-CG1 4.49Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.49Å; L1189-I1193 PolarHBondContact O-N 3.44Å; G1190-I1193 PolarHBondContact O-N 3.11Å; Y1191-I1193 PolarHBondContact O-N 3.39Å; I1193-T1195 VanDerWaalsContact C-N 3.34Å; I1193-T1195 PolarHBondContact O-N 3.03Å; I1193-T1197 VanDerWaalsContact O-CB 3.29Å; I1193-T1197 WeakPolarHBondContact O-CB 3.49Å; I1193-T1197 PolarHBondContact O-N 3.15Å; I1193-T1197 PolarHBondContact O-OG1 3.18Å
1194F89.7Confident85.4Confident87 Ų8737.3 Ų37.338%0.38220%0.196SC..Hα-helixtrans-62.2-41.8178-81.2-60.6000111.9G1190 Y1191 M1198 L1225 Y1228G1190-F1194 WeakPolarHBondContact O-CD2 3.35Å; G1190-F1194 PolarHBondContact O-N 2.95Å; Y1191-F1194 PolarHBondContact O-N 3.01Å; F1194-M1198 WeakPolarHBondContact O-CB 3.44Å; F1194-M1198 WeakPolarHBondContact O-CG 3.4Å; F1194-M1198 PolarHBondContact O-N 3.5Å; F1194-L1225 HydrophobicContact CB-CD1 4.24Å; F1194-Y1228 HydrophobicContact CD2-CD1 4.42Å; F1194-Y1228 HydrophobicContact CD2-CG 4.37Å; F1194-Y1228 AromaticContact CE2-CD2 3.93Å; F1194-Y1228 HydrophobicContact CE2-CD2 3.93Å; F1194-Y1228 HydrophobicContact CE2-CE2 4.31Å; F1194-Y1228 HydrophobicContact CE2-CG 4.04Å
1195T89Confident85.4Confident4 Ų437 Ų373%0.02519%0.193CC..Hα-helixtrans-71.2-45.7-178.951.90000112.7T1176 L1177 Y1191 I1192 I1193 T1197 M1198 L1199T1176-T1195 WeakPolarHBondContact OG1-CG2 3.45Å; L1177-T1195 HydrophobicContact CB-CG2 4.3Å; L1177-T1195 VanDerWaalsContact CD1-OG1 3.28Å; L1177-T1195 WeakPolarHBondContact CD1-OG1 3.36Å; Y1191-T1195 WeakPolarHBondContact O-CB 3.46Å; Y1191-T1195 VanDerWaalsContact O-CG2 3.27Å; Y1191-T1195 WeakPolarHBondContact O-CG2 3.06Å; Y1191-T1195 PolarHBondContact O-N 3.23Å; Y1191-T1195 PolarHBondContact O-OG1 3.37Å; I1192-T1195 WeakPolarHBondContact CA-OG1 3.39Å; I1192-T1195 PolarHBondContact O-N 3Å; I1192-T1195 PolarHBondContact O-OG1 3.5Å; I1192-T1195 VanDerWaalsContact O-OG1 3.07Å; I1193-T1195 VanDerWaalsContact C-N 3.34Å; I1193-T1195 PolarHBondContact O-N 3.03Å; T1195-T1197 VanDerWaalsContact C-N 3.31Å; T1195-T1197 PolarHBondContact O-N 2.88Å; T1195-M1198 PolarHBondContact O-N 3.23Å; T1195-L1199 VanDerWaalsContact O-CB 3.23Å; T1195-L1199 WeakPolarHBondContact O-CB 3.04Å; T1195-L1199 PolarHBondContact O-N 3.34Å
1196L87.7Confident85.2Confident28 Ų2837 Ų3715%0.14719%0.193CC..Hα-helixtrans-60-40.6174.3-70.3177.4000111.7I1192 M1198 L1199 W1200 L1715I1192-L1196 HydrophobicContact CG2-CD1 3.66Å; I1192-L1196 HydrophobicContact CG2-CG 4.16Å; I1192-L1196 WeakPolarHBondContact O-CB 3.48Å; I1192-L1196 VanDerWaalsContact O-CG 3.31Å; I1192-L1196 WeakPolarHBondContact O-CG 3.3Å; I1192-L1196 PolarHBondContact O-N 3.11Å; L1196-M1198 PolarHBondContact O-N 3.35Å; L1196-L1199 PolarHBondContact O-N 3.45Å; L1196-W1200 WeakPolarHBondContact O-CB 3.38Å; L1196-W1200 PolarHBondContact O-N 3.5Å; L1196-L1715 HydrophobicContact CD2-CD2 3.96Å
1197T86.2Confident84.5Confident78 Ų7834.7 Ų34.748%0.47918%0.181SC..Hα-helixtrans-61.8-43.4175.9-580000111.9I1193 T1195 S1201I1193-T1197 VanDerWaalsContact O-CB 3.29Å; I1193-T1197 WeakPolarHBondContact O-CB 3.49Å; I1193-T1197 PolarHBondContact O-N 3.15Å; I1193-T1197 PolarHBondContact O-OG1 3.18Å; T1195-T1197 VanDerWaalsContact C-N 3.31Å; T1195-T1197 PolarHBondContact O-N 2.88Å; T1197-S1201 PolarHBondContact O-N 3.42Å
1198M87.6Confident83.5Confident14 Ų1435.2 Ų35.27%0.06918%0.184CC..Hα-helixtrans-68-42.5176.2-69.1-77.6-85.900111.3L1173 F1194 T1195 L1196 S1201 G1202 L1205 R1221 W1222L1173-M1198 HydrophobicContact CD1-CB 4.43Å; L1173-M1198 HydrophobicContact CD2-CB 3.84Å; L1173-M1198 HydrophobicContact CD2-CG 4.46Å; F1194-M1198 WeakPolarHBondContact O-CB 3.44Å; F1194-M1198 WeakPolarHBondContact O-CG 3.4Å; F1194-M1198 PolarHBondContact O-N 3.5Å; T1195-M1198 PolarHBondContact O-N 3.23Å; L1196-M1198 PolarHBondContact O-N 3.35Å; M1198-S1201 PolarHBondContact O-N 2.98Å; M1198-S1201 PolarHBondContact O-OG 3.42Å; M1198-G1202 PolarHBondContact O-N 3.46Å; M1198-L1205 HydrophobicContact CE-CD2 3.52Å; M1198-L1205 HydrophobicContact SD-CD2 3.72Å; M1198-R1221 HydrophobicContact SD-CB 4.33Å; M1198-W1222 HydrophobicContact CE-CD2 4.07Å; M1198-W1222 HydrophobicContact CE-CG 4.39Å; M1198-W1222 HydrophobicContact CE-CZ2 3.82Å
1199L85.8Confident82.5Confident7 Ų738.6 Ų38.64%0.03720%0.202CC..Hα-helixtrans-62.8-42179.1-161.275.1000112.2W1170 M1174 T1195 L1196 S1201 G1202 L1715 F1716 F1719W1170-L1199 HydrophobicContact CE3-CD1 4.03Å; W1170-L1199 HydrophobicContact CZ3-CD1 3.59Å; M1174-L1199 HydrophobicContact CE-CD1 4.42Å; T1195-L1199 VanDerWaalsContact O-CB 3.23Å; T1195-L1199 WeakPolarHBondContact O-CB 3.04Å; T1195-L1199 PolarHBondContact O-N 3.34Å; L1196-L1199 PolarHBondContact O-N 3.45Å; L1199-S1201 VanDerWaalsContact C-N 3.29Å; L1199-S1201 PolarHBondContact O-N 2.88Å; L1199-G1202 PolarHBondContact O-N 3.5Å; L1199-L1715 HydrophobicContact CD2-CD2 4.44Å; L1199-F1716 HydrophobicContact CD1-CE1 4.04Å; L1199-F1716 HydrophobicContact CD2-CE1 3.92Å; L1199-F1719 HydrophobicContact CB-CZ 4.48Å; L1199-F1719 HydrophobicContact CD2-CD1 4.33Å; L1199-F1719 HydrophobicContact CD2-CD2 3.57Å; L1199-F1719 HydrophobicContact CD2-CE1 4.27Å; L1199-F1719 HydrophobicContact CD2-CE2 3.5Å; L1199-F1719 VanDerWaalsContact CD2-CE2 3.5Å; L1199-F1719 HydrophobicContact CD2-CG 4Å; L1199-F1719 HydrophobicContact CD2-CZ 3.87Å; L1199-F1719 HydrophobicContact CG-CD1 3.98Å; L1199-F1719 HydrophobicContact CG-CD2 4.13Å; L1199-F1719 HydrophobicContact CG-CE1 3.92Å; L1199-F1719 HydrophobicContact CG-CE2 4.08Å; L1199-F1719 HydrophobicContact CG-CG 4.09Å; L1199-F1719 HydrophobicContact CG-CZ 3.97Å; L1199-F1719 WeakPolarHBondContact O-CE1 3.35Å
1200W85Confident81.1Confident121 Ų12137.6 Ų37.646%0.45820%0.199SC..Hα-helixtrans-60.8-38.3175-173.3-98.9000112.3L1196 I1659 F1719 R1722L1196-W1200 WeakPolarHBondContact O-CB 3.38Å; L1196-W1200 PolarHBondContact O-N 3.5Å; W1200-I1659 HydrophobicContact CZ3-CG2 4.22Å; W1200-F1719 HydrophobicContact CE3-CZ 4.37Å; W1200-R1722 PolarHBondContact O-NH2 3.17Å
1201S81Confident79.8Confident25 Ų2541.6 Ų41.618%0.17522%0.22CC..Hα-helixtrans-71-41.7174.880.50000112.5T1197 M1198 L1199 N1204T1197-S1201 PolarHBondContact O-N 3.42Å; M1198-S1201 PolarHBondContact O-N 2.98Å; M1198-S1201 PolarHBondContact O-OG 3.42Å; L1199-S1201 VanDerWaalsContact C-N 3.29Å; L1199-S1201 PolarHBondContact O-N 2.88Å; S1201-N1204 WeakPolarHBondContact O-CB 2.98Å; S1201-N1204 PolarHBondContact O-N 3.46Å
1202G76.4Confident78.2Confident11 Ų1146.4 Ų46.411%0.11325%0.246CC..G310 helixtrans52.7-14217700000113.3M1198 L1199 N1204 L1205M1198-G1202 PolarHBondContact O-N 3.46Å; L1199-G1202 PolarHBondContact O-N 3.5Å; G1202-N1204 PolarHBondContact O-N 2.91Å; G1202-L1205 WeakPolarHBondContact O-CB 3.23Å; G1202-L1205 PolarHBondContact O-N 3.04Å
1203N78.9Confident76.5Confident24 Ų2456.4 Ų56.413%0.12828%0.283CS..G310 helixtrans-56.4-22.2-177.8-63.310.4000114.2W1170 L1205 Y1206 V1207 Y1327 Y1723W1170-N1203 WeakPolarHBondContact CZ2-OD1 3.4Å; N1203-L1205 PolarHBondContact O-N 3.23Å; N1203-L1205 VanDerWaalsContact O-N 3.14Å; N1203-Y1206 PolarHBondContact O-N 3.13Å; N1203-Y1206 VanDerWaalsContact O-N 3.09Å; N1203-V1207 PolarHBondContact O-N 2.96Å; N1203-Y1327 HydrophobicContact CB-CD1 4.3Å; N1203-Y1723 WeakPolarHBondContact ND2-CE2 3.39Å
1204N77.4Confident75.1Confident95 Ų9553.5 Ų53.551%0.50827%0.271SS..G310 helixtrans-62.5-19.5177.1-68.2-8.4000112.6S1201 G1202 Y1206S1201-N1204 WeakPolarHBondContact O-CB 2.98Å; S1201-N1204 PolarHBondContact O-N 3.46Å; G1202-N1204 PolarHBondContact O-N 2.91Å; N1204-Y1206 VanDerWaalsContact C-N 3.3Å; N1204-Y1206 PolarHBondContact O-N 2.62Å
1205L77.4Confident74.3Confident19 Ų1950 Ų5010%0.09926%0.256CS..G310 helixtrans-68-26.9175.1-174.765.1000113.3M1198 G1202 N1203 T1218M1198-L1205 HydrophobicContact CE-CD2 3.52Å; M1198-L1205 HydrophobicContact SD-CD2 3.72Å; G1202-L1205 WeakPolarHBondContact O-CB 3.23Å; G1202-L1205 PolarHBondContact O-N 3.04Å; N1203-L1205 PolarHBondContact O-N 3.23Å; N1203-L1205 VanDerWaalsContact O-N 3.14Å; L1205-T1218 HydrophobicContact CD1-CG2 4.2Å; L1205-T1218 HydrophobicContact CD2-CG2 4.2Å; L1205-T1218 HydrophobicContact CG-CG2 3.83Å; L1205-T1218 PolarHBondContact O-OG1 3.19Å
1206Y79.6Confident73.6Confident7 Ų753.5 Ų53.53%0.02727%0.272CS..THydrogen-bonded Turntrans-97.4-17.4179.6-50.8-64.6000112.6H1169 N1203 N1204 M1208 T1218 F1315 F1320 Y1327H1169-Y1206 WeakPolarHBondContact CB-OH 2.93Å; H1169-Y1206 AromaticContact CD2-CE2 3.47Å; H1169-Y1206 VanDerWaalsContact CD2-CE2 3.47Å; H1169-Y1206 WeakPolarHBondContact CD2-CE2 3.08Å; H1169-Y1206 AromaticContact CD2-CZ 3.76Å; H1169-Y1206 PolarHBondContact CD2-OH 3.42Å; H1169-Y1206 VanDerWaalsContact CD2-OH 3.31Å; H1169-Y1206 AromaticContact CG-CE2 3.92Å; H1169-Y1206 AromaticContact CG-CZ 3.92Å; H1169-Y1206 AromaticContact NE2-CE2 3.56Å; N1203-Y1206 PolarHBondContact O-N 3.13Å; N1203-Y1206 VanDerWaalsContact O-N 3.09Å; N1204-Y1206 VanDerWaalsContact C-N 3.3Å; N1204-Y1206 PolarHBondContact O-N 2.62Å; Y1206-M1208 PolarHBondContact O-N 3.01Å; Y1206-T1218 HydrophobicContact CD1-CG2 4.36Å; Y1206-T1218 HydrophobicContact CE1-CG2 4.3Å; Y1206-F1315 AromaticContact CE1-CE1 3.93Å; Y1206-F1315 HydrophobicContact CE1-CE1 3.93Å; Y1206-F1315 AromaticContact CE1-CZ 4Å; Y1206-F1315 HydrophobicContact CE1-CZ 4Å; Y1206-F1320 AromaticContact CD1-CZ 3.88Å; Y1206-F1320 HydrophobicContact CD1-CZ 3.88Å; Y1206-F1320 HydrophobicContact CE1-CZ 4.31Å; Y1206-F1320 HydrophobicContact CG-CZ 4.47Å; Y1206-Y1327 HydrophobicContact CD2-CD2 4.32Å; Y1206-Y1327 HydrophobicContact CD2-CE2 4.02Å; Y1206-Y1327 HydrophobicContact CG-CD2 4.31Å; Y1206-Y1327 HydrophobicContact CG-CE2 4.21Å
1207V72.2Confident73.1Confident17 Ų1755.4 Ų55.410%0.10328%0.28CS..SBendtrans-75.789.9171.3-1790000108.7N1203 N1209 V1331 L1559N1203-V1207 PolarHBondContact O-N 2.96Å; V1207-N1209 PolarHBondContact O-N 3.28Å; V1207-V1331 HydrophobicContact CG2-CG2 4.08Å; V1207-L1559 HydrophobicContact CG1-CD1 4.11Å; V1207-L1559 HydrophobicContact CG1-CD2 3.61Å
1208M69Low72.8Confident32 Ų3252.4 Ų52.416%0.15826%0.261CS..  trans-51.4101.6174.6-72.6164.1154.400111.3F1138 I1140 Y1206 F1215 M1324 R1328 T1555F1138-M1208 HydrophobicContact CD1-CE 3.78Å; F1138-M1208 HydrophobicContact CE1-CE 4.12Å; I1140-M1208 HydrophobicContact CD1-CE 4.17Å; I1140-M1208 HydrophobicContact CD1-SD 3.74Å; Y1206-M1208 PolarHBondContact O-N 3.01Å; M1208-F1215 HydrophobicContact CE-CB 3.61Å; M1208-F1215 HydrophobicContact CE-CD2 3.98Å; M1208-F1215 HydrophobicContact CE-CG 4.09Å; M1208-M1324 HydrophobicContact CE-CE 3.51Å; M1208-M1324 HydrophobicContact CG-CE 3.81Å; M1208-M1324 HydrophobicContact SD-CE 3.48Å; M1208-M1324 WeakPolarHBondContact SD-CE 3.32Å; M1208-R1328 PolarHBondContact O-NH1 2.98Å; M1208-T1555 HydrophobicContact CB-CG2 4.45Å; M1208-T1555 HydrophobicContact CE-CG2 4.49Å; M1208-T1555 HydrophobicContact SD-CG2 3.43Å; M1208-T1555 WeakPolarHBondContact SD-CG2 3.15Å
1209N65.1Low72.5Confident76 Ų7652.3 Ų52.341%0.40626%0.261SS..  trans-86.3132.1175.4-166.71.8000109.7V1207 T1211 L1212 R1213V1207-N1209 PolarHBondContact O-N 3.28Å; N1209-T1211 PolarHBondContact ND2-OG1 3.17Å; N1209-T1211 PolarHBondContact O-N 3.48Å; N1209-T1211 VanDerWaalsContact O-N 3.08Å; N1209-L1212 PolarHBondContact O-N 3.36Å; N1209-R1213 PolarHBondContact O-N 3.3Å
1210S59Low72.4Confident25 Ų2557.7 Ų57.718%0.17528%0.284CS..G310 helixtrans-52.8-33.7-176.663.20000113.7L1212 R1213 K1558S1210-L1212 VanDerWaalsContact C-N 3.31Å; S1210-L1212 PolarHBondContact O-N 2.81Å; S1210-R1213 PolarHBondContact O-N 3.24Å; S1210-K1558 WeakPolarHBondContact OG-CG 3.43Å
1211T60.5Low72.5Confident98 Ų9856.5 Ų56.560%0.60128%0.279SS*.G310 helixtrans-72.2-19-179.453.90000114.3N1209N1209-T1211 PolarHBondContact ND2-OG1 3.17Å; N1209-T1211 PolarHBondContact O-N 3.48Å; N1209-T1211 VanDerWaalsContact O-N 3.08Å
1212L56.8Low73Confident104 Ų10455.3 Ų55.355%0.54527%0.271SS..G310 helixtrans-109.9-0.2177-79.1115000113.8N1209 S1210 S1214N1209-L1212 PolarHBondContact O-N 3.36Å; S1210-L1212 VanDerWaalsContact C-N 3.31Å; S1210-L1212 PolarHBondContact O-N 2.81Å; L1212-S1214 PolarHBondContact O-N 2.73Å
1213R53.1Low73.6Confident219 Ų21958 Ų5883%0.82628%0.283SS*.  trans34.812.4163.8-135.1-172.5-167.6-172.14.9121.5N1209 S1210N1209-R1213 PolarHBondContact O-N 3.3Å; S1210-R1213 PolarHBondContact O-N 3.24Å
1214S60Low74.1Confident32 Ų3259.4 Ų59.422%0.22430%0.298CS..  trans-147.6112.2-168.9175.20000112.1L1212 E1216 H1217L1212-S1214 PolarHBondContact O-N 2.73Å; S1214-E1216 PolarHBondContact O-N 2.96Å; S1214-E1216 VanDerWaalsContact OG-CA 3.29Å; S1214-E1216 WeakPolarHBondContact OG-CA 3.39Å; S1214-E1216 WeakPolarHBondContact OG-CB 3.49Å; S1214-E1216 VanDerWaalsContact OG-CD 3.28Å; S1214-E1216 WeakPolarHBondContact OG-CG 3.36Å; S1214-E1216 PolarHBondContact OG-N 3.15Å; S1214-E1216 PolarHBondContact OG-OE2 2.73Å; S1214-H1217 WeakPolarHBondContact O-CB 3.32Å; S1214-H1217 PolarHBondContact O-N 2.78Å; S1214-H1217 PolarHBondContact OG-N 2.92Å
1215F73.3Confident74.7Confident15 Ų1555.1 Ų55.17%0.06628%0.275CS..Hα-helixtrans-55.5-32.6159.8-175.6-118.2000110.9Y1133 F1138 M1208 H1217 T1218 L1219 F1315 F1320 M1324Y1133-F1215 HydrophobicContact CE2-CD1 4.39Å; F1138-F1215 HydrophobicContact CB-CB 4.09Å; F1138-F1215 HydrophobicContact CB-CD1 3.85Å; F1138-F1215 HydrophobicContact CB-CG 4.23Å; F1138-F1215 HydrophobicContact CD1-CB 4.47Å; F1138-F1215 HydrophobicContact CD1-CD1 4.32Å; F1138-F1215 HydrophobicContact CD1-CG 4.26Å; F1138-F1215 AromaticContact CD2-CD1 3.6Å; F1138-F1215 HydrophobicContact CD2-CD1 3.6Å; F1138-F1215 AromaticContact CD2-CE1 3.57Å; F1138-F1215 HydrophobicContact CD2-CE1 3.57Å; F1138-F1215 HydrophobicContact CD2-CG 4.33Å; F1138-F1215 HydrophobicContact CD2-CZ 4.28Å; F1138-F1215 HydrophobicContact CE2-CD1 4.19Å; F1138-F1215 AromaticContact CE2-CE1 3.77Å; F1138-F1215 HydrophobicContact CE2-CE1 3.77Å; F1138-F1215 HydrophobicContact CE2-CZ 4.04Å; F1138-F1215 HydrophobicContact CG-CB 4.32Å; F1138-F1215 AromaticContact CG-CD1 3.67Å; F1138-F1215 HydrophobicContact CG-CD1 3.67Å; F1138-F1215 HydrophobicContact CG-CE1 4.11Å; F1138-F1215 HydrophobicContact CG-CG 4.03Å; F1138-F1215 HydrophobicContact CZ-CE1 4.45Å; F1138-F1215 HydrophobicContact CZ-CZ 4.38Å; M1208-F1215 HydrophobicContact CE-CB 3.61Å; M1208-F1215 HydrophobicContact CE-CD2 3.98Å; M1208-F1215 HydrophobicContact CE-CG 4.09Å; F1215-H1217 PolarHBondContact O-N 3.38Å; F1215-T1218 PolarHBondContact O-N 2.78Å; F1215-T1218 VanDerWaalsContact O-N 3.08Å; F1215-L1219 PolarHBondContact O-N 2.91Å; F1215-F1315 HydrophobicContact CZ-CB 4.21Å; F1215-F1320 HydrophobicContact CE2-CE1 4.16Å; F1215-F1320 HydrophobicContact CZ-CE1 4.49Å; F1215-M1324 HydrophobicContact CD2-CE 4.24Å; F1215-M1324 HydrophobicContact CE2-CE 4.39Å; F1215-M1324 HydrophobicContact CE2-SD 4.29Å
1216E72.9Confident75.4Confident77 Ų7754.5 Ų54.536%0.3627%0.272SS..Hα-helixtrans-62.1-22.7175.5-13.3148.6109.100112.1S1214 K1220S1214-E1216 PolarHBondContact O-N 2.96Å; S1214-E1216 VanDerWaalsContact OG-CA 3.29Å; S1214-E1216 WeakPolarHBondContact OG-CA 3.39Å; S1214-E1216 WeakPolarHBondContact OG-CB 3.49Å; S1214-E1216 VanDerWaalsContact OG-CD 3.28Å; S1214-E1216 WeakPolarHBondContact OG-CG 3.36Å; S1214-E1216 PolarHBondContact OG-N 3.15Å; S1214-E1216 PolarHBondContact OG-OE2 2.73Å; E1216-K1220 WeakPolarHBondContact O-CA 3.38Å; E1216-K1220 WeakPolarHBondContact O-CB 3.21Å; E1216-K1220 VanDerWaalsContact O-CD 3.25Å; E1216-K1220 WeakPolarHBondContact O-CD 3.49Å; E1216-K1220 WeakPolarHBondContact O-CG 3.23Å; E1216-K1220 PolarHBondContact O-N 2.72Å; E1216-K1220 IonicContact OE2-NZ 3.66Å
1217H77.2Confident76Confident68 Ų6855.5 Ų55.532%0.31528%0.284SS..Hα-helixtrans-71.5-39.8172.4179.5-115.6000111.5S1214 F1215 K1220 R1221S1214-H1217 WeakPolarHBondContact O-CB 3.32Å; S1214-H1217 PolarHBondContact O-N 2.78Å; S1214-H1217 PolarHBondContact OG-N 2.92Å; F1215-H1217 PolarHBondContact O-N 3.38Å; H1217-K1220 PolarHBondContact O-N 2.92Å; H1217-R1221 PolarHBondContact CE1-NE 2.89Å; H1217-R1221 PolarHBondContact CE1-NH2 3.34Å; H1217-R1221 PolarHBondContact NE2-NE 3.17Å; H1217-R1221 WeakPolarHBondContact O-CG 3.34Å; H1217-R1221 PolarHBondContact O-N 3.27Å
1218T80.1Confident77Confident15 Ų1556.6 Ų56.69%0.09229%0.287CS..Hα-helixtrans-64.9-45.4170.5-62.90000110.4L1205 Y1206 F1215 K1220 R1221 W1222L1205-T1218 HydrophobicContact CD1-CG2 4.2Å; L1205-T1218 HydrophobicContact CD2-CG2 4.2Å; L1205-T1218 HydrophobicContact CG-CG2 3.83Å; L1205-T1218 PolarHBondContact O-OG1 3.19Å; Y1206-T1218 HydrophobicContact CD1-CG2 4.36Å; Y1206-T1218 HydrophobicContact CE1-CG2 4.3Å; F1215-T1218 PolarHBondContact O-N 2.78Å; F1215-T1218 VanDerWaalsContact O-N 3.08Å; T1218-K1220 PolarHBondContact O-N 3.45Å; T1218-R1221 PolarHBondContact O-N 3.23Å; T1218-W1222 VanDerWaalsContact O-CD1 3.25Å; T1218-W1222 PolarHBondContact O-N 3.18Å
1219L82.1Confident78.2Confident11 Ų1155.1 Ų55.16%0.05828%0.279CS..Hα-helixtrans-64.4-36.7175.8-163.167.7000112.2Y1133 F1215 R1221 W1222 N1223Y1133-L1219 HydrophobicContact CE1-CD2 4.24Å; F1215-L1219 PolarHBondContact O-N 2.91Å; L1219-R1221 VanDerWaalsContact C-N 3.35Å; L1219-R1221 PolarHBondContact O-N 3.25Å; L1219-W1222 PolarHBondContact O-N 2.96Å; L1219-N1223 VanDerWaalsContact O-CB 3.23Å; L1219-N1223 WeakPolarHBondContact O-CB 3.33Å; L1219-N1223 PolarHBondContact O-N 2.92Å; L1219-N1223 PolarHBondContact O-OD1 2.83Å
1220K84.5Confident79.5Confident120 Ų12051.7 Ų51.752%0.52226%0.261SS..Hα-helixtrans-64.2-36.6173.5-80.3160.1-1751630111.4E1216 H1217 T1218 A1224E1216-K1220 WeakPolarHBondContact O-CA 3.38Å; E1216-K1220 WeakPolarHBondContact O-CB 3.21Å; E1216-K1220 VanDerWaalsContact O-CD 3.25Å; E1216-K1220 WeakPolarHBondContact O-CD 3.49Å; E1216-K1220 WeakPolarHBondContact O-CG 3.23Å; E1216-K1220 PolarHBondContact O-N 2.72Å; E1216-K1220 IonicContact OE2-NZ 3.66Å; H1217-K1220 PolarHBondContact O-N 2.92Å; T1218-K1220 PolarHBondContact O-N 3.45Å; K1220-A1224 WeakPolarHBondContact O-CB 3.21Å; K1220-A1224 PolarHBondContact O-N 2.86Å
1221R86.8Confident81.1Confident97 Ų9755.5 Ų55.537%0.36627%0.274SS..Hα-helixtrans-67-43.3172.8-73.6176.2175.8-152.4-5.4112.3M1198 H1217 T1218 L1219 A1224 L1225M1198-R1221 HydrophobicContact SD-CB 4.33Å; H1217-R1221 PolarHBondContact CE1-NE 2.89Å; H1217-R1221 PolarHBondContact CE1-NH2 3.34Å; H1217-R1221 PolarHBondContact NE2-NE 3.17Å; H1217-R1221 WeakPolarHBondContact O-CG 3.34Å; H1217-R1221 PolarHBondContact O-N 3.27Å; T1218-R1221 PolarHBondContact O-N 3.23Å; L1219-R1221 VanDerWaalsContact C-N 3.35Å; L1219-R1221 PolarHBondContact O-N 3.25Å; R1221-A1224 PolarHBondContact O-N 3.26Å; R1221-L1225 PolarHBondContact O-N 2.81Å
1222W90Very high82.5Confident0 Ų050.8 Ų50.80%025%0.246CC..Hα-helixtrans-68.4-36.5174.7-76.9100.7000112.7T1172 L1173 M1198 T1218 L1219 L1225 L1226 L1308 Q1311 F1315T1172-W1222 VanDerWaalsContact OG1-CH2 3.29Å; T1172-W1222 WeakPolarHBondContact OG1-CH2 3.44Å; L1173-W1222 HydrophobicContact CD2-CH2 3.91Å; L1173-W1222 HydrophobicContact CD2-CZ2 4.4Å; L1173-W1222 HydrophobicContact CG-CH2 4.07Å; M1198-W1222 HydrophobicContact CE-CD2 4.07Å; M1198-W1222 HydrophobicContact CE-CG 4.39Å; M1198-W1222 HydrophobicContact CE-CZ2 3.82Å; T1218-W1222 VanDerWaalsContact O-CD1 3.25Å; T1218-W1222 PolarHBondContact O-N 3.18Å; L1219-W1222 PolarHBondContact O-N 2.96Å; W1222-L1225 HydrophobicContact CE3-CD2 4.19Å; W1222-L1225 HydrophobicContact CZ3-CD2 4.15Å; W1222-L1225 PolarHBondContact O-N 3.46Å; W1222-L1226 PolarHBondContact O-N 2.84Å; W1222-L1308 HydrophobicContact CE3-CD2 3.7Å; W1222-L1308 HydrophobicContact CZ3-CD2 3.71Å; W1222-Q1311 HydrophobicContact CZ3-CG 4.43Å; W1222-F1315 HydrophobicContact CB-CE2 4.47Å; W1222-F1315 AromaticContact CD1-CE2 3.61Å; W1222-F1315 AromaticContact CD2-CE2 3.78Å; W1222-F1315 HydrophobicContact CD2-CE2 3.78Å; W1222-F1315 HydrophobicContact CD2-CZ 4.28Å; W1222-F1315 AromaticContact CE2-CE2 3.77Å; W1222-F1315 AromaticContact CE2-CZ 3.79Å; W1222-F1315 HydrophobicContact CE3-CE2 4.49Å; W1222-F1315 AromaticContact CG-CE2 3.72Å; W1222-F1315 HydrophobicContact CG-CE2 3.72Å; W1222-F1315 HydrophobicContact CG-CZ 4.47Å; W1222-F1315 HydrophobicContact CZ2-CE2 4.49Å; W1222-F1315 HydrophobicContact CZ2-CZ 4.18Å; W1222-F1315 AromaticContact NE1-CE2 3.66Å; W1222-F1315 AromaticContact NE1-CZ 3.65Å
1223N89.1Confident84.2Confident68 Ų6846 Ų4636%0.36422%0.221SC..Hα-helixtrans-72.8-28.8174.3-70.5-2.5000112.2L1219 G1227L1219-N1223 VanDerWaalsContact O-CB 3.23Å; L1219-N1223 WeakPolarHBondContact O-CB 3.33Å; L1219-N1223 PolarHBondContact O-N 2.92Å; L1219-N1223 PolarHBondContact O-OD1 2.83Å; N1223-G1227 PolarHBondContact O-N 2.9Å
1224A89.8Confident86.1Confident53 Ų5337.4 Ų37.444%0.43819%0.192SC..Hα-helixtrans-68.6-37.7169.500000111.2K1220 R1221 G1227 Y1228K1220-A1224 WeakPolarHBondContact O-CB 3.21Å; K1220-A1224 PolarHBondContact O-N 2.86Å; R1221-A1224 PolarHBondContact O-N 3.26Å; A1224-G1227 PolarHBondContact O-N 3.3Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.46Å; A1224-Y1228 PolarHBondContact O-N 3.19Å
1225L91.3Very high87.5Confident4 Ų438.9 Ų38.92%0.02120%0.197CC..Hα-helixtrans-68.2-42.6172.9-175.257.2000112.1T1176 Y1191 F1194 R1221 W1222 Y1228 T1229 L1308T1176-L1225 HydrophobicContact CG2-CD2 4.22Å; Y1191-L1225 HydrophobicContact CD1-CD1 4.47Å; F1194-L1225 HydrophobicContact CB-CD1 4.24Å; R1221-L1225 PolarHBondContact O-N 2.81Å; W1222-L1225 HydrophobicContact CE3-CD2 4.19Å; W1222-L1225 HydrophobicContact CZ3-CD2 4.15Å; W1222-L1225 PolarHBondContact O-N 3.46Å; L1225-Y1228 WeakPolarHBondContact O-CB 3.44Å; L1225-Y1228 PolarHBondContact O-N 2.87Å; L1225-T1229 PolarHBondContact O-N 3.44Å; L1225-T1229 PolarHBondContact O-OG1 2.89Å; L1225-L1308 HydrophobicContact CD2-CD2 3.96Å; L1225-L1308 HydrophobicContact CG-CD1 4.32Å; L1225-L1308 HydrophobicContact CG-CD2 4.1Å
1226L92Very high88.3Confident7 Ų739.3 Ų39.34%0.03720%0.198CC..Hα-helixtrans-60.8-45.5170.8177.367.7000111.5W1222 Y1228 T1229 L1230 L1305 L1308 V1309 I1312W1222-L1226 PolarHBondContact O-N 2.84Å; L1226-Y1228 VanDerWaalsContact C-N 3.3Å; L1226-Y1228 PolarHBondContact O-N 3.03Å; L1226-T1229 PolarHBondContact O-N 3.16Å; L1226-L1230 HydrophobicContact CD1-CD1 4.3Å; L1226-L1230 HydrophobicContact CD1-CG 4.38Å; L1226-L1230 HydrophobicContact CG-CD1 4Å; L1226-L1230 HydrophobicContact CG-CG 4.48Å; L1226-L1230 WeakPolarHBondContact O-CB 3.37Å; L1226-L1230 WeakPolarHBondContact O-CG 3.44Å; L1226-L1230 PolarHBondContact O-N 3.06Å; L1226-L1305 HydrophobicContact CD1-CD1 3.54Å; L1226-L1308 HydrophobicContact CD1-CB 4.21Å; L1226-V1309 HydrophobicContact CD1-CG2 4.49Å; L1226-I1312 HydrophobicContact CB-CD1 4.28Å; L1226-I1312 HydrophobicContact CD2-CD1 3.7Å; L1226-I1312 HydrophobicContact CG-CD1 4.45Å
1227G91.6Very high89.1Confident28 Ų2835.8 Ų35.829%0.28918%0.182SC..Hα-helixtrans-61.8-37.7176.500000112.2N1223 A1224 F1231N1223-G1227 PolarHBondContact O-N 2.9Å; A1224-G1227 PolarHBondContact O-N 3.3Å; G1227-F1231 WeakPolarHBondContact O-CB 3.36Å; G1227-F1231 PolarHBondContact O-N 3.06Å
1228Y93Very high89.7Confident40 Ų4034.8 Ų34.816%0.15718%0.182CC..Hα-helixtrans-63.6-47.6172.4-175-100.9000111.6F1187 G1190 Y1191 F1194 A1224 L1225 L1226 L1230 F1231 T1232F1187-Y1228 WeakPolarHBondContact CA-OH 3.17Å; F1187-Y1228 PolarHBondContact O-OH 2.69Å; G1190-Y1228 WeakPolarHBondContact CA-OH 3.5Å; Y1191-Y1228 AromaticContact CD1-CD1 3.96Å; Y1191-Y1228 HydrophobicContact CD1-CD1 3.96Å; Y1191-Y1228 AromaticContact CD1-CE1 3.85Å; Y1191-Y1228 HydrophobicContact CD1-CE1 3.85Å; Y1191-Y1228 HydrophobicContact CD2-CE1 4.15Å; Y1191-Y1228 AromaticContact CE1-CD1 3.72Å; Y1191-Y1228 HydrophobicContact CE1-CD1 3.72Å; Y1191-Y1228 AromaticContact CE1-CE1 3.87Å; Y1191-Y1228 HydrophobicContact CE1-CE1 3.87Å; Y1191-Y1228 HydrophobicContact CE2-CE1 4.18Å; Y1191-Y1228 AromaticContact CG-CE1 4Å; Y1191-Y1228 HydrophobicContact CG-CE1 4Å; F1194-Y1228 HydrophobicContact CD2-CD1 4.42Å; F1194-Y1228 HydrophobicContact CD2-CG 4.37Å; F1194-Y1228 AromaticContact CE2-CD2 3.93Å; F1194-Y1228 HydrophobicContact CE2-CD2 3.93Å; F1194-Y1228 HydrophobicContact CE2-CE2 4.31Å; F1194-Y1228 HydrophobicContact CE2-CG 4.04Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.46Å; A1224-Y1228 PolarHBondContact O-N 3.19Å; L1225-Y1228 WeakPolarHBondContact O-CB 3.44Å; L1225-Y1228 PolarHBondContact O-N 2.87Å; L1226-Y1228 VanDerWaalsContact C-N 3.3Å; L1226-Y1228 PolarHBondContact O-N 3.03Å; Y1228-L1230 PolarHBondContact O-N 3.03Å; Y1228-F1231 CarbonylContact O-C 3.4Å; Y1228-F1231 WeakPolarHBondContact O-CB 3.43Å; Y1228-F1231 PolarHBondContact O-N 3.36Å; Y1228-T1232 HydrophobicContact CD1-CG2 4.15Å; Y1228-T1232 HydrophobicContact CE1-CG2 3.73Å; Y1228-T1232 HydrophobicContact CE2-CG2 4.34Å; Y1228-T1232 WeakPolarHBondContact O-CG2 3.42Å; Y1228-T1232 PolarHBondContact O-N 3.18Å; Y1228-T1232 PolarHBondContact O-OG1 3.31Å
1229T93.2Very high90.1Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-63.9-38.8175.9-64.70000113Y1191 L1225 L1226 F1231 T1232 I1233 D1301 L1305Y1191-T1229 WeakPolarHBondContact CE1-OG1 3.14Å; Y1191-T1229 PolarHBondContact OH-OG1 3.26Å; Y1191-T1229 VanDerWaalsContact OH-OG1 3.05Å; L1225-T1229 PolarHBondContact O-N 3.44Å; L1225-T1229 PolarHBondContact O-OG1 2.89Å; L1226-T1229 PolarHBondContact O-N 3.16Å; T1229-F1231 VanDerWaalsContact C-N 3.32Å; T1229-T1232 WeakPolarHBondContact CA-OG1 3.33Å; T1229-T1232 PolarHBondContact O-N 2.83Å; T1229-T1232 PolarHBondContact O-OG1 2.87Å; T1229-I1233 HydrophobicContact CG2-CD1 4.02Å; T1229-I1233 VanDerWaalsContact O-CG1 3.27Å; T1229-I1233 WeakPolarHBondContact O-CG1 3.32Å; T1229-I1233 PolarHBondContact O-N 2.94Å; T1229-D1301 WeakPolarHBondContact CG2-O 3.45Å; T1229-L1305 HydrophobicContact CG2-CB 4.01Å
1230L93.3Very high90.4Very high5 Ų536 Ų363%0.02619%0.187CC..Hα-helixtrans-66.5-36.4173.8-71.2170.7000111.6L1026 V1027 A1030 L1031 L1226 Y1228 T1234 L1305L1026-L1230 HydrophobicContact CD2-CD2 4.36Å; L1026-L1230 HydrophobicContact CG-CD2 4.22Å; V1027-L1230 HydrophobicContact CG2-CB 4.3Å; V1027-L1230 HydrophobicContact CG2-CD2 4.46Å; A1030-L1230 HydrophobicContact CB-CD1 3.85Å; A1030-L1230 HydrophobicContact CB-CD2 4.48Å; L1031-L1230 HydrophobicContact CD2-CD1 3.95Å; L1031-L1230 HydrophobicContact CG-CD1 4.16Å; L1226-L1230 HydrophobicContact CD1-CD1 4.3Å; L1226-L1230 HydrophobicContact CD1-CG 4.38Å; L1226-L1230 HydrophobicContact CG-CD1 4Å; L1226-L1230 HydrophobicContact CG-CG 4.48Å; L1226-L1230 WeakPolarHBondContact O-CB 3.37Å; L1226-L1230 WeakPolarHBondContact O-CG 3.44Å; L1226-L1230 PolarHBondContact O-N 3.06Å; Y1228-L1230 PolarHBondContact O-N 3.03Å; L1230-T1234 WeakPolarHBondContact O-CB 3.48Å; L1230-T1234 PolarHBondContact O-N 3.36Å; L1230-T1234 PolarHBondContact O-OG1 2.98Å; L1230-L1305 HydrophobicContact CD2-CD1 3.9Å; L1230-L1305 HydrophobicContact CG-CD1 4.35Å
1231F92.2Very high90.2Very high104 Ų10432.7 Ų32.746%0.45618%0.175SC..Hα-helixtrans-67.7-43.9173.9175.2-100.7000112.2G1227 Y1228 T1229 T1234 M1235G1227-F1231 WeakPolarHBondContact O-CB 3.36Å; G1227-F1231 PolarHBondContact O-N 3.06Å; Y1228-F1231 CarbonylContact O-C 3.4Å; Y1228-F1231 WeakPolarHBondContact O-CB 3.43Å; Y1228-F1231 PolarHBondContact O-N 3.36Å; T1229-F1231 VanDerWaalsContact C-N 3.32Å; F1231-T1234 PolarHBondContact O-N 3.29Å; F1231-M1235 HydrophobicContact CD1-CG 4.22Å; F1231-M1235 HydrophobicContact CD2-CG 3.86Å; F1231-M1235 HydrophobicContact CE1-CG 3.87Å; F1231-M1235 HydrophobicContact CE2-CE 4.22Å; F1231-M1235 HydrophobicContact CE2-CG 3.47Å; F1231-M1235 VanDerWaalsContact CE2-CG 3.47Å; F1231-M1235 HydrophobicContact CE2-SD 3.89Å; F1231-M1235 HydrophobicContact CG-CG 4.22Å; F1231-M1235 HydrophobicContact CZ-CG 3.48Å; F1231-M1235 VanDerWaalsContact CZ-CG 3.48Å; F1231-M1235 HydrophobicContact CZ-SD 4.05Å; F1231-M1235 VanDerWaalsContact O-CB 3.29Å; F1231-M1235 WeakPolarHBondContact O-CB 3.43Å; F1231-M1235 VanDerWaalsContact O-CG 3.28Å; F1231-M1235 WeakPolarHBondContact O-CG 3.39Å; F1231-M1235 PolarHBondContact O-N 2.9Å
1232T91.1Very high90.1Very high0 Ų033.8 Ų33.80%018%0.183CC..Hα-helixtrans-64.4-42.2177.1580000111.7F1187 Y1191 Y1228 T1229 K1236 D1301F1187-T1232 HydrophobicContact CB-CG2 4.13Å; F1187-T1232 HydrophobicContact CD1-CG2 3.94Å; F1187-T1232 HydrophobicContact CG-CG2 4.31Å; Y1191-T1232 PolarHBondContact OH-OG1 2.73Å; Y1228-T1232 HydrophobicContact CD1-CG2 4.15Å; Y1228-T1232 HydrophobicContact CE1-CG2 3.73Å; Y1228-T1232 HydrophobicContact CE2-CG2 4.34Å; Y1228-T1232 WeakPolarHBondContact O-CG2 3.42Å; Y1228-T1232 PolarHBondContact O-N 3.18Å; Y1228-T1232 PolarHBondContact O-OG1 3.31Å; T1229-T1232 WeakPolarHBondContact CA-OG1 3.33Å; T1229-T1232 PolarHBondContact O-N 2.83Å; T1229-T1232 PolarHBondContact O-OG1 2.87Å; T1232-K1236 VanDerWaalsContact O-CB 3.28Å; T1232-K1236 WeakPolarHBondContact O-CB 3.27Å; T1232-K1236 WeakPolarHBondContact O-CG 3.37Å; T1232-K1236 PolarHBondContact O-N 3.38Å; T1232-D1301 PolarHBondContact OG1-OD1 2.99Å; T1232-D1301 VanDerWaalsContact OG1-OD1 3.07Å
1233I92Very high89.6Confident4 Ų433.8 Ų33.82%0.02118%0.183CC..Hα-helixtrans-59.8-52.4174-68.1167.5000110.2I1011 T1229 M1235 K1236 V1237 I1298 D1301 V1302 L1305I1011-I1233 HydrophobicContact CG2-CG2 4.38Å; T1229-I1233 HydrophobicContact CG2-CD1 4.02Å; T1229-I1233 VanDerWaalsContact O-CG1 3.27Å; T1229-I1233 WeakPolarHBondContact O-CG1 3.32Å; T1229-I1233 PolarHBondContact O-N 2.94Å; I1233-M1235 PolarHBondContact O-N 3.48Å; I1233-K1236 PolarHBondContact O-N 3.22Å; I1233-V1237 WeakPolarHBondContact O-CG2 3.45Å; I1233-V1237 PolarHBondContact O-N 3.47Å; I1233-I1298 HydrophobicContact CG2-CD1 4.18Å; I1233-D1301 HydrophobicContact CD1-CB 4.08Å; I1233-D1301 HydrophobicContact CG1-CB 3.61Å; I1233-V1302 HydrophobicContact CD1-CG2 4.4Å; I1233-L1305 HydrophobicContact CD1-CB 4.41Å; I1233-L1305 HydrophobicContact CD1-CD2 4.09Å
1234T91.9Very high89.5Confident37 Ų3730.7 Ų30.723%0.22717%0.166CC..Hα-helixtrans-61.2-45.7-178.2-53.40000111.4L1230 F1231 V1237 C1238L1230-T1234 WeakPolarHBondContact O-CB 3.48Å; L1230-T1234 PolarHBondContact O-N 3.36Å; L1230-T1234 PolarHBondContact O-OG1 2.98Å; F1231-T1234 PolarHBondContact O-N 3.29Å; T1234-V1237 PolarHBondContact O-N 2.87Å; T1234-C1238 WeakPolarHBondContact O-CB 3.38Å; T1234-C1238 PolarHBondContact O-N 2.72Å; T1234-C1238 PolarHBondContact O-SG 3.13Å
1235M90.1Very high89.1Confident64 Ų6428.3 Ų28.332%0.31515%0.146SC..Hα-helixtrans-66-42.1178.3-72.3-65.9103.700112.5F1187 F1231 I1233 V1237 C1238 L1239F1187-M1235 HydrophobicContact CZ-CB 4.39Å; F1231-M1235 HydrophobicContact CD1-CG 4.22Å; F1231-M1235 HydrophobicContact CD2-CG 3.86Å; F1231-M1235 HydrophobicContact CE1-CG 3.87Å; F1231-M1235 HydrophobicContact CE2-CE 4.22Å; F1231-M1235 HydrophobicContact CE2-CG 3.47Å; F1231-M1235 VanDerWaalsContact CE2-CG 3.47Å; F1231-M1235 HydrophobicContact CE2-SD 3.89Å; F1231-M1235 HydrophobicContact CG-CG 4.22Å; F1231-M1235 HydrophobicContact CZ-CG 3.48Å; F1231-M1235 VanDerWaalsContact CZ-CG 3.48Å; F1231-M1235 HydrophobicContact CZ-SD 4.05Å; F1231-M1235 VanDerWaalsContact O-CB 3.29Å; F1231-M1235 WeakPolarHBondContact O-CB 3.43Å; F1231-M1235 VanDerWaalsContact O-CG 3.28Å; F1231-M1235 WeakPolarHBondContact O-CG 3.39Å; F1231-M1235 PolarHBondContact O-N 2.9Å; I1233-M1235 PolarHBondContact O-N 3.48Å; M1235-V1237 PolarHBondContact O-N 2.82Å; M1235-C1238 PolarHBondContact O-N 3.17Å; M1235-L1239 VanDerWaalsContact O-CB 3.27Å; M1235-L1239 WeakPolarHBondContact O-CB 3.45Å; M1235-L1239 WeakPolarHBondContact O-CG 3.38Å; M1235-L1239 PolarHBondContact O-N 3.33Å
1236K90.4Very high88.7Confident24 Ų2431.3 Ų31.310%0.10416%0.16CC..Hα-helixtrans-61.8-43176.1-80.4-179170.1-176.80111.7T1232 I1233 L1239 Q1240 E1295 N1297 I1298 D1301T1232-K1236 VanDerWaalsContact O-CB 3.28Å; T1232-K1236 WeakPolarHBondContact O-CB 3.27Å; T1232-K1236 WeakPolarHBondContact O-CG 3.37Å; T1232-K1236 PolarHBondContact O-N 3.38Å; I1233-K1236 PolarHBondContact O-N 3.22Å; K1236-L1239 PolarHBondContact O-N 2.96Å; K1236-Q1240 PolarHBondContact O-N 3.12Å; K1236-Q1240 VanDerWaalsContact O-N 3.12Å; K1236-E1295 WeakPolarHBondContact CE-O 3.2Å; K1236-E1295 PolarHBondContact NZ-O 3.04Å; K1236-N1297 PolarHBondContact NZ-O 3.14Å; K1236-I1298 HydrophobicContact CB-CG2 3.61Å; K1236-I1298 HydrophobicContact CD-CG2 3.62Å; K1236-I1298 HydrophobicContact CG-CG2 4.28Å; K1236-D1301 IonicContact NZ-OD2 3.72Å; K1236-D1301 PolarHBondContact NZ-OD2 2.97Å
1237V90.3Very high88.1Confident2 Ų232.1 Ų32.11%0.01216%0.164CC..Hα-helixtrans-64.4-44175.8174.80000111.1I1011 M1015 A1020 I1233 T1234 M1235 L1239 Q1240 I1298I1011-V1237 HydrophobicContact CG2-CG2 3.93Å; M1015-V1237 HydrophobicContact SD-CG2 3.89Å; A1020-V1237 HydrophobicContact CB-CG1 4.13Å; I1233-V1237 WeakPolarHBondContact O-CG2 3.45Å; I1233-V1237 PolarHBondContact O-N 3.47Å; T1234-V1237 PolarHBondContact O-N 2.87Å; M1235-V1237 PolarHBondContact O-N 2.82Å; V1237-L1239 PolarHBondContact O-N 3.22Å; V1237-Q1240 WeakPolarHBondContact O-CB 3.19Å; V1237-Q1240 PolarHBondContact O-N 3.17Å; V1237-I1298 HydrophobicContact CG2-CD1 4.33Å
1238C89.1Confident87.5Confident47 Ų4734.3 Ų34.332%0.31817%0.174SC..Hα-helixtrans-63.7-38.9174.4-67.20000112.7T1234 M1235 Q1240 I1241 F1242T1234-C1238 WeakPolarHBondContact O-CB 3.38Å; T1234-C1238 PolarHBondContact O-N 2.72Å; T1234-C1238 PolarHBondContact O-SG 3.13Å; M1235-C1238 PolarHBondContact O-N 3.17Å; C1238-Q1240 VanDerWaalsContact C-N 3.26Å; C1238-Q1240 PolarHBondContact O-N 3.49Å; C1238-I1241 PolarHBondContact O-N 3.08Å; C1238-F1242 WeakPolarHBondContact O-CD2 3.48Å
1239L88Confident86.9Confident44 Ų4440.1 Ų40.123%0.2320%0.196CC..Hα-helixtrans-69.1-19178.1-75.1170.9000113.3F1187 M1235 K1236 V1237 F1242 G1243F1187-L1239 HydrophobicContact CE2-CD1 4.21Å; F1187-L1239 HydrophobicContact CZ-CD1 4.18Å; M1235-L1239 VanDerWaalsContact O-CB 3.27Å; M1235-L1239 WeakPolarHBondContact O-CB 3.45Å; M1235-L1239 WeakPolarHBondContact O-CG 3.38Å; M1235-L1239 PolarHBondContact O-N 3.33Å; K1236-L1239 PolarHBondContact O-N 2.96Å; V1237-L1239 PolarHBondContact O-N 3.22Å; L1239-F1242 PolarHBondContact O-N 3.07Å; L1239-G1243 PolarHBondContact O-N 3.32Å
1240Q87.7Confident86.3Confident7 Ų740.9 Ų40.93%0.03320%0.2CC..Hα-helixtrans-63.6-40.6170.8-74.5-55.4-53.600112.2M1015 K1236 V1237 C1238 F1242 G1243 C1244 T1270M1015-Q1240 HydrophobicContact CE-CG 3.92Å; K1236-Q1240 PolarHBondContact O-N 3.12Å; K1236-Q1240 VanDerWaalsContact O-N 3.12Å; V1237-Q1240 WeakPolarHBondContact O-CB 3.19Å; V1237-Q1240 PolarHBondContact O-N 3.17Å; C1238-Q1240 VanDerWaalsContact C-N 3.26Å; C1238-Q1240 PolarHBondContact O-N 3.49Å; Q1240-F1242 VanDerWaalsContact C-N 3.27Å; Q1240-F1242 PolarHBondContact O-N 3.36Å; Q1240-G1243 PolarHBondContact O-N 3.26Å; Q1240-C1244 WeakPolarHBondContact O-CB 3.33Å; Q1240-C1244 PolarHBondContact O-N 2.83Å; Q1240-C1244 PolarHBondContact O-SG 3.25Å; Q1240-C1244 VanDerWaalsContact O-SG 3.34Å; Q1240-T1270 PolarHBondContact NE2-O 3.14Å
1241I81.7Confident85.6Confident52 Ų5244.7 Ų44.727%0.26722%0.22SC..Hα-helixtrans-60.8-41176-58.4173.4000110.1C1238 V1245C1238-I1241 PolarHBondContact O-N 3.08Å; I1241-V1245 WeakPolarHBondContact O-CB 3.45Å; I1241-V1245 PolarHBondContact O-N 3.46Å
1242F83.6Confident84.7Confident119 Ų11944.1 Ų44.152%0.52222%0.219SC..Hα-helixtrans-68.1-42.7174-72.9-79.6000113.1C1238 L1239 Q1240 F1246C1238-F1242 WeakPolarHBondContact O-CD2 3.48Å; L1239-F1242 PolarHBondContact O-N 3.07Å; Q1240-F1242 VanDerWaalsContact C-N 3.27Å; Q1240-F1242 PolarHBondContact O-N 3.36Å; F1242-F1246 HydrophobicContact CD1-CD2 4.19Å; F1242-F1246 CarbonylContact O-C 3.59Å; F1242-F1246 WeakPolarHBondContact O-CA 3.33Å; F1242-F1246 WeakPolarHBondContact O-CB 3.39Å; F1242-F1246 PolarHBondContact O-N 2.82Å
1243G81Confident83.7Confident1 Ų149.8 Ų49.81%0.0126%0.259CS..Hα-helixtrans-73-31.2-176.400000115.1L1239 Q1240L1239-G1243 PolarHBondContact O-N 3.32Å; Q1240-G1243 PolarHBondContact O-N 3.26Å
1244C85.3Confident82.9Confident2 Ų252.2 Ų52.21%0.01428%0.284CS..Hα-helixtrans-89.6-23-179.7-600000114N1086 L1090 Q1240 C1271N1086-C1244 PolarHBondContact ND2-O 3.19Å; L1090-C1244 HydrophobicContact CD1-CB 3.9Å; Q1240-C1244 WeakPolarHBondContact O-CB 3.33Å; Q1240-C1244 PolarHBondContact O-N 2.83Å; Q1240-C1244 PolarHBondContact O-SG 3.25Å; Q1240-C1244 VanDerWaalsContact O-SG 3.34Å; C1244-C1271 HydrophobicContact CB-CB 3.9Å; C1244-C1271 WeakPolarHBondContact CB-SG 3.33Å; C1244-C1271 WeakPolarHBondContact SG-CA 3.42Å; C1244-C1271 WeakPolarHBondContact SG-CB 3.26Å; C1244-C1271 CovalentContact SG-SG 2.04Å; C1244-C1271 PolarHBondContact SG-SG 3.21Å
1245V82.2Confident82.2Confident3 Ų353.2 Ų53.22%0.01830%0.302CS..Hα-helixtrans-114.3-38.9-175.4-176.10000112.8A1083 N1086 L1087 L1090 I1241A1083-V1245 HydrophobicContact CB-CG1 4.5Å; N1086-V1245 HydrophobicContact CB-CG2 4.22Å; L1087-V1245 HydrophobicContact CB-CG1 4.47Å; L1087-V1245 HydrophobicContact CB-CG2 4.23Å; L1087-V1245 HydrophobicContact CD1-CG2 4.46Å; L1090-V1245 HydrophobicContact CD1-CG2 4.14Å; I1241-V1245 WeakPolarHBondContact O-CB 3.45Å; I1241-V1245 PolarHBondContact O-N 3.46Å
1246F82.5Confident81.7Confident68 Ų6859.2 Ų59.230%0.29832%0.321SS..SBendtrans-10919.3-169.5-61.5-83.6000114Y1079 F1242 S1248 W1249Y1079-F1246 HydrophobicContact CE1-CD1 4.48Å; Y1079-F1246 AromaticContact CE1-CE1 3.78Å; Y1079-F1246 HydrophobicContact CE1-CE1 3.78Å; Y1079-F1246 HydrophobicContact CE1-CZ 4.42Å; F1242-F1246 HydrophobicContact CD1-CD2 4.19Å; F1242-F1246 CarbonylContact O-C 3.59Å; F1242-F1246 WeakPolarHBondContact O-CA 3.33Å; F1242-F1246 WeakPolarHBondContact O-CB 3.39Å; F1242-F1246 PolarHBondContact O-N 2.82Å; F1246-S1248 PolarHBondContact O-N 3.27Å; F1246-W1249 WeakPolarHBondContact O-CB 3.4Å; F1246-W1249 PolarHBondContact O-N 3.06Å; F1246-W1249 VanDerWaalsContact O-N 3.13Å
1247L80Confident81.2Confident24 Ų2458.5 Ų58.513%0.12632%0.321CS..G310 helixtrans-59.6-30.4-177.8-167.766.3000113.2W1249 F1250 L1279L1247-W1249 PolarHBondContact O-N 3.2Å; L1247-W1249 VanDerWaalsContact O-N 3.14Å; L1247-F1250 PolarHBondContact O-N 2.95Å; L1247-F1250 VanDerWaalsContact O-N 3.14Å; L1247-L1279 HydrophobicContact CB-CD1 3.78Å
1248S78.9Confident80.6Confident73 Ų7366 Ų6651%0.5135%0.353SS..G310 helixtrans-56.9-24.5176.654.90000114.1F1246 F1250 D1251F1246-S1248 PolarHBondContact O-N 3.27Å; S1248-F1250 VanDerWaalsContact C-N 3.25Å; S1248-F1250 PolarHBondContact O-N 3.38Å; S1248-D1251 PolarHBondContact O-N 3.47Å
1249W80.8Confident80.4Confident163 Ų16367.1 Ų67.162%0.61736%0.359SS*.G310 helixtrans-70.1-19.8179.5-171.469.5000113.8F1246 L1247 L1260F1246-W1249 WeakPolarHBondContact O-CB 3.4Å; F1246-W1249 PolarHBondContact O-N 3.06Å; F1246-W1249 VanDerWaalsContact O-N 3.13Å; L1247-W1249 PolarHBondContact O-N 3.2Å; L1247-W1249 VanDerWaalsContact O-N 3.14Å; W1249-L1260 HydrophobicContact CZ3-CD2 4.39Å
1250F80Confident80.2Confident15 Ų1565.7 Ų65.77%0.06635%0.351CS..G310 helixtrans-86.2-15.8179.5-67.2-86.6000113.9L1247 S1248 Q1252 L1260 V1263 R1264 I1269 F1285L1247-F1250 PolarHBondContact O-N 2.95Å; L1247-F1250 VanDerWaalsContact O-N 3.14Å; S1248-F1250 VanDerWaalsContact C-N 3.25Å; S1248-F1250 PolarHBondContact O-N 3.38Å; F1250-Q1252 VanDerWaalsContact C-N 3.3Å; F1250-Q1252 PolarHBondContact O-N 3.19Å; F1250-Q1252 VanDerWaalsContact O-N 3.09Å; F1250-L1260 HydrophobicContact CD1-CB 4.31Å; F1250-L1260 HydrophobicContact CD1-CD2 4.25Å; F1250-V1263 HydrophobicContact CE1-CG1 4.27Å; F1250-R1264 HydrophobicContact CD1-CB 4.28Å; F1250-I1269 HydrophobicContact CE1-CD1 4.01Å; F1250-I1269 HydrophobicContact CE2-CD1 4.36Å; F1250-I1269 HydrophobicContact CE2-CG2 4.27Å; F1250-I1269 HydrophobicContact CZ-CD1 3.55Å; F1250-I1269 HydrophobicContact CZ-CG2 4.47Å; F1250-F1285 HydrophobicContact CB-CE1 3.85Å; F1250-F1285 HydrophobicContact CB-CZ 3.73Å; F1250-F1285 VanDerWaalsContact O-CZ 3.3Å; F1250-F1285 WeakPolarHBondContact O-CZ 3.49Å
1251D77.8Confident80Confident85 Ų8566.5 Ų66.546%0.45536%0.358SS..  trans-87.465.5-178.3-168.921.4000111.9S1248 L1282 F1285S1248-D1251 PolarHBondContact O-N 3.47Å; D1251-L1282 HydrophobicContact CB-CD2 3.6Å; D1251-F1285 HydrophobicContact CB-CB 4.28Å; D1251-F1285 HydrophobicContact CB-CD1 4.02Å; D1251-F1285 HydrophobicContact CB-CD2 3.79Å; D1251-F1285 HydrophobicContact CB-CE1 4.3Å; D1251-F1285 HydrophobicContact CB-CE2 4.1Å; D1251-F1285 HydrophobicContact CB-CG 3.76Å; D1251-F1285 HydrophobicContact CB-CZ 4.35Å; D1251-F1285 WeakPolarHBondContact OD1-CD2 3.36Å
1252Q74.1Confident80.1Confident92 Ų9267.6 Ų67.643%0.4336%0.363SS..  trans-100.1144.9168.8-63.5-169-8.700110.3F1250 G1257 L1260F1250-Q1252 VanDerWaalsContact C-N 3.3Å; F1250-Q1252 PolarHBondContact O-N 3.19Å; F1250-Q1252 VanDerWaalsContact O-N 3.09Å; Q1252-G1257 WeakPolarHBondContact O-CA 3.4Å; Q1252-L1260 HydrophobicContact CB-CD1 4.03Å; Q1252-L1260 HydrophobicContact CG-CD1 3.93Å
1253S70.1Confident80.3Confident120 Ų12064.6 Ų64.684%0.83935%0.354SS*.  trans-87.1157.3174.659.90000112.4
1254G74.9Confident80.5Confident54 Ų5465 Ų6556%0.55736%0.356SS*.SBendtrans90.6-159176.900000115.2W1256 G1257 K1258G1254-W1256 PolarHBondContact O-N 3.04Å; G1254-G1257 PolarHBondContact O-N 3.48Å; G1254-K1258 PolarHBondContact O-N 3.36Å
1255G77.2Confident80.4Confident59 Ų5965.9 Ų65.961%0.60836%0.36SS*.Hα-helixtrans-63.3-40.4-175.500000113.4G1257 K1258 T1259G1255-G1257 VanDerWaalsContact C-N 3.32Å; G1255-G1257 PolarHBondContact O-N 2.72Å; G1255-K1258 PolarHBondContact O-N 3.16Å; G1255-T1259 PolarHBondContact O-N 3.5Å
1256W80Confident80.5Confident189 Ų18968.2 Ų68.272%0.71637%0.372SS*.Hα-helixtrans-63-37.8173.1-90.482.8000112.2G1254 K1258 T1259 L1260G1254-W1256 PolarHBondContact O-N 3.04Å; W1256-K1258 PolarHBondContact O-N 2.79Å; W1256-T1259 WeakPolarHBondContact CA-OG1 3.43Å; W1256-T1259 PolarHBondContact O-N 3.05Å; W1256-T1259 VanDerWaalsContact O-N 3.13Å; W1256-T1259 PolarHBondContact O-OG1 3.03Å; W1256-L1260 WeakPolarHBondContact O-CG 3.07Å; W1256-L1260 PolarHBondContact O-N 3.31Å
1257G79.7Confident80.7Confident9 Ų968.3 Ų68.39%0.09337%0.372CS..Hα-helixtrans-55.8-46.5171.700000113.9Q1252 G1254 G1255 T1259 L1260 C1261Q1252-G1257 WeakPolarHBondContact O-CA 3.4Å; G1254-G1257 PolarHBondContact O-N 3.48Å; G1255-G1257 VanDerWaalsContact C-N 3.32Å; G1255-G1257 PolarHBondContact O-N 2.72Å; G1257-T1259 VanDerWaalsContact C-N 3.34Å; G1257-T1259 PolarHBondContact O-N 2.89Å; G1257-L1260 PolarHBondContact O-N 3.27Å; G1257-C1261 WeakPolarHBondContact O-CB 3.48Å; G1257-C1261 PolarHBondContact O-N 3.24Å
1258K78.5Confident80.9Confident159 Ų15967.6 Ų67.669%0.69137%0.369SS*.Hα-helixtrans-61.5-41.3174.4-69.7-172.7176.6-176.10111.8G1254 G1255 W1256 C1261 I1262G1254-K1258 PolarHBondContact O-N 3.36Å; G1255-K1258 PolarHBondContact O-N 3.16Å; W1256-K1258 PolarHBondContact O-N 2.79Å; K1258-C1261 PolarHBondContact O-N 3.47Å; K1258-I1262 WeakPolarHBondContact O-CD1 3.4Å; K1258-I1262 VanDerWaalsContact O-CG1 3.26Å; K1258-I1262 WeakPolarHBondContact O-CG1 3.39Å; K1258-I1262 PolarHBondContact O-N 3.27Å
1259T83.4Confident81.3Confident71 Ų7164.7 Ų64.744%0.43635%0.348SS..Hα-helixtrans-67.3-37.7175.952.80000113G1255 W1256 G1257 I1262 V1263G1255-T1259 PolarHBondContact O-N 3.5Å; W1256-T1259 WeakPolarHBondContact CA-OG1 3.43Å; W1256-T1259 PolarHBondContact O-N 3.05Å; W1256-T1259 VanDerWaalsContact O-N 3.13Å; W1256-T1259 PolarHBondContact O-OG1 3.03Å; G1257-T1259 VanDerWaalsContact C-N 3.34Å; G1257-T1259 PolarHBondContact O-N 2.89Å; T1259-I1262 PolarHBondContact O-N 3.34Å; T1259-V1263 WeakPolarHBondContact O-CG2 3.39Å; T1259-V1263 PolarHBondContact O-N 2.04Å
1260L84.8Confident81.4Confident14 Ų1458.1 Ų58.17%0.07333%0.325CS..Hα-helixtrans-69-37.7176.7-73.2169.6000112W1249 F1250 Q1252 W1256 G1257 V1263 R1264W1249-L1260 HydrophobicContact CZ3-CD2 4.39Å; F1250-L1260 HydrophobicContact CD1-CB 4.31Å; F1250-L1260 HydrophobicContact CD1-CD2 4.25Å; Q1252-L1260 HydrophobicContact CB-CD1 4.03Å; Q1252-L1260 HydrophobicContact CG-CD1 3.93Å; W1256-L1260 WeakPolarHBondContact O-CG 3.07Å; W1256-L1260 PolarHBondContact O-N 3.31Å; G1257-L1260 PolarHBondContact O-N 3.27Å; L1260-V1263 PolarHBondContact O-N 2.96Å; L1260-R1264 WeakPolarHBondContact O-CB 3.18Å; L1260-R1264 PolarHBondContact O-N 3.45Å
1261C84.3Confident81.7Confident24 Ų2459.2 Ų59.216%0.16234%0.335CS..Hα-helixtrans-63.1-43.8170.71760000112G1257 K1258 V1263 R1264 Q1265 C1289G1257-C1261 WeakPolarHBondContact O-CB 3.48Å; G1257-C1261 PolarHBondContact O-N 3.24Å; K1258-C1261 PolarHBondContact O-N 3.47Å; C1261-V1263 VanDerWaalsContact C-N 3.32Å; C1261-V1263 PolarHBondContact O-N 3.15Å; C1261-R1264 PolarHBondContact O-N 2.96Å; C1261-Q1265 WeakPolarHBondContact O-CG 3.48Å; C1261-Q1265 PolarHBondContact O-N 3.26Å; C1261-C1289 WeakPolarHBondContact CA-SG 3.05Å; C1261-C1289 HydrophobicContact CB-CB 3.98Å; C1261-C1289 WeakPolarHBondContact CB-SG 3.47Å; C1261-C1289 WeakPolarHBondContact SG-CB 3.37Å; C1261-C1289 CovalentContact SG-SG 2.04Å; C1261-C1289 PolarHBondContact SG-SG 2.96Å
1262I83.7Confident81.9Confident75 Ų7556.5 Ų56.539%0.38532%0.321SS..Hα-helixtrans-60.2-41.8173.9-68.8163000110.7K1258 T1259 Q1265 L1266K1258-I1262 WeakPolarHBondContact O-CD1 3.4Å; K1258-I1262 VanDerWaalsContact O-CG1 3.26Å; K1258-I1262 WeakPolarHBondContact O-CG1 3.39Å; K1258-I1262 PolarHBondContact O-N 3.27Å; T1259-I1262 PolarHBondContact O-N 3.34Å; I1262-Q1265 PolarHBondContact O-N 3.39Å; I1262-L1266 WeakPolarHBondContact O-CB 3.27Å; I1262-L1266 PolarHBondContact O-N 3.3Å
1263V86Confident82.4Confident56 Ų5653 Ų5334%0.33931%0.305SS..Hα-helixtrans-62.9-44.2175.1168.70000111.6F1250 T1259 L1260 C1261 Q1265 L1266 F1267F1250-V1263 HydrophobicContact CE1-CG1 4.27Å; T1259-V1263 WeakPolarHBondContact O-CG2 3.39Å; T1259-V1263 PolarHBondContact O-N 2.04Å; L1260-V1263 PolarHBondContact O-N 2.96Å; C1261-V1263 VanDerWaalsContact C-N 3.32Å; C1261-V1263 PolarHBondContact O-N 3.15Å; V1263-Q1265 VanDerWaalsContact C-N 3.33Å; V1263-Q1265 PolarHBondContact O-N 2.99Å; V1263-L1266 PolarHBondContact O-N 3Å; V1263-F1267 HydrophobicContact CG1-CD2 4.03Å; V1263-F1267 HydrophobicContact CG1-CE2 4.39Å; V1263-F1267 PolarHBondContact O-N 3.47Å; V1263-F1267 VanDerWaalsContact O-N 3.11Å
1264R85.6Confident82.9Confident11 Ų1154.4 Ų54.44%0.04230%0.304CS..Hα-helixtrans-59.2-42.1175.7176.6177.8167.9-142.7-18.6111.6F1250 L1260 C1261 S1268 I1269 F1285 C1289 V1291F1250-R1264 HydrophobicContact CD1-CB 4.28Å; L1260-R1264 WeakPolarHBondContact O-CB 3.18Å; L1260-R1264 PolarHBondContact O-N 3.45Å; C1261-R1264 PolarHBondContact O-N 2.96Å; R1264-S1268 VanDerWaalsContact O-CA 3.3Å; R1264-S1268 WeakPolarHBondContact O-CA 3.45Å; R1264-S1268 PolarHBondContact O-N 3.39Å; R1264-S1268 VanDerWaalsContact O-N 3.08Å; R1264-I1269 HydrophobicContact CG-CB 4.42Å; R1264-I1269 PolarHBondContact O-N 3.16Å; R1264-F1285 VanDerWaalsContact NH1-CD1 3.33Å; R1264-F1285 PolarHBondContact NH1-O 3.24Å; R1264-C1289 PolarHBondContact NH1-O 3.02Å; R1264-C1289 PolarHBondContact NH2-O 2.95Å; R1264-V1291 HydrophobicContact CG-CG2 4.01Å
1265Q83.7Confident83.1Confident19 Ų1956.2 Ų56.29%0.08930%0.297CS..Hα-helixtrans-71.7-40.4176-72.2179.3-21.800112.8C1261 I1262 V1263 F1267 S1268 A1290 V1291C1261-Q1265 WeakPolarHBondContact O-CG 3.48Å; C1261-Q1265 PolarHBondContact O-N 3.26Å; I1262-Q1265 PolarHBondContact O-N 3.39Å; V1263-Q1265 VanDerWaalsContact C-N 3.33Å; V1263-Q1265 PolarHBondContact O-N 2.99Å; Q1265-F1267 PolarHBondContact O-N 3.3Å; Q1265-S1268 PolarHBondContact O-N 3.28Å; Q1265-A1290 PolarHBondContact NE2-O 2.94Å; Q1265-V1291 HydrophobicContact CG-CG2 3.91Å
1266L85.4Confident83.4Confident52 Ų5253.9 Ų53.927%0.27227%0.272SS..Hα-helixtrans-65.2-39.2-177.6-169.577.1000112.9L1186 I1262 V1263 F1674L1186-L1266 HydrophobicContact CB-CD1 4.47Å; L1186-L1266 HydrophobicContact CB-CG 4.13Å; L1186-L1266 WeakPolarHBondContact CB-O 3.27Å; L1186-L1266 HydrophobicContact CD2-CD2 4.25Å; L1186-L1266 HydrophobicContact CD2-CG 4.48Å; L1186-L1266 PolarHBondContact N-O 3.13Å; I1262-L1266 WeakPolarHBondContact O-CB 3.27Å; I1262-L1266 PolarHBondContact O-N 3.3Å; V1263-L1266 PolarHBondContact O-N 3Å; L1266-F1674 HydrophobicContact CD1-CE1 4.38Å; L1266-F1674 HydrophobicContact CD1-CZ 4.47Å
1267F86.1Confident83.4Confident71 Ų7149 Ų4931%0.31126%0.257SS..Hα-helixtrans-97.5-2.8178.2-70.2-72.8000114.1L1186 F1187 V1263 Q1265 I1269L1186-F1267 HydrophobicContact CD2-CE1 3.84Å; L1186-F1267 HydrophobicContact CD2-CZ 4.06Å; F1187-F1267 AromaticContact CE2-CD1 3.99Å; F1187-F1267 HydrophobicContact CE2-CD1 3.99Å; F1187-F1267 AromaticContact CZ-CD1 3.86Å; F1187-F1267 HydrophobicContact CZ-CD1 3.86Å; F1187-F1267 HydrophobicContact CZ-CE1 4.37Å; V1263-F1267 HydrophobicContact CG1-CD2 4.03Å; V1263-F1267 HydrophobicContact CG1-CE2 4.39Å; V1263-F1267 PolarHBondContact O-N 3.47Å; V1263-F1267 VanDerWaalsContact O-N 3.11Å; Q1265-F1267 PolarHBondContact O-N 3.3Å; F1267-I1269 HydrophobicContact CB-CD1 4.22Å; F1267-I1269 HydrophobicContact CB-CG1 3.9Å
1268S84.6Confident83.1Confident8 Ų854 Ų546%0.05629%0.286CS..THydrogen-bonded Turntrans50.455.1-172.9178.10000113.6R1264 Q1265 T1270 V1291 E1295R1264-S1268 VanDerWaalsContact O-CA 3.3Å; R1264-S1268 WeakPolarHBondContact O-CA 3.45Å; R1264-S1268 PolarHBondContact O-N 3.39Å; R1264-S1268 VanDerWaalsContact O-N 3.08Å; Q1265-S1268 PolarHBondContact O-N 3.28Å; S1268-T1270 PolarHBondContact O-N 3.01Å; S1268-V1291 VanDerWaalsContact OG-CG1 3.31Å; S1268-V1291 WeakPolarHBondContact OG-CG1 3.47Å; S1268-E1295 VanDerWaalsContact OG-CB 3.32Å; S1268-E1295 WeakPolarHBondContact OG-CB 3.4Å
1269I85.9Confident83.1Confident12 Ų1247.4 Ų47.46%0.06226%0.257CS..  trans-78.2109.1-179.8-56.3175.1000109.5F1250 R1264 F1267F1250-I1269 HydrophobicContact CE1-CD1 4.01Å; F1250-I1269 HydrophobicContact CE2-CD1 4.36Å; F1250-I1269 HydrophobicContact CE2-CG2 4.27Å; F1250-I1269 HydrophobicContact CZ-CD1 3.55Å; F1250-I1269 HydrophobicContact CZ-CG2 4.47Å; R1264-I1269 HydrophobicContact CG-CB 4.42Å; R1264-I1269 PolarHBondContact O-N 3.16Å; F1267-I1269 HydrophobicContact CB-CD1 4.22Å; F1267-I1269 HydrophobicContact CB-CG1 3.9Å
1270T83.2Confident82.6Confident25 Ų2551.5 Ų51.515%0.15327%0.269CS..  trans-155.8150.9176.4-174.30000110.5Q1240 S1268 V1272Q1240-T1270 PolarHBondContact NE2-O 3.14Å; S1268-T1270 PolarHBondContact O-N 3.01Å; T1270-V1272 HydrophobicContact CG2-CG2 4.49Å
1271C85.5Confident81.7Confident38 Ų3858.7 Ų58.726%0.25730%0.302SS..  trans-70.9138.1170-164.90000110.4C1244C1244-C1271 HydrophobicContact CB-CB 3.9Å; C1244-C1271 WeakPolarHBondContact CB-SG 3.33Å; C1244-C1271 WeakPolarHBondContact SG-CA 3.42Å; C1244-C1271 WeakPolarHBondContact SG-CB 3.26Å; C1244-C1271 CovalentContact SG-SG 2.04Å; C1244-C1271 PolarHBondContact SG-SG 3.21Å
1272V84Confident81.2Confident28 Ų2858 Ų5817%0.1730%0.297CS..  trans-120.2-23.1-177.8165.40000112.1T1270 N1274 N1297T1270-V1272 HydrophobicContact CG2-CG2 4.49Å; V1272-N1274 PolarHBondContact O-N 3.28Å; V1272-N1297 WeakPolarHBondContact CG1-OD1 3.48Å
1273N82.8Confident80.7Confident18 Ų1859.3 Ų59.310%0.09630%0.302CS..  trans-74.8114.6179.8-168.3-18.9000110.3E1275 C1276N1273-E1275 PolarHBondContact O-N 3.04Å; N1273-E1275 PolarHBondContact OD1-N 2.95Å; N1273-C1276 WeakPolarHBondContact O-CB 3.12Å; N1273-C1276 PolarHBondContact O-N 3.1Å
1274N80.6Confident80.2Confident151 Ų15162.3 Ų62.381%0.80732%0.316SS*.THydrogen-bonded Turntrans-62-23.2-175.7-66.4-21.3000114V1272 C1276V1272-N1274 PolarHBondContact O-N 3.28Å; N1274-C1276 VanDerWaalsContact C-N 3.31Å
1275E79.8Confident79.8Confident91 Ų9162.9 Ų62.943%0.42532%0.318SS..THydrogen-bonded Turntrans-86.2-5.6-176.9-54.1-64.915300112.2Y1089 N1273Y1089-E1275 HydrophobicContact CD1-CB 4.43Å; Y1089-E1275 HydrophobicContact CE1-CB 3.7Å; Y1089-E1275 HydrophobicContact CE1-CG 4.46Å; Y1089-E1275 HydrophobicContact CE2-CB 3.89Å; Y1089-E1275 WeakPolarHBondContact OH-CB 3.06Å; Y1089-E1275 WeakPolarHBondContact OH-CG 2.97Å; N1273-E1275 PolarHBondContact O-N 3.04Å; N1273-E1275 PolarHBondContact OD1-N 2.95Å
1276C82.8Confident79.2Confident11 Ų1164 Ų647%0.07433%0.329CS..SBendtrans-83.4135.7171.2-69.10000111N1086 N1273 N1274N1086-C1276 HydrophobicContact CB-CB 4.5Å; N1086-C1276 WeakPolarHBondContact OD1-CA 3.41Å; N1273-C1276 WeakPolarHBondContact O-CB 3.12Å; N1273-C1276 PolarHBondContact O-N 3.1Å; N1274-C1276 VanDerWaalsContact C-N 3.31Å
1277H81.7Confident78.6Confident86 Ų8667 Ų6740%0.39834%0.34SS..PPolyproline II helixtrans-64138.2173.8-74.5-163.2000111.6D1082 F1085 N1086 L1279D1082-H1277 HydrophobicContact CB-CB 4.04Å; D1082-H1277 IonicContact OD1-CE1 2.74Å; D1082-H1277 IonicContact OD1-CG 3.92Å; D1082-H1277 IonicContact OD1-ND1 3.53Å; D1082-H1277 PolarHBondContact OD1-ND1 3.35Å; F1085-H1277 HydrophobicContact CD1-CB 4.49Å; F1085-H1277 AromaticContact CD1-CD2 3.61Å; F1085-H1277 AromaticContact CD1-CG 3.83Å; F1085-H1277 AromaticContact CD1-NE2 3.81Å; F1085-H1277 AromaticContact CE1-CD2 3.45Å; F1085-H1277 VanDerWaalsContact CE1-CD2 3.45Å; F1085-H1277 WeakPolarHBondContact CE1-CD2 3.45Å; F1085-H1277 AromaticContact CE1-NE2 3.55Å; F1085-H1277 AromaticContact CZ-NE2 3.84Å; N1086-H1277 PolarHBondContact ND2-O 3.16Å; N1086-H1277 PolarHBondContact OD1-N 3.45Å; H1277-L1279 PolarHBondContact O-N 3.48Å
1278V73.2Confident78Confident115 Ų11567.9 Ų67.970%0.69736%0.359SS*.PPolyproline II helixtrans-73.2125.2171.5-178.20000109.2K1280V1278-K1280 PolarHBondContact O-N 3.37Å
1279L78.7Confident77.8Confident19 Ų1967.6 Ų67.610%0.09936%0.358CS..  trans-65.593.7177.4-67.3164.2000110.6D1082 A1083 L1247 H1277 E1281 L1282D1082-L1279 HydrophobicContact CB-CD2 4.31Å; A1083-L1279 HydrophobicContact CB-CD2 4.14Å; L1247-L1279 HydrophobicContact CB-CD1 3.78Å; H1277-L1279 PolarHBondContact O-N 3.48Å; L1279-E1281 PolarHBondContact O-N 3.49Å; L1279-E1281 VanDerWaalsContact O-N 3.14Å; L1279-L1282 HydrophobicContact CB-CD1 4.1Å; L1279-L1282 HydrophobicContact CD1-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 2.68Å
1280K71.9Confident77.4Confident158 Ų15869.2 Ų69.269%0.68737%0.373SS*.G310 helixtrans-54.5-34.4-172.7-68.8171.4-176.3156.70114.1V1278 L1282V1278-K1280 PolarHBondContact O-N 3.37Å; K1280-L1282 PolarHBondContact O-N 3.28Å; K1280-L1282 VanDerWaalsContact O-N 3.16Å
1281E67.3Low77Confident164 Ų16469.5 Ų69.577%0.76637%0.374SS*.G310 helixtrans-62.9-18.4179.6-62.1177.3165.600113.5L1279L1279-E1281 PolarHBondContact O-N 3.49Å; L1279-E1281 VanDerWaalsContact O-N 3.14Å
1282L72.9Confident76.5Confident9 Ų971.5 Ų71.55%0.04738%0.38CS..G310 helixtrans-112.812.2-172.5-76.7127.3000114.5D1251 L1279 K1280 D1284 F1285 S1286D1251-L1282 HydrophobicContact CB-CD2 3.6Å; L1279-L1282 HydrophobicContact CB-CD1 4.1Å; L1279-L1282 HydrophobicContact CD1-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 2.68Å; K1280-L1282 PolarHBondContact O-N 3.28Å; K1280-L1282 VanDerWaalsContact O-N 3.16Å; L1282-D1284 VanDerWaalsContact C-N 3.34Å; L1282-D1284 PolarHBondContact O-N 3.14Å; L1282-F1285 HydrophobicContact CD2-CB 4.14Å; L1282-F1285 HydrophobicContact CD2-CD1 3.69Å; L1282-F1285 HydrophobicContact CD2-CE1 4.48Å; L1282-F1285 HydrophobicContact CD2-CG 4.16Å; L1282-F1285 PolarHBondContact O-N 2.89Å; L1282-S1286 WeakPolarHBondContact O-CB 3.37Å; L1282-S1286 PolarHBondContact O-N 3.02Å
1283E73.9Confident76Confident104 Ų10474.3 Ų74.349%0.48640%0.397SS..Hα-helixtrans-61.9-40.9-177.5-157.3-166.712500112.1S1286 K1287E1283-S1286 WeakPolarHBondContact O-CB 3.41Å; E1283-S1286 PolarHBondContact O-N 3.25Å; E1283-S1286 PolarHBondContact O-OG 2.73Å; E1283-K1287 WeakPolarHBondContact O-CG 3.46Å; E1283-K1287 PolarHBondContact O-N 3.5Å; E1283-K1287 VanDerWaalsContact O-N 3.13Å; E1283-K1287 WeakPolarHBondContact OE1-CE 3.43Å; E1283-K1287 IonicContact OE1-NZ 3.9Å; E1283-K1287 PolarHBondContact OE1-NZ 3.42Å
1284D73.7Confident75.8Confident119 Ų11979.5 Ų79.564%0.63642%0.419SS*.Hα-helixtrans-73.4-35179.3-70.9-19.3000112.6L1282 S1286 K1287 A1288L1282-D1284 VanDerWaalsContact C-N 3.34Å; L1282-D1284 PolarHBondContact O-N 3.14Å; D1284-S1286 VanDerWaalsContact C-N 3.26Å; D1284-S1286 PolarHBondContact O-N 2.89Å; D1284-K1287 PolarHBondContact O-N 2.88Å; D1284-K1287 IonicContact OD1-NZ 2.69Å; D1284-K1287 PolarHBondContact OD1-NZ 3.1Å; D1284-A1288 WeakPolarHBondContact O-CB 3.47Å; D1284-A1288 PolarHBondContact O-N 2.82Å
1285F77.7Confident75.5Confident22 Ų2272.9 Ų72.910%0.09638%0.383CS..Hα-helixtrans-62.4-34.4167.7176.2-109000111.9F1250 D1251 R1264 L1282 K1287 C1289F1250-F1285 HydrophobicContact CB-CE1 3.85Å; F1250-F1285 HydrophobicContact CB-CZ 3.73Å; F1250-F1285 VanDerWaalsContact O-CZ 3.3Å; F1250-F1285 WeakPolarHBondContact O-CZ 3.49Å; D1251-F1285 HydrophobicContact CB-CB 4.28Å; D1251-F1285 HydrophobicContact CB-CD1 4.02Å; D1251-F1285 HydrophobicContact CB-CD2 3.79Å; D1251-F1285 HydrophobicContact CB-CE1 4.3Å; D1251-F1285 HydrophobicContact CB-CE2 4.1Å; D1251-F1285 HydrophobicContact CB-CG 3.76Å; D1251-F1285 HydrophobicContact CB-CZ 4.35Å; D1251-F1285 WeakPolarHBondContact OD1-CD2 3.36Å; R1264-F1285 VanDerWaalsContact NH1-CD1 3.33Å; R1264-F1285 PolarHBondContact NH1-O 3.24Å; L1282-F1285 HydrophobicContact CD2-CB 4.14Å; L1282-F1285 HydrophobicContact CD2-CD1 3.69Å; L1282-F1285 HydrophobicContact CD2-CE1 4.48Å; L1282-F1285 HydrophobicContact CD2-CG 4.16Å; L1282-F1285 PolarHBondContact O-N 2.89Å; F1285-K1287 VanDerWaalsContact C-N 3.34Å; F1285-K1287 PolarHBondContact O-N 3.23Å; F1285-C1289 HydrophobicContact CE2-CB 4.2Å; F1285-C1289 HydrophobicContact CZ-CB 4.35Å; F1285-C1289 PolarHBondContact O-N 2.88Å
1286S71.7Confident75.3Confident44 Ų4468.8 Ų68.831%0.30837%0.366SS..Hα-helixtrans-65.3-36.7175.589.60000112.3L1282 E1283 D1284 C1289 A1290L1282-S1286 WeakPolarHBondContact O-CB 3.37Å; L1282-S1286 PolarHBondContact O-N 3.02Å; E1283-S1286 WeakPolarHBondContact O-CB 3.41Å; E1283-S1286 PolarHBondContact O-N 3.25Å; E1283-S1286 PolarHBondContact O-OG 2.73Å; D1284-S1286 VanDerWaalsContact C-N 3.26Å; D1284-S1286 PolarHBondContact O-N 2.89Å; S1286-C1289 CarbonylContact O-C 3.55Å; S1286-A1290 WeakPolarHBondContact O-CA 3.41Å; S1286-A1290 PolarHBondContact O-N 3.02Å
1287K73.7Confident75.3Confident115 Ų11571.5 Ų71.550%0.538%0.379SS..Hα-helixtrans-74.9-42.4176.1-65.4165.6-164.9152.20112.3E1283 D1284 F1285E1283-K1287 WeakPolarHBondContact O-CG 3.46Å; E1283-K1287 PolarHBondContact O-N 3.5Å; E1283-K1287 VanDerWaalsContact O-N 3.13Å; E1283-K1287 WeakPolarHBondContact OE1-CE 3.43Å; E1283-K1287 IonicContact OE1-NZ 3.9Å; E1283-K1287 PolarHBondContact OE1-NZ 3.42Å; D1284-K1287 PolarHBondContact O-N 2.88Å; D1284-K1287 IonicContact OD1-NZ 2.69Å; D1284-K1287 PolarHBondContact OD1-NZ 3.1Å; F1285-K1287 VanDerWaalsContact C-N 3.34Å; F1285-K1287 PolarHBondContact O-N 3.23Å
1288A73.5Confident75.7Confident88 Ų8867.4 Ų67.473%0.72736%0.36SS*.Hα-helixtrans-67.1-36.1178.900000112.6D1284D1284-A1288 WeakPolarHBondContact O-CB 3.47Å; D1284-A1288 PolarHBondContact O-N 2.82Å
1289C79.8Confident76.4Confident3 Ų362.9 Ų62.92%0.0234%0.337CS..THydrogen-bonded Turntrans-119.166.2177.9-169.80000110.8C1261 R1264 F1285 S1286C1261-C1289 WeakPolarHBondContact CA-SG 3.05Å; C1261-C1289 HydrophobicContact CB-CB 3.98Å; C1261-C1289 WeakPolarHBondContact CB-SG 3.47Å; C1261-C1289 WeakPolarHBondContact SG-CB 3.37Å; C1261-C1289 CovalentContact SG-SG 2.04Å; C1261-C1289 PolarHBondContact SG-SG 2.96Å; R1264-C1289 PolarHBondContact NH1-O 3.02Å; R1264-C1289 PolarHBondContact NH2-O 2.95Å; F1285-C1289 HydrophobicContact CE2-CB 4.2Å; F1285-C1289 HydrophobicContact CZ-CB 4.35Å; F1285-C1289 PolarHBondContact O-N 2.88Å; S1286-C1289 CarbonylContact O-C 3.55Å
1290A76.8Confident76.8Confident46 Ų4667.6 Ų67.638%0.3836%0.357SS..  trans-64.2143.8-176.900000113.1Q1265 S1286Q1265-A1290 PolarHBondContact NE2-O 2.94Å; S1286-A1290 WeakPolarHBondContact O-CA 3.41Å; S1286-A1290 PolarHBondContact O-N 3.02Å
1291V75.7Confident77.7Confident30 Ų3060.3 Ų60.318%0.18233%0.325CS..  trans-141.5139.7176.4175.70000108.1R1264 Q1265 S1268R1264-V1291 HydrophobicContact CG-CG2 4.01Å; Q1265-V1291 HydrophobicContact CG-CG2 3.91Å; S1268-V1291 VanDerWaalsContact OG-CG1 3.31Å; S1268-V1291 WeakPolarHBondContact OG-CG1 3.47Å
1292E75.4Confident78.8Confident81 Ų8153 Ų5338%0.37929%0.292SS..  trans-79.8119.2178.5-68.8-170.8-158.100112K1294 E1295 Q1703E1292-K1294 PolarHBondContact O-N 3.32Å; E1292-K1294 VanDerWaalsContact O-N 3.09Å; E1292-E1295 HydrophobicContact CB-CG 4.37Å; E1292-E1295 PolarHBondContact O-N 2.95Å; E1292-E1295 VanDerWaalsContact O-N 3.13Å; E1292-Q1703 PolarHBondContact OE1-NE2 2.84Å
1293T73.6Confident79.7Confident87 Ų8756.5 Ų56.553%0.53431%0.31SS..G310 helixtrans-60.2-24.2-177.354.10000114.4E1295 G1296T1293-E1295 PolarHBondContact O-N 2.88Å; T1293-G1296 PolarHBondContact O-N 3.28Å
1294K76.8Confident80.6Confident127 Ų12751.5 Ų51.555%0.55229%0.287SS*.G310 helixtrans-59.6-30176.9-65.2175.1-173.8163.80112.9E1292 N1297 D1705E1292-K1294 PolarHBondContact O-N 3.32Å; E1292-K1294 VanDerWaalsContact O-N 3.09Å; K1294-N1297 WeakPolarHBondContact O-CB 3.39Å; K1294-N1297 PolarHBondContact O-N 2.81Å; K1294-D1705 IonicContact NZ-OD2 3.8Å
1295E74.8Confident81.5Confident12 Ų1246 Ų466%0.05626%0.257CS..G310 helixtrans-75.9-28.7-175-61.6-164.1-169.500113.5T1184 S1185 K1236 S1268 E1292 T1293 N1297T1184-E1295 WeakPolarHBondContact CA-OE1 3.49Å; T1184-E1295 WeakPolarHBondContact CB-OE1 3.29Å; T1184-E1295 PolarHBondContact N-OE1 2.9Å; T1184-E1295 PolarHBondContact N-OE2 2.81Å; T1184-E1295 VanDerWaalsContact N-OE2 3.14Å; T1184-E1295 PolarHBondContact OG1-OE1 2.94Å; S1185-E1295 WeakPolarHBondContact CB-OE2 3.38Å; S1185-E1295 PolarHBondContact N-OE2 2.78Å; K1236-E1295 WeakPolarHBondContact CE-O 3.2Å; K1236-E1295 PolarHBondContact NZ-O 3.04Å; S1268-E1295 VanDerWaalsContact OG-CB 3.32Å; S1268-E1295 WeakPolarHBondContact OG-CB 3.4Å; E1292-E1295 HydrophobicContact CB-CG 4.37Å; E1292-E1295 PolarHBondContact O-N 2.95Å; E1292-E1295 VanDerWaalsContact O-N 3.13Å; T1293-E1295 PolarHBondContact O-N 2.88Å; E1295-N1297 PolarHBondContact O-N 2.89Å
1296G75.4Confident82.2Confident5 Ų546.5 Ų46.55%0.05226%0.263CS..G310 helixtrans-68.4-20.1174.900000113.7T1293T1293-G1296 PolarHBondContact O-N 3.28Å
1297N84Confident83.2Confident68 Ų6848.4 Ų48.436%0.36427%0.266SS..  trans-68.1144.2179.7-69.2-25.7000112.2K1236 V1272 K1294 E1295K1236-N1297 PolarHBondContact NZ-O 3.14Å; V1272-N1297 WeakPolarHBondContact CG1-OD1 3.48Å; K1294-N1297 WeakPolarHBondContact O-CB 3.39Å; K1294-N1297 PolarHBondContact O-N 2.81Å; E1295-N1297 PolarHBondContact O-N 2.89Å
1298I89.1Confident84Confident0 Ų042.9 Ų42.90%024%0.242CC..  trans-97.22177.466165.4000114.2I1011 F1012 M1015 I1233 K1236 V1237 F1300 D1301 V1302I1011-I1298 HydrophobicContact CG2-CD1 3.85Å; F1012-I1298 HydrophobicContact CB-CD1 4.02Å; F1012-I1298 HydrophobicContact CB-CG1 4.06Å; F1012-I1298 HydrophobicContact CD2-CG1 3.76Å; F1012-I1298 HydrophobicContact CG-CG1 4.34Å; M1015-I1298 HydrophobicContact CE-CG1 4.25Å; M1015-I1298 HydrophobicContact CE-CG2 4.02Å; M1015-I1298 HydrophobicContact SD-CD1 3.74Å; M1015-I1298 HydrophobicContact SD-CG1 3.89Å; M1015-I1298 HydrophobicContact SD-CG2 4.46Å; I1233-I1298 HydrophobicContact CG2-CD1 4.18Å; K1236-I1298 HydrophobicContact CB-CG2 3.61Å; K1236-I1298 HydrophobicContact CD-CG2 3.62Å; K1236-I1298 HydrophobicContact CG-CG2 4.28Å; V1237-I1298 HydrophobicContact CG2-CD1 4.33Å; I1298-F1300 PolarHBondContact O-N 3.15Å; I1298-D1301 WeakPolarHBondContact O-CA 3.43Å; I1298-D1301 WeakPolarHBondContact O-CB 3.41Å; I1298-D1301 PolarHBondContact O-N 2.8Å; I1298-V1302 HydrophobicContact CD1-CG2 4.15Å; I1298-V1302 HydrophobicContact CG1-CG2 4.34Å; I1298-V1302 PolarHBondContact O-N 2.72Å
1299G87.2Confident84.9Confident20 Ų2039.6 Ų39.621%0.20621%0.213CC..Hα-helixtrans-57.4-44.1-171.500000114.4D1301 V1302 I1303G1299-D1301 VanDerWaalsContact C-N 3.34Å; G1299-V1302 PolarHBondContact O-N 2.92Å; G1299-I1303 WeakPolarHBondContact O-CG1 3.39Å; G1299-I1303 PolarHBondContact O-N 3.47Å; G1299-I1303 VanDerWaalsContact O-N 3.16Å
1300F88.2Confident85.3Confident118 Ų11844.1 Ų44.152%0.51823%0.232SC..Hα-helixtrans-68.8-30.9175.5-73.6-72.5000112.9A1179 A1182 I1298 I1303 A1304A1179-F1300 HydrophobicContact CB-CB 4.21Å; A1182-F1300 HydrophobicContact CB-CD2 3.62Å; A1182-F1300 HydrophobicContact CB-CE2 3.68Å; A1182-F1300 HydrophobicContact CB-CG 4.09Å; A1182-F1300 HydrophobicContact CB-CZ 4.2Å; I1298-F1300 PolarHBondContact O-N 3.15Å; F1300-I1303 PolarHBondContact O-N 2.99Å; F1300-A1304 WeakPolarHBondContact O-CB 3.42Å; F1300-A1304 PolarHBondContact O-N 3.43Å
1301D90.3Very high86Confident4 Ų442.1 Ų42.12%0.02122%0.215CC..Hα-helixtrans-66.6-40.1174.4-62.6-76.8000111.2Y1191 T1229 T1232 I1233 K1236 I1298 G1299 A1304 L1305Y1191-D1301 VanDerWaalsContact CE2-OD1 3.23Å; Y1191-D1301 WeakPolarHBondContact CE2-OD1 3.32Å; Y1191-D1301 PolarHBondContact OH-OD1 2.72Å; T1229-D1301 WeakPolarHBondContact CG2-O 3.45Å; T1232-D1301 PolarHBondContact OG1-OD1 2.99Å; T1232-D1301 VanDerWaalsContact OG1-OD1 3.07Å; I1233-D1301 HydrophobicContact CD1-CB 4.08Å; I1233-D1301 HydrophobicContact CG1-CB 3.61Å; K1236-D1301 IonicContact NZ-OD2 3.72Å; K1236-D1301 PolarHBondContact NZ-OD2 2.97Å; I1298-D1301 WeakPolarHBondContact O-CA 3.43Å; I1298-D1301 WeakPolarHBondContact O-CB 3.41Å; I1298-D1301 PolarHBondContact O-N 2.8Å; G1299-D1301 VanDerWaalsContact C-N 3.34Å; D1301-A1304 PolarHBondContact O-N 3.17Å; D1301-L1305 WeakPolarHBondContact O-CB 3.42Å; D1301-L1305 PolarHBondContact O-N 2.99Å
1302V91.5Very high86.6Confident11 Ų1141.8 Ų41.87%0.06721%0.212CC..Hα-helixtrans-67.9-34175.9177.70000112.1F1012 I1233 I1298 G1299 S1306F1012-V1302 HydrophobicContact CB-CG2 4.39Å; I1233-V1302 HydrophobicContact CD1-CG2 4.4Å; I1298-V1302 HydrophobicContact CD1-CG2 4.15Å; I1298-V1302 HydrophobicContact CG1-CG2 4.34Å; I1298-V1302 PolarHBondContact O-N 2.72Å; G1299-V1302 PolarHBondContact O-N 2.92Å; V1302-S1306 PolarHBondContact O-N 2.62Å; V1302-S1306 PolarHBondContact O-OG 3.25Å
1303I91.5Very high87.1Confident82 Ų8241 Ų4142%0.42121%0.206SC..Hα-helixtrans-66.8-46.7171.9-66.7168.6000110.4G1299 F1300 L1305 S1306 F1307G1299-I1303 WeakPolarHBondContact O-CG1 3.39Å; G1299-I1303 PolarHBondContact O-N 3.47Å; G1299-I1303 VanDerWaalsContact O-N 3.16Å; F1300-I1303 PolarHBondContact O-N 2.99Å; I1303-L1305 VanDerWaalsContact C-N 3.34Å; I1303-L1305 PolarHBondContact O-N 2.86Å; I1303-S1306 WeakPolarHBondContact O-CB 3.49Å; I1303-S1306 PolarHBondContact O-N 2.84Å; I1303-F1307 HydrophobicContact CG2-CD2 4.01Å; I1303-F1307 HydrophobicContact CG2-CE2 3.98Å; I1303-F1307 WeakPolarHBondContact O-CD2 3.29Å; I1303-F1307 PolarHBondContact O-N 3.1Å; I1303-F1307 VanDerWaalsContact O-N 3.13Å
1304A91.4Very high87.8Confident0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-58.9-44.7175.500000111.6T1176 F1300 D1301 S1306 F1307 L1308T1176-A1304 HydrophobicContact CG2-CB 4.24Å; F1300-A1304 WeakPolarHBondContact O-CB 3.42Å; F1300-A1304 PolarHBondContact O-N 3.43Å; D1301-A1304 PolarHBondContact O-N 3.17Å; A1304-S1306 VanDerWaalsContact C-N 3.33Å; A1304-S1306 PolarHBondContact O-N 2.93Å; A1304-F1307 PolarHBondContact O-N 2.82Å; A1304-L1308 WeakPolarHBondContact O-CB 3.41Å; A1304-L1308 VanDerWaalsContact O-CG 3.26Å; A1304-L1308 WeakPolarHBondContact O-CG 3.49Å; A1304-L1308 PolarHBondContact O-N 3Å
1305L93.3Very high88.3Confident4 Ų431.3 Ų31.32%0.02116%0.157CC..Hα-helixtrans-55.1-46.3173.7178.766.3000111.9L1026 L1226 T1229 L1230 I1233 D1301 I1303 F1307 L1308 V1309L1026-L1305 HydrophobicContact CD2-CD2 3.97Å; L1226-L1305 HydrophobicContact CD1-CD1 3.54Å; T1229-L1305 HydrophobicContact CG2-CB 4.01Å; L1230-L1305 HydrophobicContact CD2-CD1 3.9Å; L1230-L1305 HydrophobicContact CG-CD1 4.35Å; I1233-L1305 HydrophobicContact CD1-CB 4.41Å; I1233-L1305 HydrophobicContact CD1-CD2 4.09Å; D1301-L1305 WeakPolarHBondContact O-CB 3.42Å; D1301-L1305 PolarHBondContact O-N 2.99Å; I1303-L1305 VanDerWaalsContact C-N 3.34Å; I1303-L1305 PolarHBondContact O-N 2.86Å; L1305-F1307 PolarHBondContact O-N 2.8Å; L1305-L1308 PolarHBondContact O-N 3.48Å; L1305-V1309 HydrophobicContact CD1-CG2 4.07Å; L1305-V1309 HydrophobicContact CG-CG2 4.41Å; L1305-V1309 WeakPolarHBondContact O-CG2 3.45Å; L1305-V1309 PolarHBondContact O-N 3.38Å
1306S92.1Very high88.6Confident31 Ų3132.7 Ų32.722%0.21716%0.163CC..Hα-helixtrans-60.1-44179.8-59.70000112.2V1302 I1303 A1304 F1310V1302-S1306 PolarHBondContact O-N 2.62Å; V1302-S1306 PolarHBondContact O-OG 3.25Å; I1303-S1306 WeakPolarHBondContact O-CB 3.49Å; I1303-S1306 PolarHBondContact O-N 2.84Å; A1304-S1306 VanDerWaalsContact C-N 3.33Å; A1304-S1306 PolarHBondContact O-N 2.93Å; S1306-F1310 PolarHBondContact O-N 2.83Å
1307F92.5Very high89Confident84 Ų8433.9 Ų33.937%0.36817%0.17SC..Hα-helixtrans-68.6-39.9175-82.1-73.8000112.6I1171 T1172 S1175 I1303 A1304 L1305 F1310 Q1311I1171-F1307 HydrophobicContact CG2-CE1 4.15Å; T1172-F1307 HydrophobicContact CG2-CB 3.93Å; T1172-F1307 HydrophobicContact CG2-CD1 4.2Å; T1172-F1307 HydrophobicContact CG2-CG 4.48Å; S1175-F1307 WeakPolarHBondContact OG-CD2 3.31Å; I1303-F1307 HydrophobicContact CG2-CD2 4.01Å; I1303-F1307 HydrophobicContact CG2-CE2 3.98Å; I1303-F1307 WeakPolarHBondContact O-CD2 3.29Å; I1303-F1307 PolarHBondContact O-N 3.1Å; I1303-F1307 VanDerWaalsContact O-N 3.13Å; A1304-F1307 PolarHBondContact O-N 2.82Å; L1305-F1307 PolarHBondContact O-N 2.8Å; F1307-F1310 PolarHBondContact O-N 2.88Å; F1307-Q1311 VanDerWaalsContact O-CB 3.25Å; F1307-Q1311 WeakPolarHBondContact O-CB 3.42Å; F1307-Q1311 PolarHBondContact O-N 3.26Å
1308L92.3Very high88.9Confident0 Ų034 Ų340%017%0.166CC..Hα-helixtrans-64.8-45.8179-72.9168000112.1T1176 W1222 L1225 L1226 A1304 L1305 F1310 Q1311 I1312T1176-L1308 HydrophobicContact CG2-CD1 4.32Å; T1176-L1308 HydrophobicContact CG2-CD2 4.47Å; T1176-L1308 HydrophobicContact CG2-CG 4.48Å; W1222-L1308 HydrophobicContact CE3-CD2 3.7Å; W1222-L1308 HydrophobicContact CZ3-CD2 3.71Å; L1225-L1308 HydrophobicContact CD2-CD2 3.96Å; L1225-L1308 HydrophobicContact CG-CD1 4.32Å; L1225-L1308 HydrophobicContact CG-CD2 4.1Å; L1226-L1308 HydrophobicContact CD1-CB 4.21Å; A1304-L1308 WeakPolarHBondContact O-CB 3.41Å; A1304-L1308 VanDerWaalsContact O-CG 3.26Å; A1304-L1308 WeakPolarHBondContact O-CG 3.49Å; A1304-L1308 PolarHBondContact O-N 3Å; L1305-L1308 PolarHBondContact O-N 3.48Å; L1308-F1310 VanDerWaalsContact C-N 3.33Å; L1308-F1310 PolarHBondContact O-N 3.25Å; L1308-Q1311 PolarHBondContact O-N 2.92Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.21Å; L1308-I1312 PolarHBondContact O-N 2.95Å
1309V90.8Very high88.9Confident19 Ų1935.1 Ų35.112%0.11517%0.17CC..Hα-helixtrans-59.1-44.6175.7169.80000110.9E1001 M1004 L1226 L1305 R1313E1001-V1309 HydrophobicContact CB-CG1 4.3Å; E1001-V1309 HydrophobicContact CG-CG1 4.17Å; M1004-V1309 HydrophobicContact CE-CG1 3.88Å; L1226-V1309 HydrophobicContact CD1-CG2 4.49Å; L1305-V1309 HydrophobicContact CD1-CG2 4.07Å; L1305-V1309 HydrophobicContact CG-CG2 4.41Å; L1305-V1309 WeakPolarHBondContact O-CG2 3.45Å; L1305-V1309 PolarHBondContact O-N 3.38Å; V1309-R1313 PolarHBondContact O-N 3.47Å; V1309-R1313 VanDerWaalsContact O-N 3.09Å
1310F89.7Confident88.8Confident97 Ų9734.2 Ų34.243%0.42516%0.161SC..Hα-helixtrans-68.5-37.7178-166-104.2000112.9F998 V1164 S1306 F1307 L1308 R1313 I1314F998-F1310 HydrophobicContact CE1-CE2 4.48Å; V1164-F1310 HydrophobicContact CG1-CE1 4.25Å; S1306-F1310 PolarHBondContact O-N 2.83Å; F1307-F1310 PolarHBondContact O-N 2.88Å; L1308-F1310 VanDerWaalsContact C-N 3.33Å; L1308-F1310 PolarHBondContact O-N 3.25Å; F1310-R1313 WeakPolarHBondContact O-CB 3.19Å; F1310-R1313 PolarHBondContact O-N 3.1Å; F1310-I1314 HydrophobicContact CD1-CD1 3.76Å; F1310-I1314 HydrophobicContact CD1-CG1 4.41Å; F1310-I1314 HydrophobicContact CE1-CD1 3.71Å; F1310-I1314 HydrophobicContact CE1-CG1 4.28Å; F1310-I1314 PolarHBondContact O-N 2.81Å
1311Q90.6Very high88.7Confident4 Ų429.1 Ų29.12%0.01914%0.138CC..Hα-helixtrans-69.9-35.2178.1-173.658.242.700112.5T1172 W1222 F1307 L1308 I1314 F1315T1172-Q1311 HydrophobicContact CG2-CB 3.67Å; T1172-Q1311 HydrophobicContact CG2-CG 3.92Å; W1222-Q1311 HydrophobicContact CZ3-CG 4.43Å; F1307-Q1311 VanDerWaalsContact O-CB 3.25Å; F1307-Q1311 WeakPolarHBondContact O-CB 3.42Å; F1307-Q1311 PolarHBondContact O-N 3.26Å; L1308-Q1311 PolarHBondContact O-N 2.92Å; Q1311-I1314 WeakPolarHBondContact O-CB 3.39Å; Q1311-I1314 PolarHBondContact O-N 3.22Å; Q1311-F1315 HydrophobicContact CG-CD2 4.44Å; Q1311-F1315 HydrophobicContact CG-CE2 3.77Å; Q1311-F1315 HydrophobicContact CG-CZ 3.82Å; Q1311-F1315 VanDerWaalsContact O-CD2 3.3Å; Q1311-F1315 WeakPolarHBondContact O-CD2 3.41Å; Q1311-F1315 WeakPolarHBondContact O-CG 3.32Å; Q1311-F1315 PolarHBondContact O-N 3.07Å
1312I88.1Confident88.6Confident24 Ų2430 Ų3012%0.12314%0.142CC..Hα-helixtrans-63.6-44170-70.8165.3000109.9L1226 L1308 I1314 F1315 H1316L1226-I1312 HydrophobicContact CB-CD1 4.28Å; L1226-I1312 HydrophobicContact CD2-CD1 3.7Å; L1226-I1312 HydrophobicContact CG-CD1 4.45Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.21Å; L1308-I1312 PolarHBondContact O-N 2.95Å; I1312-I1314 VanDerWaalsContact C-N 3.28Å; I1312-I1314 PolarHBondContact O-N 2.97Å; I1312-F1315 PolarHBondContact O-N 2.85Å; I1312-F1315 VanDerWaalsContact O-N 3.1Å; I1312-H1316 PolarHBondContact O-CD2 3.25Å; I1312-H1316 PolarHBondContact O-N 2.65Å
1313R86.9Confident88.4Confident64 Ų6429.5 Ų29.524%0.24214%0.139CC..Hα-helixtrans-60.4-35.1173.9-170.157.1158.5149.24.8112.8E1001 V1309 F1310 H1316E1001-R1313 WeakPolarHBondContact OE1-CD 3.34Å; E1001-R1313 IonicContact OE1-CZ 3.59Å; E1001-R1313 IonicContact OE1-NE 2.68Å; E1001-R1313 PolarHBondContact OE1-NE 3.31Å; E1001-R1313 IonicContact OE1-NH2 3.65Å; V1309-R1313 PolarHBondContact O-N 3.47Å; V1309-R1313 VanDerWaalsContact O-N 3.09Å; F1310-R1313 WeakPolarHBondContact O-CB 3.19Å; F1310-R1313 PolarHBondContact O-N 3.1Å; R1313-H1316 PolarHBondContact O-N 3.28Å
1314I87.9Confident88.1Confident8 Ų825.8 Ų25.84%0.04112%0.12CC..Hα-helixtrans-62-47.4171-79.6165.7000111.6V1164 F1165 F1310 Q1311 I1312 H1316 S1317 F1320V1164-I1314 HydrophobicContact CG1-CD1 3.83Å; V1164-I1314 HydrophobicContact CG1-CG1 4.43Å; F1165-I1314 HydrophobicContact CD1-CG1 4.19Å; F1165-I1314 HydrophobicContact CD1-CG2 3.94Å; F1165-I1314 HydrophobicContact CE1-CG1 4.05Å; F1165-I1314 HydrophobicContact CE1-CG2 4.46Å; F1310-I1314 HydrophobicContact CD1-CD1 3.76Å; F1310-I1314 HydrophobicContact CD1-CG1 4.41Å; F1310-I1314 HydrophobicContact CE1-CD1 3.71Å; F1310-I1314 HydrophobicContact CE1-CG1 4.28Å; F1310-I1314 PolarHBondContact O-N 2.81Å; Q1311-I1314 WeakPolarHBondContact O-CB 3.39Å; Q1311-I1314 PolarHBondContact O-N 3.22Å; I1312-I1314 VanDerWaalsContact C-N 3.28Å; I1312-I1314 PolarHBondContact O-N 2.97Å; I1314-H1316 PolarHBondContact O-N 3.42Å; I1314-S1317 VanDerWaalsContact O-CB 3.23Å; I1314-S1317 WeakPolarHBondContact O-CB 3.34Å; I1314-S1317 PolarHBondContact O-N 2.99Å; I1314-F1320 HydrophobicContact CG2-CD2 4.29Å
1315F86.4Confident87.8Confident3 Ų327 Ų271%0.01313%0.127CC..Hα-helixtrans-63.3-25.2179.8-66.3-38.5000113.5Y1206 F1215 W1222 Q1311 I1312 S1317 F1320Y1206-F1315 AromaticContact CE1-CE1 3.93Å; Y1206-F1315 HydrophobicContact CE1-CE1 3.93Å; Y1206-F1315 AromaticContact CE1-CZ 4Å; Y1206-F1315 HydrophobicContact CE1-CZ 4Å; F1215-F1315 HydrophobicContact CZ-CB 4.21Å; W1222-F1315 HydrophobicContact CB-CE2 4.47Å; W1222-F1315 AromaticContact CD1-CE2 3.61Å; W1222-F1315 AromaticContact CD2-CE2 3.78Å; W1222-F1315 HydrophobicContact CD2-CE2 3.78Å; W1222-F1315 HydrophobicContact CD2-CZ 4.28Å; W1222-F1315 AromaticContact CE2-CE2 3.77Å; W1222-F1315 AromaticContact CE2-CZ 3.79Å; W1222-F1315 HydrophobicContact CE3-CE2 4.49Å; W1222-F1315 AromaticContact CG-CE2 3.72Å; W1222-F1315 HydrophobicContact CG-CE2 3.72Å; W1222-F1315 HydrophobicContact CG-CZ 4.47Å; W1222-F1315 HydrophobicContact CZ2-CE2 4.49Å; W1222-F1315 HydrophobicContact CZ2-CZ 4.18Å; W1222-F1315 AromaticContact NE1-CE2 3.66Å; W1222-F1315 AromaticContact NE1-CZ 3.65Å; Q1311-F1315 HydrophobicContact CG-CD2 4.44Å; Q1311-F1315 HydrophobicContact CG-CE2 3.77Å; Q1311-F1315 HydrophobicContact CG-CZ 3.82Å; Q1311-F1315 VanDerWaalsContact O-CD2 3.3Å; Q1311-F1315 WeakPolarHBondContact O-CD2 3.41Å; Q1311-F1315 WeakPolarHBondContact O-CG 3.32Å; Q1311-F1315 PolarHBondContact O-N 3.07Å; I1312-F1315 PolarHBondContact O-N 2.85Å; I1312-F1315 VanDerWaalsContact O-N 3.1Å; F1315-S1317 VanDerWaalsContact C-N 3.33Å; F1315-F1320 HydrophobicContact CD1-CD1 4.03Å; F1315-F1320 HydrophobicContact CD1-CD2 4.07Å; F1315-F1320 AromaticContact CD1-CE1 3.7Å; F1315-F1320 HydrophobicContact CD1-CE1 3.7Å; F1315-F1320 AromaticContact CD1-CE2 3.75Å; F1315-F1320 HydrophobicContact CD1-CE2 3.75Å; F1315-F1320 HydrophobicContact CD1-CG 4.21Å; F1315-F1320 AromaticContact CD1-CZ 3.55Å; F1315-F1320 HydrophobicContact CD1-CZ 3.55Å; F1315-F1320 HydrophobicContact CE1-CD2 4.42Å; F1315-F1320 HydrophobicContact CE1-CE1 4.18Å; F1315-F1320 AromaticContact CE1-CE2 3.71Å; F1315-F1320 HydrophobicContact CE1-CE2 3.71Å; F1315-F1320 AromaticContact CE1-CZ 3.57Å; F1315-F1320 HydrophobicContact CE1-CZ 3.57Å
1316H81.5Confident87.5Confident40 Ų4027.5 Ų27.519%0.18513%0.13CC..THydrogen-bonded Turntrans-83-0.4173.3-74.9-71.8000114.7Y1133 I1312 R1313 I1314Y1133-H1316 VanDerWaalsContact CB-ND1 3.32Å; Y1133-H1316 WeakPolarHBondContact CB-ND1 3.43Å; Y1133-H1316 AromaticContact CD1-CE1 3.64Å; Y1133-H1316 AromaticContact CG-CE1 3.79Å; Y1133-H1316 AromaticContact CG-ND1 3.99Å; I1312-H1316 PolarHBondContact O-CD2 3.25Å; I1312-H1316 PolarHBondContact O-N 2.65Å; R1313-H1316 PolarHBondContact O-N 3.28Å; I1314-H1316 PolarHBondContact O-N 3.42Å
1317S83Confident87.1Confident30 Ų3026.2 Ų26.221%0.2112%0.12CC..SBendtrans-97.4145.2-171.8-171.30000114.5I1314 F1315 Y1319 F1320I1314-S1317 VanDerWaalsContact O-CB 3.23Å; I1314-S1317 WeakPolarHBondContact O-CB 3.34Å; I1314-S1317 PolarHBondContact O-N 2.99Å; F1315-S1317 VanDerWaalsContact C-N 3.33Å; S1317-Y1319 PolarHBondContact O-N 3.46Å; S1317-F1320 PolarHBondContact O-N 3.06Å
1318W83.6Confident86.7Confident72 Ų7222.5 Ų22.527%0.27310%0.104SC..THydrogen-bonded Turntrans-57.1-21.9177.8-65.594.7000114.5I1132 K1141 N1144 P1145 Q1146I1132-W1318 HydrophobicContact CD1-CB 4.28Å; I1132-W1318 HydrophobicContact CD1-CD2 3.75Å; I1132-W1318 HydrophobicContact CD1-CE3 3.76Å; I1132-W1318 HydrophobicContact CD1-CG 3.99Å; I1132-W1318 HydrophobicContact CD1-CZ3 4.32Å; I1132-W1318 HydrophobicContact CG1-CD2 3.46Å; I1132-W1318 VanDerWaalsContact CG1-CD2 3.46Å; I1132-W1318 HydrophobicContact CG1-CE3 3.63Å; I1132-W1318 HydrophobicContact CG1-CG 4.02Å; I1132-W1318 HydrophobicContact CG1-CH2 3.91Å; I1132-W1318 HydrophobicContact CG1-CZ2 3.77Å; I1132-W1318 HydrophobicContact CG1-CZ3 3.85Å; K1141-W1318 HydrophobicContact CD-CH2 4.32Å; K1141-W1318 HydrophobicContact CD-CZ3 4.25Å; N1144-W1318 PolarHBondContact ND2-O 3.33Å; P1145-W1318 HydrophobicContact CG-CD2 4.21Å; P1145-W1318 HydrophobicContact CG-CE3 3.95Å; P1145-W1318 HydrophobicContact CG-CZ3 4.17Å; Q1146-W1318 HydrophobicContact CG-CB 4.33Å
1319Y87.1Confident86.4Confident23 Ų2322.5 Ų22.59%0.0910%0.104CC..THydrogen-bonded Turntrans-75.3-28.8177.5-61.8-64.9000113.9F979 Q1146 F1149 K1161 F1165 S1317 Q1321 H1322F979-Y1319 WeakPolarHBondContact CZ-OH 3.36Å; Q1146-Y1319 HydrophobicContact CB-CE1 3.94Å; Q1146-Y1319 HydrophobicContact CG-CE1 4.02Å; F1149-Y1319 AromaticContact CD1-CD1 3.88Å; F1149-Y1319 HydrophobicContact CD1-CD1 3.88Å; F1149-Y1319 AromaticContact CE1-CD1 3.74Å; F1149-Y1319 HydrophobicContact CE1-CD1 3.74Å; F1149-Y1319 HydrophobicContact CE1-CG 4.23Å; F1149-Y1319 WeakPolarHBondContact CE1-O 3.49Å; K1161-Y1319 HydrophobicContact CD-CD1 4.44Å; K1161-Y1319 HydrophobicContact CD-CE1 4.23Å; K1161-Y1319 PolarHBondContact NZ-OH 3.01Å; F1165-Y1319 HydrophobicContact CD2-CD2 4.37Å; F1165-Y1319 HydrophobicContact CD2-CG 4.03Å; F1165-Y1319 HydrophobicContact CE1-CD2 4.17Å; F1165-Y1319 HydrophobicContact CE1-CG 4.45Å; F1165-Y1319 AromaticContact CE2-CD2 3.55Å; F1165-Y1319 HydrophobicContact CE2-CD2 3.55Å; F1165-Y1319 HydrophobicContact CE2-CE2 4.42Å; F1165-Y1319 AromaticContact CE2-CG 3.65Å; F1165-Y1319 HydrophobicContact CE2-CG 3.65Å; F1165-Y1319 AromaticContact CZ-CD2 3.44Å; F1165-Y1319 HydrophobicContact CZ-CD2 3.44Å; F1165-Y1319 VanDerWaalsContact CZ-CD2 3.44Å; F1165-Y1319 HydrophobicContact CZ-CE2 4.38Å; F1165-Y1319 AromaticContact CZ-CG 3.9Å; F1165-Y1319 HydrophobicContact CZ-CG 3.9Å; S1317-Y1319 PolarHBondContact O-N 3.46Å; Y1319-Q1321 VanDerWaalsContact C-N 3.27Å; Y1319-Q1321 PolarHBondContact O-N 3.07Å; Y1319-H1322 PolarHBondContact O-N 2.86Å
1320F86.8Confident86Confident1 Ų122.5 Ų22.50%0.00410%0.103CC..Hα-helixtrans-69.2-25.9-176.6-173.9-108.3000112.7Y1206 F1215 I1314 F1315 S1317 H1322 C1323 M1324Y1206-F1320 AromaticContact CD1-CZ 3.88Å; Y1206-F1320 HydrophobicContact CD1-CZ 3.88Å; Y1206-F1320 HydrophobicContact CE1-CZ 4.31Å; Y1206-F1320 HydrophobicContact CG-CZ 4.47Å; F1215-F1320 HydrophobicContact CE2-CE1 4.16Å; F1215-F1320 HydrophobicContact CZ-CE1 4.49Å; I1314-F1320 HydrophobicContact CG2-CD2 4.29Å; F1315-F1320 HydrophobicContact CD1-CD1 4.03Å; F1315-F1320 HydrophobicContact CD1-CD2 4.07Å; F1315-F1320 AromaticContact CD1-CE1 3.7Å; F1315-F1320 HydrophobicContact CD1-CE1 3.7Å; F1315-F1320 AromaticContact CD1-CE2 3.75Å; F1315-F1320 HydrophobicContact CD1-CE2 3.75Å; F1315-F1320 HydrophobicContact CD1-CG 4.21Å; F1315-F1320 AromaticContact CD1-CZ 3.55Å; F1315-F1320 HydrophobicContact CD1-CZ 3.55Å; F1315-F1320 HydrophobicContact CE1-CD2 4.42Å; F1315-F1320 HydrophobicContact CE1-CE1 4.18Å; F1315-F1320 AromaticContact CE1-CE2 3.71Å; F1315-F1320 HydrophobicContact CE1-CE2 3.71Å; F1315-F1320 AromaticContact CE1-CZ 3.57Å; F1315-F1320 HydrophobicContact CE1-CZ 3.57Å; S1317-F1320 PolarHBondContact O-N 3.06Å; F1320-H1322 VanDerWaalsContact C-N 3.29Å; F1320-H1322 PolarHBondContact O-N 2.88Å; F1320-C1323 HydrophobicContact CD2-CB 4.29Å; F1320-C1323 HydrophobicContact CE2-CB 4.43Å; F1320-C1323 WeakPolarHBondContact O-CB 3.47Å; F1320-C1323 PolarHBondContact O-N 3.36Å; F1320-M1324 HydrophobicContact CD1-CG 3.95Å; F1320-M1324 HydrophobicContact CD1-SD 3.86Å; F1320-M1324 HydrophobicContact CE1-CG 3.59Å; F1320-M1324 HydrophobicContact CE1-SD 3.61Å; F1320-M1324 HydrophobicContact CZ-CG 4.13Å; F1320-M1324 PolarHBondContact O-N 2.71Å
1321Q85.8Confident85.5Confident10 Ų1020.9 Ų20.95%0.04710%0.1CC..Hα-helixtrans-56.7-39.9177.3-170.1-177.3-50.400112.6I1140 K1141 Y1319 C1323 M1324 V1325I1140-Q1321 HydrophobicContact CG2-CG 4.02Å; K1141-Q1321 PolarHBondContact O-NE2 2.9Å; Y1319-Q1321 VanDerWaalsContact C-N 3.27Å; Y1319-Q1321 PolarHBondContact O-N 3.07Å; Q1321-C1323 VanDerWaalsContact C-N 3.33Å; Q1321-C1323 PolarHBondContact O-N 3.18Å; Q1321-M1324 PolarHBondContact O-N 3.04Å; Q1321-V1325 PolarHBondContact O-N 3.41Å
1322H87.7Confident85Confident23 Ų2320.8 Ų20.811%0.10610%0.1CC..Hα-helixtrans-64.4-37176.9-71.8-79.8000112.2N1144 Q1146 D1148 F1149 I1150 Y1319 F1320 M1324 V1325 E1326N1144-H1322 PolarHBondContact ND2-CD2 3.11Å; N1144-H1322 PolarHBondContact ND2-NE2 3.2Å; Q1146-H1322 PolarHBondContact O-NE2 3.15Å; D1148-H1322 WeakPolarHBondContact CB-ND1 3.48Å; D1148-H1322 IonicContact OD1-ND1 2.95Å; D1148-H1322 IonicContact OD2-CE1 3.54Å; D1148-H1322 IonicContact OD2-CG 2.71Å; D1148-H1322 IonicContact OD2-ND1 2.87Å; D1148-H1322 PolarHBondContact OD2-ND1 2.88Å; F1149-H1322 HydrophobicContact CE1-CB 4.17Å; I1150-H1322 HydrophobicContact CD1-CB 3.89Å; I1150-H1322 HydrophobicContact CG1-CB 4.39Å; Y1319-H1322 PolarHBondContact O-N 2.86Å; F1320-H1322 VanDerWaalsContact C-N 3.29Å; F1320-H1322 PolarHBondContact O-N 2.88Å; H1322-M1324 VanDerWaalsContact C-N 3.32Å; H1322-M1324 PolarHBondContact O-N 3.46Å; H1322-V1325 PolarHBondContact O-N 3Å; H1322-E1326 PolarHBondContact O-N 3.49Å
1323C87.8Confident84.8Confident0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-64-37.7176.1-570000111.7I1150 F1320 Q1321 E1326 Y1327I1150-C1323 HydrophobicContact CD1-CB 4.43Å; F1320-C1323 HydrophobicContact CD2-CB 4.29Å; F1320-C1323 HydrophobicContact CE2-CB 4.43Å; F1320-C1323 WeakPolarHBondContact O-CB 3.47Å; F1320-C1323 PolarHBondContact O-N 3.36Å; Q1321-C1323 VanDerWaalsContact C-N 3.33Å; Q1321-C1323 PolarHBondContact O-N 3.18Å; C1323-E1326 PolarHBondContact O-N 2.82Å; C1323-Y1327 HydrophobicContact CB-CE2 4.22Å; C1323-Y1327 WeakPolarHBondContact O-CD2 3.5Å; C1323-Y1327 PolarHBondContact O-N 2.87Å
1324M83.8Confident84.2Confident4 Ų418.2 Ų18.22%0.029%0.094CC..Hα-helixtrans-66.7-40.1177.4-61.4-174.468.500112.9F1138 M1208 F1215 F1320 Q1321 H1322 E1326 Y1327 R1328F1138-M1324 HydrophobicContact CE1-SD 4.02Å; F1138-M1324 HydrophobicContact CZ-SD 4.16Å; M1208-M1324 HydrophobicContact CE-CE 3.51Å; M1208-M1324 HydrophobicContact CG-CE 3.81Å; M1208-M1324 HydrophobicContact SD-CE 3.48Å; M1208-M1324 WeakPolarHBondContact SD-CE 3.32Å; F1215-M1324 HydrophobicContact CD2-CE 4.24Å; F1215-M1324 HydrophobicContact CE2-CE 4.39Å; F1215-M1324 HydrophobicContact CE2-SD 4.29Å; F1320-M1324 HydrophobicContact CD1-CG 3.95Å; F1320-M1324 HydrophobicContact CD1-SD 3.86Å; F1320-M1324 HydrophobicContact CE1-CG 3.59Å; F1320-M1324 HydrophobicContact CE1-SD 3.61Å; F1320-M1324 HydrophobicContact CZ-CG 4.13Å; F1320-M1324 PolarHBondContact O-N 2.71Å; Q1321-M1324 PolarHBondContact O-N 3.04Å; H1322-M1324 VanDerWaalsContact C-N 3.32Å; H1322-M1324 PolarHBondContact O-N 3.46Å; M1324-E1326 VanDerWaalsContact C-N 3.3Å; M1324-Y1327 PolarHBondContact O-N 3.28Å; M1324-R1328 PolarHBondContact O-N 3.08Å
1325V85.6Confident83.7Confident26 Ų2621.3 Ų21.316%0.15811%0.111CC..Hα-helixtrans-64.9-37.3174.3176.30000110.7Q1321 H1322 R1328 S1329 K1545 L1552Q1321-V1325 PolarHBondContact O-N 3.41Å; H1322-V1325 PolarHBondContact O-N 3Å; V1325-R1328 PolarHBondContact O-N 3.35Å; V1325-S1329 PolarHBondContact O-N 3.33Å; V1325-K1545 HydrophobicContact CG1-CG 4.24Å; V1325-L1552 HydrophobicContact CG1-CB 4.36Å; V1325-L1552 HydrophobicContact CG1-CD1 4.25Å
1326E87.5Confident83.5Confident15 Ų1522.1 Ų22.17%0.0711%0.114CC..Hα-helixtrans-65-43.8175.5-177.961.9-178.100112.9I1150 H1322 C1323 M1324 R1328 S1329 E1330 K1541 K1545I1150-E1326 HydrophobicContact CD1-CB 4.34Å; I1150-E1326 HydrophobicContact CG2-CG 4.45Å; H1322-E1326 PolarHBondContact O-N 3.49Å; C1323-E1326 PolarHBondContact O-N 2.82Å; M1324-E1326 VanDerWaalsContact C-N 3.3Å; E1326-R1328 VanDerWaalsContact C-N 3.27Å; E1326-R1328 PolarHBondContact O-N 2.82Å; E1326-S1329 PolarHBondContact O-N 3.07Å; E1326-S1329 VanDerWaalsContact O-N 3.11Å; E1326-S1329 PolarHBondContact O-OG 3.18Å; E1326-S1329 PolarHBondContact OE2-OG 3.07Å; E1326-S1329 VanDerWaalsContact OE2-OG 3.13Å; E1326-E1330 PolarHBondContact O-N 2.97Å; E1326-E1330 VanDerWaalsContact O-N 3.09Å; E1326-K1541 WeakPolarHBondContact OE1-CE 3.32Å; E1326-K1541 IonicContact OE1-NZ 3.75Å; E1326-K1541 PolarHBondContact OE1-NZ 2.93Å; E1326-K1545 WeakPolarHBondContact OE2-CE 3.16Å; E1326-K1545 IonicContact OE2-NZ 2.93Å; E1326-K1545 PolarHBondContact OE2-NZ 3.44Å
1327Y84.5Confident83.6Confident3 Ų320.3 Ų20.31%0.01211%0.106CC..Hα-helixtrans-64.7-30.7175.7-59-47.2000112.8H1166 H1169 N1203 Y1206 C1323 M1324 V1331H1166-Y1327 AromaticContact CE1-CE1 3.4Å; H1166-Y1327 VanDerWaalsContact CE1-CE1 3.4Å; H1166-Y1327 WeakPolarHBondContact CE1-CE1 3.49Å; H1166-Y1327 AromaticContact CE1-CZ 3.76Å; H1166-Y1327 AromaticContact ND1-CE1 3.85Å; H1166-Y1327 AromaticContact ND1-CZ 3.71Å; H1166-Y1327 PolarHBondContact ND1-OH 3.17Å; H1166-Y1327 PolarHBondContact O-OH 3.35Å; H1166-Y1327 VanDerWaalsContact O-OH 3.06Å; H1169-Y1327 PolarHBondContact CE1-OH 3.41Å; H1169-Y1327 VanDerWaalsContact CE1-OH 3.29Å; N1203-Y1327 HydrophobicContact CB-CD1 4.3Å; Y1206-Y1327 HydrophobicContact CD2-CD2 4.32Å; Y1206-Y1327 HydrophobicContact CD2-CE2 4.02Å; Y1206-Y1327 HydrophobicContact CG-CD2 4.31Å; Y1206-Y1327 HydrophobicContact CG-CE2 4.21Å; C1323-Y1327 HydrophobicContact CB-CE2 4.22Å; C1323-Y1327 WeakPolarHBondContact O-CD2 3.5Å; C1323-Y1327 PolarHBondContact O-N 2.87Å; M1324-Y1327 PolarHBondContact O-N 3.28Å; Y1327-V1331 PolarHBondContact O-N 3.3Å
1328R84.1Confident83.3Confident7 Ų718.9 Ų18.93%0.02610%0.096CC..Hα-helixtrans-69.2-37.6172-69.417180.986.6-6.1111.7M1208 M1324 V1325 E1326 I1332 L1552 N1554M1208-R1328 PolarHBondContact O-NH1 2.98Å; M1324-R1328 PolarHBondContact O-N 3.08Å; V1325-R1328 PolarHBondContact O-N 3.35Å; E1326-R1328 VanDerWaalsContact C-N 3.27Å; E1326-R1328 PolarHBondContact O-N 2.82Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.5Å; R1328-I1332 PolarHBondContact O-N 2.89Å; R1328-L1552 HydrophobicContact CB-CD2 4.35Å; R1328-L1552 WeakPolarHBondContact CD-O 3.13Å; R1328-L1552 PolarHBondContact NE-O 3.48Å; R1328-N1554 PolarHBondContact NH2-O 3.01Å
1329S85.1Confident83.1Confident0 Ų017.7 Ų17.70%010%0.096CC..Hα-helixtrans-64.8-40.2177.590.20000112.2V1325 E1326 I1332 L1333V1325-S1329 PolarHBondContact O-N 3.33Å; E1326-S1329 PolarHBondContact O-N 3.07Å; E1326-S1329 VanDerWaalsContact O-N 3.11Å; E1326-S1329 PolarHBondContact O-OG 3.18Å; E1326-S1329 PolarHBondContact OE2-OG 3.07Å; E1326-S1329 VanDerWaalsContact OE2-OG 3.13Å; S1329-I1332 PolarHBondContact O-N 3.03Å; S1329-L1333 PolarHBondContact O-N 3.18Å
1330E83Confident82.9Confident19 Ų1916.6 Ų16.69%0.0899%0.092CC..Hα-helixtrans-62.3-43.5178.7-75.2-168.4151.700113.5E1326 I1332 L1333 A1334 K1541 K1727E1326-E1330 PolarHBondContact O-N 2.97Å; E1326-E1330 VanDerWaalsContact O-N 3.09Å; E1330-I1332 VanDerWaalsContact C-N 3.31Å; E1330-I1332 PolarHBondContact O-N 3.01Å; E1330-L1333 PolarHBondContact O-N 3.44Å; E1330-A1334 PolarHBondContact O-N 2.92Å; E1330-K1541 IonicContact OE1-NZ 3.51Å; E1330-K1541 PolarHBondContact OE1-NZ 2.74Å; E1330-K1727 WeakPolarHBondContact OE1-CE 3.47Å
1331V78.6Confident82.6Confident62 Ų6220 Ų2038%0.37611%0.107SC..Hα-helixtrans-67.2-33.5-179.8174.50000111.8V1207 Y1327 L1559V1207-V1331 HydrophobicContact CG2-CG2 4.08Å; Y1327-V1331 PolarHBondContact O-N 3.3Å; V1331-L1559 HydrophobicContact CB-CD2 3.86Å; V1331-L1559 HydrophobicContact CG1-CD2 3.74Å
1332I81.3Confident82.2Confident3 Ų322.5 Ų22.52%0.01512%0.12CC..Hα-helixtrans-68.6-44.9178.3-68.2166.7000110.8R1328 S1329 E1330 L1544 L1552 I1562 R1563R1328-I1332 WeakPolarHBondContact O-CG1 3.5Å; R1328-I1332 PolarHBondContact O-N 2.89Å; S1329-I1332 PolarHBondContact O-N 3.03Å; E1330-I1332 VanDerWaalsContact C-N 3.31Å; E1330-I1332 PolarHBondContact O-N 3.01Å; I1332-L1544 HydrophobicContact CB-CD2 4.11Å; I1332-L1544 HydrophobicContact CD1-CD2 4.26Å; I1332-L1544 HydrophobicContact CG2-CD2 3.88Å; I1332-L1552 HydrophobicContact CD1-CD2 3.68Å; I1332-I1562 HydrophobicContact CD1-CG2 3.9Å; I1332-R1563 PolarHBondContact O-NH1 2.93Å
1333L83.2Confident81.9Confident11 Ų1121.8 Ų21.86%0.05812%0.117CC..Hα-helixtrans-88.1-5.6-172.1-75.9165.1000115.8S1329 E1330 N1335 R1336 E1540 K1541 L1544S1329-L1333 PolarHBondContact O-N 3.18Å; E1330-L1333 PolarHBondContact O-N 3.44Å; L1333-N1335 PolarHBondContact O-N 3.48Å; L1333-R1336 VanDerWaalsContact O-CB 3.29Å; L1333-R1336 WeakPolarHBondContact O-CB 3.36Å; L1333-R1336 PolarHBondContact O-N 2.96Å; L1333-E1540 HydrophobicContact CD1-CB 4.39Å; L1333-E1540 HydrophobicContact CD2-CB 4.48Å; L1333-K1541 HydrophobicContact CD1-CB 4.21Å; L1333-K1541 HydrophobicContact CD1-CG 3.56Å; L1333-L1544 HydrophobicContact CD1-CD2 4.04Å; L1333-L1544 HydrophobicContact CG-CD2 4.23Å
1334A73.9Confident81.5Confident22 Ų2221.9 Ų21.918%0.18212%0.118CC..THydrogen-bonded Turntrans-32.1-70-171.100000115.8E1330 R1336 G1337 L1728 G1729E1330-A1334 PolarHBondContact O-N 2.92Å; A1334-R1336 PolarHBondContact O-N 2.89Å; A1334-G1337 PolarHBondContact O-N 3.34Å; A1334-L1728 CarbonylContact O-C 3.57Å; A1334-G1729 WeakPolarHBondContact O-CA 3.43Å; A1334-G1729 PolarHBondContact O-N 2.91Å
1335N77Confident81.1Confident74 Ų7424 Ų2440%0.39613%0.129SC..THydrogen-bonded Turntrans-52.8-21.1-172.8-68.721.8000115.7L1333 G1337 A1338 V1339L1333-N1335 PolarHBondContact O-N 3.48Å; N1335-G1337 PolarHBondContact O-N 3.17Å; N1335-A1338 PolarHBondContact O-N 3.19Å; N1335-V1339 PolarHBondContact O-N 3.24Å
1336R83.1Confident80.7Confident20 Ų2024.2 Ų24.28%0.07513%0.128CC..Hα-helixtrans-67.8-33.6-170.3-177.150.9172167.73.9113.4L1333 A1334 A1338 V1339 L1340 L1537 E1540 V1574L1333-R1336 VanDerWaalsContact O-CB 3.29Å; L1333-R1336 WeakPolarHBondContact O-CB 3.36Å; L1333-R1336 PolarHBondContact O-N 2.96Å; A1334-R1336 PolarHBondContact O-N 2.89Å; R1336-A1338 VanDerWaalsContact C-N 3.32Å; R1336-A1338 PolarHBondContact O-N 3.32Å; R1336-V1339 PolarHBondContact O-N 2.98Å; R1336-L1340 HydrophobicContact CG-CD1 4.26Å; R1336-L1340 WeakPolarHBondContact O-CG 3.48Å; R1336-L1340 PolarHBondContact O-N 2.79Å; R1336-L1340 VanDerWaalsContact O-N 3.11Å; R1336-L1537 HydrophobicContact CB-CD2 3.97Å; R1336-L1537 HydrophobicContact CG-CD2 3.97Å; R1336-E1540 WeakPolarHBondContact CG-OE2 3.46Å; R1336-E1540 IonicContact CZ-OE1 3.63Å; R1336-E1540 IonicContact NE-OE1 2.76Å; R1336-E1540 PolarHBondContact NE-OE1 3.36Å; R1336-E1540 VanDerWaalsContact NE-OE1 3.1Å; R1336-E1540 IonicContact NE-OE2 2.74Å; R1336-E1540 PolarHBondContact NE-OE2 3.27Å; R1336-E1540 IonicContact NH2-OE1 3.7Å; R1336-E1540 PolarHBondContact NH2-OE1 2.9Å; R1336-V1574 PolarHBondContact NH1-O 3.2Å; R1336-V1574 PolarHBondContact NH2-O 2.85Å
1337G82.6Confident80.3Confident1 Ų125.3 Ų25.31%0.0113%0.132CC..Hα-helixtrans-65.3-34177.400000113.5A1334 N1335 K1341 L1728A1334-G1337 PolarHBondContact O-N 3.34Å; N1335-G1337 PolarHBondContact O-N 3.17Å; G1337-K1341 PolarHBondContact O-N 3.13Å; G1337-K1341 VanDerWaalsContact O-N 3.12Å; G1337-L1728 CarbonylContact C-O 3.6Å; G1337-L1728 VanDerWaalsContact C-O 3.32Å; G1337-L1728 WeakPolarHBondContact CA-O 3.47Å
1338A77.1Confident79.9Confident1 Ų126.7 Ų26.71%0.00814%0.139CC..Hα-helixtrans-66.8-41.7175.200000112.3N1335 R1336 K1341 N1342 L1728 L1730 A1734N1335-A1338 PolarHBondContact O-N 3.19Å; R1336-A1338 VanDerWaalsContact C-N 3.32Å; R1336-A1338 PolarHBondContact O-N 3.32Å; A1338-K1341 PolarHBondContact O-N 2.81Å; A1338-N1342 PolarHBondContact O-N 3.35Å; A1338-N1342 VanDerWaalsContact O-N 3.1Å; A1338-L1728 PolarHBondContact N-O 2.9Å; A1338-L1728 VanDerWaalsContact N-O 3.08Å; A1338-L1730 HydrophobicContact CB-CD2 3.77Å; A1338-L1730 HydrophobicContact CB-CG 4.49Å; A1338-A1734 HydrophobicContact CB-CB 4.42Å
1339V78.8Confident79.4Confident46 Ų4627.5 Ų27.528%0.27914%0.144SC..Hα-helixtrans-61.5-48.7175.9176.10000110.7N1335 R1336 K1341 N1342 Q1343 T1739N1335-V1339 PolarHBondContact O-N 3.24Å; R1336-V1339 PolarHBondContact O-N 2.98Å; V1339-K1341 VanDerWaalsContact C-N 3.32Å; V1339-K1341 PolarHBondContact O-N 2.9Å; V1339-N1342 PolarHBondContact O-N 2.87Å; V1339-Q1343 HydrophobicContact CG1-CG 4.47Å; V1339-Q1343 WeakPolarHBondContact O-CG 3.22Å; V1339-Q1343 PolarHBondContact O-N 2.87Å; V1339-T1739 HydrophobicContact CG1-CG2 4.34Å
1340L84.5Confident79Confident1 Ų132.8 Ų32.81%0.00517%0.166CC..Hα-helixtrans-61.1-37.7179.6-68.1167.9000112.7R1336 L1344 Y1532 V1533 V1536 V1574R1336-L1340 HydrophobicContact CG-CD1 4.26Å; R1336-L1340 WeakPolarHBondContact O-CG 3.48Å; R1336-L1340 PolarHBondContact O-N 2.79Å; R1336-L1340 VanDerWaalsContact O-N 3.11Å; L1340-L1344 PolarHBondContact O-N 3.45Å; L1340-Y1532 HydrophobicContact CD2-CE1 4.45Å; L1340-V1533 HydrophobicContact CB-CG1 4.43Å; L1340-V1533 HydrophobicContact CB-CG2 3.97Å; L1340-V1533 HydrophobicContact CD1-CG1 4.33Å; L1340-V1536 HydrophobicContact CD1-CB 3.94Å; L1340-V1536 HydrophobicContact CD1-CG1 3.61Å; L1340-V1536 HydrophobicContact CD2-CG1 4.21Å; L1340-V1574 HydrophobicContact CD2-CB 3.82Å; L1340-V1574 HydrophobicContact CD2-CG1 4.1Å; L1340-V1574 HydrophobicContact CD2-CG2 4.05Å
1341K80.1Confident78.7Confident73 Ų7334.2 Ų34.232%0.31717%0.173SC..Hα-helixtrans-69.2-42.1176.5-178.8163174.4144.90112.2G1337 A1338 V1339 L1344 I1345 E1529G1337-K1341 PolarHBondContact O-N 3.13Å; G1337-K1341 VanDerWaalsContact O-N 3.12Å; A1338-K1341 PolarHBondContact O-N 2.81Å; V1339-K1341 VanDerWaalsContact C-N 3.32Å; V1339-K1341 PolarHBondContact O-N 2.9Å; K1341-L1344 PolarHBondContact O-N 2.86Å; K1341-I1345 HydrophobicContact CG-CD1 3.95Å; K1341-I1345 WeakPolarHBondContact O-CG1 3.34Å; K1341-I1345 PolarHBondContact O-N 3.47Å; K1341-I1345 VanDerWaalsContact O-N 3.12Å; K1341-E1529 WeakPolarHBondContact CE-OE2 3.32Å; K1341-E1529 IonicContact NZ-OE2 3.63Å; K1341-E1529 PolarHBondContact NZ-OE2 3.29Å
1342N76.3Confident78.3Confident61 Ų6131.7 Ų31.733%0.32616%0.157SC..Hα-helixtrans-64-42177.6-765.9000111.9A1338 V1339 L1344 I1345 E1346 T1739A1338-N1342 PolarHBondContact O-N 3.35Å; A1338-N1342 VanDerWaalsContact O-N 3.1Å; V1339-N1342 PolarHBondContact O-N 2.87Å; N1342-L1344 VanDerWaalsContact C-N 3.26Å; N1342-L1344 PolarHBondContact O-N 3.47Å; N1342-I1345 PolarHBondContact O-N 2.83Å; N1342-E1346 WeakPolarHBondContact O-CB 3.31Å; N1342-E1346 PolarHBondContact O-N 3.42Å; N1342-T1739 HydrophobicContact CB-CG2 3.75Å
1343Q81.8Confident78.1Confident8 Ų834.8 Ų34.84%0.03717%0.174CC..Hα-helixtrans-56.5-38.4174.3-75.3177.1-28.100112.6V1339 K1347 T1739 F1740V1339-Q1343 HydrophobicContact CG1-CG 4.47Å; V1339-Q1343 WeakPolarHBondContact O-CG 3.22Å; V1339-Q1343 PolarHBondContact O-N 2.87Å; Q1343-K1347 PolarHBondContact O-N 2.96Å; Q1343-T1739 HydrophobicContact CG-CG2 4.29Å; Q1343-T1739 PolarHBondContact NE2-O 2.9Å; Q1343-F1740 HydrophobicContact CB-CE1 4.11Å; Q1343-F1740 HydrophobicContact CB-CE2 4.17Å; Q1343-F1740 HydrophobicContact CB-CZ 3.65Å; Q1343-F1740 HydrophobicContact CG-CD1 4.45Å; Q1343-F1740 HydrophobicContact CG-CE1 3.98Å; Q1343-F1740 HydrophobicContact CG-CE2 4.29Å; Q1343-F1740 HydrophobicContact CG-CZ 3.91Å; Q1343-F1740 WeakPolarHBondContact O-CE2 3.41Å; Q1343-F1740 WeakPolarHBondContact O-CZ 3.39Å
1344L80.6Confident77.8Confident2 Ų240.7 Ų40.71%0.0120%0.201CC..Hα-helixtrans-71.5-43.4178.4-170.163000112.3L1340 K1341 N1342 E1346 K1347 E1348 E1529 V1580L1340-L1344 PolarHBondContact O-N 3.45Å; K1341-L1344 PolarHBondContact O-N 2.86Å; N1342-L1344 VanDerWaalsContact C-N 3.26Å; N1342-L1344 PolarHBondContact O-N 3.47Å; L1344-E1346 VanDerWaalsContact C-N 3.34Å; L1344-E1346 PolarHBondContact O-N 2.96Å; L1344-K1347 PolarHBondContact O-N 3.44Å; L1344-E1348 PolarHBondContact O-N 3.24Å; L1344-E1348 VanDerWaalsContact O-N 3.12Å; L1344-E1529 HydrophobicContact CD2-CB 3.91Å; L1344-E1529 HydrophobicContact CD2-CG 3.79Å; L1344-V1580 HydrophobicContact CD1-CG1 4.17Å
1345I75.3Confident77.6Confident50 Ų5043.3 Ų43.326%0.25621%0.21SC..Hα-helixtrans-63.1-40.2177.3-66.7166.6000111.3K1341 N1342 K1347 E1348 M1349K1341-I1345 HydrophobicContact CG-CD1 3.95Å; K1341-I1345 WeakPolarHBondContact O-CG1 3.34Å; K1341-I1345 PolarHBondContact O-N 3.47Å; K1341-I1345 VanDerWaalsContact O-N 3.12Å; N1342-I1345 PolarHBondContact O-N 2.83Å; I1345-K1347 VanDerWaalsContact C-N 3.34Å; I1345-K1347 PolarHBondContact O-N 3.46Å; I1345-E1348 PolarHBondContact O-N 2.82Å; I1345-M1349 PolarHBondContact O-N 2.65Å; I1345-M1349 VanDerWaalsContact O-N 3.14Å
1346E76.1Confident77.2Confident30 Ų3042 Ų4214%0.1420%0.201CC..Hα-helixtrans-65.3-36.9179-161.6-162.7134.400112N1342 L1344 K1350 T1739 F1740N1342-E1346 WeakPolarHBondContact O-CB 3.31Å; N1342-E1346 PolarHBondContact O-N 3.42Å; L1344-E1346 VanDerWaalsContact C-N 3.34Å; L1344-E1346 PolarHBondContact O-N 2.96Å; E1346-K1350 WeakPolarHBondContact O-CG 3.44Å; E1346-K1350 PolarHBondContact O-N 2.93Å; E1346-K1350 IonicContact OE1-NZ 2.66Å; E1346-K1350 PolarHBondContact OE1-NZ 3.49Å; E1346-T1739 PolarHBondContact OE2-OG1 2.98Å; E1346-F1740 HydrophobicContact CB-CE2 4.27Å; E1346-F1740 WeakPolarHBondContact OE2-CD2 3.47Å
1347K80.2Confident76.9Confident37 Ų3748.2 Ų48.216%0.16123%0.229CC..Hα-helixtrans-62.8-54.4173.1177.8-176.8170-1760111.3Q1343 L1344 I1345 M1349 K1350 E1351 E1584Q1343-K1347 PolarHBondContact O-N 2.96Å; L1344-K1347 PolarHBondContact O-N 3.44Å; I1345-K1347 VanDerWaalsContact C-N 3.34Å; I1345-K1347 PolarHBondContact O-N 3.46Å; K1347-M1349 PolarHBondContact O-N 2.74Å; K1347-K1350 PolarHBondContact O-N 3.43Å; K1347-E1351 WeakPolarHBondContact CE-OE1 3.36Å; K1347-E1351 WeakPolarHBondContact CG-OE1 3.44Å; K1347-E1351 PolarHBondContact O-N 3.46Å; K1347-E1584 IonicContact NZ-OE2 3.06Å
1348E75.1Confident76.6Confident32 Ų3251 Ų5115%0.1525%0.251CS..Hα-helixtrans-58.2-35.2-178-70.5-175.1-176.800112.8L1344 I1345 Q1352 R1528L1344-E1348 PolarHBondContact O-N 3.24Å; L1344-E1348 VanDerWaalsContact O-N 3.12Å; I1345-E1348 PolarHBondContact O-N 2.82Å; E1348-Q1352 WeakPolarHBondContact O-CG 3.29Å; E1348-Q1352 PolarHBondContact O-N 2.99Å; E1348-R1528 IonicContact OE1-CZ 2.8Å; E1348-R1528 IonicContact OE1-NH2 3.88Å; E1348-R1528 PolarHBondContact OE1-NH2 3.14Å
1349M72.8Confident76.1Confident25 Ų2553 Ų5312%0.12326%0.26CS..Hα-helixtrans-67.1-42.1179-174.5158.6-55.100113.8I1345 K1347 Q1352 N1353 F1823 R1824I1345-M1349 PolarHBondContact O-N 2.65Å; I1345-M1349 VanDerWaalsContact O-N 3.14Å; K1347-M1349 PolarHBondContact O-N 2.74Å; M1349-Q1352 PolarHBondContact O-N 2.87Å; M1349-N1353 PolarHBondContact O-N 2.82Å; M1349-N1353 VanDerWaalsContact O-N 3.09Å; M1349-N1353 PolarHBondContact O-ND2 2.81Å; M1349-F1823 HydrophobicContact CE-CB 3.53Å; M1349-F1823 HydrophobicContact CE-CD1 3.97Å; M1349-F1823 HydrophobicContact CE-CG 4.22Å; M1349-F1823 HydrophobicContact SD-CB 4.18Å; M1349-F1823 HydrophobicContact SD-CD1 3.78Å; M1349-F1823 HydrophobicContact SD-CG 4.49Å; M1349-R1824 WeakPolarHBondContact CE-O 3.47Å
1350K78.3Confident75.9Confident110 Ų11055.7 Ų55.748%0.47827%0.268SS..Hα-helixtrans-62.5-47.5178.8-72.3169.9174.8171.90109.3E1346 K1347 Q1352 N1353 E1354E1346-K1350 WeakPolarHBondContact O-CG 3.44Å; E1346-K1350 PolarHBondContact O-N 2.93Å; E1346-K1350 IonicContact OE1-NZ 2.66Å; E1346-K1350 PolarHBondContact OE1-NZ 3.49Å; K1347-K1350 PolarHBondContact O-N 3.43Å; K1350-Q1352 PolarHBondContact O-N 2.97Å; K1350-N1353 PolarHBondContact O-N 2.9Å; K1350-E1354 WeakPolarHBondContact O-CG 3.43Å; K1350-E1354 PolarHBondContact O-N 2.88Å; K1350-E1354 VanDerWaalsContact O-N 3.1Å
1351E75Confident75.6Confident49 Ų4960.4 Ų60.423%0.22929%0.293CS..Hα-helixtrans-57.5-44.6175.7-66.2173.1-172.900112.9K1347 Q1355 V1424K1347-E1351 WeakPolarHBondContact CE-OE1 3.36Å; K1347-E1351 WeakPolarHBondContact CG-OE1 3.44Å; K1347-E1351 PolarHBondContact O-N 3.46Å; E1351-Q1355 WeakPolarHBondContact O-CG 3.12Å; E1351-Q1355 PolarHBondContact O-N 3.23Å; E1351-Q1355 VanDerWaalsContact O-N 3.16Å; E1351-V1424 WeakPolarHBondContact OE2-CG2 3.23Å
1352Q71.1Confident75.3Confident10 Ų1059.6 Ų59.65%0.04729%0.292CS..Hα-helixtrans-65.3-45178.2-78.1-169.4-17.100113.4E1348 M1349 K1350 E1354 Q1355 Q1356 P1422E1348-Q1352 WeakPolarHBondContact O-CG 3.29Å; E1348-Q1352 PolarHBondContact O-N 2.99Å; M1349-Q1352 PolarHBondContact O-N 2.87Å; K1350-Q1352 PolarHBondContact O-N 2.97Å; Q1352-E1354 VanDerWaalsContact C-N 3.34Å; Q1352-E1354 PolarHBondContact O-N 3.24Å; Q1352-Q1355 PolarHBondContact O-N 3.11Å; Q1352-Q1356 PolarHBondContact O-N 3.14Å; Q1352-P1422 HydrophobicContact CG-CG 4.07Å
1353N76Confident75.1Confident67 Ų6758.5 Ų58.536%0.35829%0.286SS..Hα-helixtrans-66.9-36.8-178.1-76.3-30.4000112M1349 K1350 K1357M1349-N1353 PolarHBondContact O-N 2.82Å; M1349-N1353 VanDerWaalsContact O-N 3.09Å; M1349-N1353 PolarHBondContact O-ND2 2.81Å; K1350-N1353 PolarHBondContact O-N 2.9Å; N1353-K1357 WeakPolarHBondContact O-CG 3.43Å; N1353-K1357 PolarHBondContact O-N 2.74Å
1354E77.5Confident74.9Confident135 Ų13565.3 Ų65.363%0.63131%0.312SS*.Hα-helixtrans-63.4-45173.4-73.3172.1-170.200111.4K1350 Q1352 Q1356 K1357 A1358K1350-E1354 WeakPolarHBondContact O-CG 3.43Å; K1350-E1354 PolarHBondContact O-N 2.88Å; K1350-E1354 VanDerWaalsContact O-N 3.1Å; Q1352-E1354 VanDerWaalsContact C-N 3.34Å; Q1352-E1354 PolarHBondContact O-N 3.24Å; E1354-Q1356 PolarHBondContact O-N 2.84Å; E1354-K1357 PolarHBondContact O-N 2.9Å; E1354-A1358 WeakPolarHBondContact O-CB 3.26Å; E1354-A1358 PolarHBondContact O-N 3.45Å
1355Q69.9Low74.9Confident78 Ų7874.2 Ų74.236%0.36435%0.345SS..Hα-helixtrans-65.9-37.3178.5-73179.710.300113.5E1351 Q1352 A1358 K1359E1351-Q1355 WeakPolarHBondContact O-CG 3.12Å; E1351-Q1355 PolarHBondContact O-N 3.23Å; E1351-Q1355 VanDerWaalsContact O-N 3.16Å; Q1352-Q1355 PolarHBondContact O-N 3.11Å; Q1355-A1358 PolarHBondContact O-N 2.8Å; Q1355-K1359 WeakPolarHBondContact O-CB 3.35Å; Q1355-K1359 WeakPolarHBondContact O-CG 3.39Å; Q1355-K1359 PolarHBondContact O-N 2.59Å
1356Q68.1Low74.7Confident45 Ų4574.9 Ų74.921%0.2134%0.344CS..Hα-helixtrans-65.8-46175.4-74.3-171.1-6.200112Q1352 E1354 A1358 K1359 F1360 I1826Q1352-Q1356 PolarHBondContact O-N 3.14Å; E1354-Q1356 PolarHBondContact O-N 2.84Å; Q1356-A1358 VanDerWaalsContact C-N 3.32Å; Q1356-A1358 PolarHBondContact O-N 3.03Å; Q1356-K1359 PolarHBondContact O-N 3.36Å; Q1356-F1360 WeakPolarHBondContact O-CB 3.23Å; Q1356-F1360 PolarHBondContact O-N 3.21Å; Q1356-I1826 VanDerWaalsContact OE1-CD1 3.27Å
1357K76.9Confident74.7Confident152 Ų15274.2 Ų74.266%0.66134%0.342SS*.Hα-helixtrans-60.2-42.1174.9-72.5178.5178.6-178.10111.9N1353 E1354 F1360 N1361N1353-K1357 WeakPolarHBondContact O-CG 3.43Å; N1353-K1357 PolarHBondContact O-N 2.74Å; E1354-K1357 PolarHBondContact O-N 2.9Å; K1357-F1360 PolarHBondContact O-N 3.43Å; K1357-N1361 WeakPolarHBondContact O-CB 3.23Å; K1357-N1361 VanDerWaalsContact O-CG 3.27Å; K1357-N1361 PolarHBondContact O-N 3.2Å; K1357-N1361 VanDerWaalsContact O-N 3.07Å; K1357-N1361 PolarHBondContact O-ND2 3.39Å
1358A77.5Confident74.8Confident58 Ų5876.6 Ų76.648%0.47935%0.354SS..Hα-helixtrans-61.5-47.4175.700000112.1E1354 Q1355 Q1356 N1361 D1362E1354-A1358 WeakPolarHBondContact O-CB 3.26Å; E1354-A1358 PolarHBondContact O-N 3.45Å; Q1355-A1358 PolarHBondContact O-N 2.8Å; Q1356-A1358 VanDerWaalsContact C-N 3.32Å; Q1356-A1358 PolarHBondContact O-N 3.03Å; A1358-N1361 PolarHBondContact O-N 3.25Å; A1358-D1362 WeakPolarHBondContact O-CB 3.42Å; A1358-D1362 PolarHBondContact O-N 2.73Å
1359K66.9Low75Confident43 Ų4376.7 Ų76.719%0.18736%0.36CS..Hα-helixtrans-62.7-44.1177.4-75.3179.4176.5-172.90112Q1355 Q1356 N1361 D1362 I1363 V1417 D1418 S1419 F1420Q1355-K1359 WeakPolarHBondContact O-CB 3.35Å; Q1355-K1359 WeakPolarHBondContact O-CG 3.39Å; Q1355-K1359 PolarHBondContact O-N 2.59Å; Q1356-K1359 PolarHBondContact O-N 3.36Å; K1359-N1361 PolarHBondContact O-N 2.84Å; K1359-D1362 WeakPolarHBondContact O-CB 3.45Å; K1359-D1362 PolarHBondContact O-N 3.49Å; K1359-I1363 VanDerWaalsContact O-CD1 3.26Å; K1359-I1363 WeakPolarHBondContact O-CD1 3.41Å; K1359-I1363 VanDerWaalsContact O-CG1 3.31Å; K1359-I1363 WeakPolarHBondContact O-CG1 3.28Å; K1359-I1363 PolarHBondContact O-N 2.87Å; K1359-V1417 HydrophobicContact CD-CG1 3.85Å; K1359-V1417 HydrophobicContact CG-CG1 4.46Å; K1359-D1418 PolarHBondContact NZ-O 2.77Å; K1359-S1419 PolarHBondContact NZ-O 2.84Å; K1359-F1420 HydrophobicContact CD-CD1 4.36Å; K1359-F1420 HydrophobicContact CD-CE1 4.34Å
1360F72.8Confident75.1Confident103 Ų10376 Ų7645%0.45236%0.357SS..Hα-helixtrans-60.2-45.7177.6-175.9-93000112.2Q1356 K1357 D1362 I1363 R1364Q1356-F1360 WeakPolarHBondContact O-CB 3.23Å; Q1356-F1360 PolarHBondContact O-N 3.21Å; K1357-F1360 PolarHBondContact O-N 3.43Å; F1360-D1362 VanDerWaalsContact C-N 3.32Å; F1360-D1362 PolarHBondContact O-N 3.12Å; F1360-I1363 PolarHBondContact O-N 2.96Å; F1360-R1364 WeakPolarHBondContact O-CB 3.43Å; F1360-R1364 PolarHBondContact O-N 2.83Å
1361N79.2Confident75.3Confident101 Ų10177.3 Ų77.354%0.5436%0.359SS..Hα-helixtrans-62.8-37.8176.1-71.6-17.2000112.3K1357 A1358 K1359 R1365K1357-N1361 WeakPolarHBondContact O-CB 3.23Å; K1357-N1361 VanDerWaalsContact O-CG 3.27Å; K1357-N1361 PolarHBondContact O-N 3.2Å; K1357-N1361 VanDerWaalsContact O-N 3.07Å; K1357-N1361 PolarHBondContact O-ND2 3.39Å; A1358-N1361 PolarHBondContact O-N 3.25Å; K1359-N1361 PolarHBondContact O-N 2.84Å; N1361-R1365 VanDerWaalsContact O-CB 3.29Å; N1361-R1365 WeakPolarHBondContact O-CB 3.36Å; N1361-R1365 PolarHBondContact O-N 3.08Å
1362D74.6Confident75.7Confident56 Ų5680.1 Ų80.130%0.29937%0.372SS..Hα-helixtrans-66-46.2175.2-179.129.9000112A1358 K1359 F1360 R1364 R1365 R1366A1358-D1362 WeakPolarHBondContact O-CB 3.42Å; A1358-D1362 PolarHBondContact O-N 2.73Å; K1359-D1362 WeakPolarHBondContact O-CB 3.45Å; K1359-D1362 PolarHBondContact O-N 3.49Å; F1360-D1362 VanDerWaalsContact C-N 3.32Å; F1360-D1362 PolarHBondContact O-N 3.12Å; D1362-R1364 VanDerWaalsContact C-N 3.35Å; D1362-R1364 PolarHBondContact O-N 3.28Å; D1362-R1365 PolarHBondContact O-N 3.32Å; D1362-R1366 WeakPolarHBondContact O-CB 3.49Å; D1362-R1366 WeakPolarHBondContact O-CG 3.27Å; D1362-R1366 PolarHBondContact O-N 3.45Å; D1362-R1366 IonicContact OD1-CZ 2.69Å; D1362-R1366 IonicContact OD1-NE 3.49Å; D1362-R1366 PolarHBondContact OD1-NE 3.16Å; D1362-R1366 IonicContact OD1-NH2 2.69Å; D1362-R1366 IonicContact OD2-CZ 3.59Å; D1362-R1366 IonicContact OD2-NE 3.79Å; D1362-R1366 PolarHBondContact OD2-NE 2.97Å; D1362-R1366 IonicContact OD2-NH2 2.65Å; D1362-R1366 PolarHBondContact OD2-NH2 3.38Å
1363I70.6Confident75.8Confident38 Ų3883.4 Ų83.420%0.19538%0.384CS..Hα-helixtrans-60.7-43.4176.4-67.5150.5000111.5K1359 F1360 R1366 T1367 L1956 L2401K1359-I1363 VanDerWaalsContact O-CD1 3.26Å; K1359-I1363 WeakPolarHBondContact O-CD1 3.41Å; K1359-I1363 VanDerWaalsContact O-CG1 3.31Å; K1359-I1363 WeakPolarHBondContact O-CG1 3.28Å; K1359-I1363 PolarHBondContact O-N 2.87Å; F1360-I1363 PolarHBondContact O-N 2.96Å; I1363-R1366 PolarHBondContact O-N 2.82Å; I1363-T1367 PolarHBondContact O-N 2.84Å; I1363-T1367 PolarHBondContact O-OG1 3.34Å; I1363-L1956 HydrophobicContact CD1-CD1 3.63Å; I1363-L1956 HydrophobicContact CD1-CD2 3.35Å; I1363-L1956 HydrophobicContact CD1-CG 4.12Å; I1363-L1956 HydrophobicContact CG1-CD2 4.26Å; I1363-L2401 HydrophobicContact CG2-CD1 4.3Å; I1363-L2401 HydrophobicContact CG2-CG 4.21Å
1364R78.3Confident75.7Confident151 Ų15181.2 Ų81.257%0.5737%0.371SS*.Hα-helixtrans-58.8-52.7174.3178.3176.3172.7170.40.8110.9F1360 D1362 R1366 T1367 E1368F1360-R1364 WeakPolarHBondContact O-CB 3.43Å; F1360-R1364 PolarHBondContact O-N 2.83Å; D1362-R1364 VanDerWaalsContact C-N 3.35Å; D1362-R1364 PolarHBondContact O-N 3.28Å; R1364-R1366 VanDerWaalsContact C-N 3.28Å; R1364-R1366 PolarHBondContact O-N 3.46Å; R1364-T1367 PolarHBondContact O-N 2.94Å; R1364-T1367 VanDerWaalsContact O-N 3.16Å; R1364-E1368 WeakPolarHBondContact CG-OE1 3.35Å; R1364-E1368 IonicContact CZ-OE1 3.68Å; R1364-E1368 IonicContact NE-OE1 2.86Å; R1364-E1368 PolarHBondContact NE-OE1 3.42Å; R1364-E1368 IonicContact NH2-OE1 3.58Å; R1364-E1368 WeakPolarHBondContact O-CG 3.5Å; R1364-E1368 PolarHBondContact O-N 2.87Å
1365R80.7Confident75.8Confident189 Ų18979.1 Ų79.171%0.71336%0.361SS*.Hα-helixtrans-58.4-37.8177.7-174.4-178.9-178.7-169.3-0.8112.4N1361 D1362 A1369N1361-R1365 VanDerWaalsContact O-CB 3.29Å; N1361-R1365 WeakPolarHBondContact O-CB 3.36Å; N1361-R1365 PolarHBondContact O-N 3.08Å; D1362-R1365 PolarHBondContact O-N 3.32Å; R1365-A1369 WeakPolarHBondContact O-CB 3.34Å; R1365-A1369 PolarHBondContact O-N 3.17Å
1366R71.2Confident76.1Confident64 Ų6480.2 Ų80.224%0.24237%0.365CS..Hα-helixtrans-66.8-45.5175.4-72.6170.7-170.1-150.25.4111.8D1362 I1363 R1364 E1368 A1369 I1370 L2401D1362-R1366 WeakPolarHBondContact O-CB 3.49Å; D1362-R1366 WeakPolarHBondContact O-CG 3.27Å; D1362-R1366 PolarHBondContact O-N 3.45Å; D1362-R1366 IonicContact OD1-CZ 2.69Å; D1362-R1366 IonicContact OD1-NE 3.49Å; D1362-R1366 PolarHBondContact OD1-NE 3.16Å; D1362-R1366 IonicContact OD1-NH2 2.69Å; D1362-R1366 IonicContact OD2-CZ 3.59Å; D1362-R1366 IonicContact OD2-NE 3.79Å; D1362-R1366 PolarHBondContact OD2-NE 2.97Å; D1362-R1366 IonicContact OD2-NH2 2.65Å; D1362-R1366 PolarHBondContact OD2-NH2 3.38Å; I1363-R1366 PolarHBondContact O-N 2.82Å; R1364-R1366 VanDerWaalsContact C-N 3.28Å; R1364-R1366 PolarHBondContact O-N 3.46Å; R1366-E1368 PolarHBondContact O-N 3.39Å; R1366-A1369 CarbonylContact O-C 3.48Å; R1366-A1369 PolarHBondContact O-N 3.16Å; R1366-I1370 VanDerWaalsContact O-CG1 3.23Å; R1366-I1370 WeakPolarHBondContact O-CG1 3.48Å; R1366-I1370 PolarHBondContact O-N 3.08Å; R1366-L2401 HydrophobicContact CB-CD1 4.37Å
1367T76.1Confident76.3Confident16 Ų1679.4 Ų79.410%0.09836%0.361CS..Hα-helixtrans-59.8-47.9177.3-46.80000110.7I1363 R1364 A1369 I1370 R1371 L2401 A2405I1363-T1367 PolarHBondContact O-N 2.84Å; I1363-T1367 PolarHBondContact O-OG1 3.34Å; R1364-T1367 PolarHBondContact O-N 2.94Å; R1364-T1367 VanDerWaalsContact O-N 3.16Å; T1367-A1369 PolarHBondContact O-N 3.26Å; T1367-I1370 PolarHBondContact O-N 2.89Å; T1367-R1371 PolarHBondContact O-N 3.32Å; T1367-L2401 VanDerWaalsContact OG1-CD2 3.24Å; T1367-L2401 WeakPolarHBondContact OG1-CD2 3.41Å; T1367-A2405 HydrophobicContact CG2-CB 3.8Å
1368E82.3Confident76Confident86 Ų8674.1 Ų74.140%0.40234%0.339SS..Hα-helixtrans-58.6-45.3175-69.4166.7179.200110.9R1364 R1366 I1370 R1371 E1372R1364-E1368 WeakPolarHBondContact CG-OE1 3.35Å; R1364-E1368 IonicContact CZ-OE1 3.68Å; R1364-E1368 IonicContact NE-OE1 2.86Å; R1364-E1368 PolarHBondContact NE-OE1 3.42Å; R1364-E1368 IonicContact NH2-OE1 3.58Å; R1364-E1368 WeakPolarHBondContact O-CG 3.5Å; R1364-E1368 PolarHBondContact O-N 2.87Å; R1366-E1368 PolarHBondContact O-N 3.39Å; E1368-I1370 PolarHBondContact O-N 2.79Å; E1368-R1371 PolarHBondContact O-N 3Å; E1368-E1372 PolarHBondContact O-N 3.21Å
1369A80.1Confident75.9Confident34 Ų3477 Ų7728%0.28134%0.343SS..Hα-helixtrans-70.1-26.8177.700000115R1365 R1366 T1367 R1373R1365-A1369 WeakPolarHBondContact O-CB 3.34Å; R1365-A1369 PolarHBondContact O-N 3.17Å; R1366-A1369 CarbonylContact O-C 3.48Å; R1366-A1369 PolarHBondContact O-N 3.16Å; T1367-A1369 PolarHBondContact O-N 3.26Å; A1369-R1373 WeakPolarHBondContact O-CB 3.33Å; A1369-R1373 WeakPolarHBondContact O-CG 3.28Å; A1369-R1373 PolarHBondContact O-N 3.4Å; A1369-R1373 PolarHBondContact O-NE 3.02Å
1370I74.2Confident76.1Confident10 Ų1084.6 Ų84.65%0.05137%0.37CS..Hα-helixtrans-73.1-45.5171.8-64.6159.1000109R1366 T1367 E1368 E1372 R1373 Y1374 D2398 L2401 L2410 L2414R1366-I1370 VanDerWaalsContact O-CG1 3.23Å; R1366-I1370 WeakPolarHBondContact O-CG1 3.48Å; R1366-I1370 PolarHBondContact O-N 3.08Å; T1367-I1370 PolarHBondContact O-N 2.89Å; E1368-I1370 PolarHBondContact O-N 2.79Å; I1370-E1372 PolarHBondContact O-N 3.32Å; I1370-R1373 PolarHBondContact O-N 3.3Å; I1370-Y1374 PolarHBondContact O-N 2.91Å; I1370-D2398 HydrophobicContact CD1-CB 4.05Å; I1370-L2401 HydrophobicContact CD1-CD2 4.2Å; I1370-L2410 HydrophobicContact CB-CD2 4.5Å; I1370-L2410 HydrophobicContact CG2-CD1 4.3Å; I1370-L2410 HydrophobicContact CG2-CD2 3.93Å; I1370-L2410 HydrophobicContact CG2-CG 4.41Å; I1370-L2414 HydrophobicContact CG2-CD1 4.18Å
1371R81.6Confident75.9Confident138 Ų13879.7 Ų79.752%0.52135%0.349SS..Hα-helixtrans-58.5-46.5176.3-172.6-176-75.7169.7-7.7111.6T1367 E1368 R1373 Y1374 Q1375 D2407 L2410T1367-R1371 PolarHBondContact O-N 3.32Å; E1368-R1371 PolarHBondContact O-N 3Å; R1371-R1373 PolarHBondContact O-N 2.93Å; R1371-Y1374 PolarHBondContact O-N 2.94Å; R1371-Q1375 WeakPolarHBondContact O-CB 3.34Å; R1371-Q1375 PolarHBondContact O-N 3.3Å; R1371-D2407 IonicContact CZ-OD2 3.28Å; R1371-D2407 VanDerWaalsContact CZ-OD2 3.28Å; R1371-D2407 IonicContact NE-OD2 3.03Å; R1371-D2407 PolarHBondContact NE-OD2 2.89Å; R1371-D2407 IonicContact NH2-OD2 2.69Å; R1371-D2407 PolarHBondContact NH2-OD2 3.22Å; R1371-L2410 HydrophobicContact CB-CD2 4.33Å
1372E83.1Confident75.2Confident108 Ų10877.8 Ų77.851%0.50535%0.347SS..Hα-helixtrans-59.6-44.8173.6-82.3-166.2-149.700113.3E1368 I1370 Y1374 Q1375 K1376E1368-E1372 PolarHBondContact O-N 3.21Å; I1370-E1372 PolarHBondContact O-N 3.32Å; E1372-Y1374 VanDerWaalsContact C-N 3.33Å; E1372-Y1374 PolarHBondContact O-N 3.31Å; E1372-Q1375 PolarHBondContact O-N 2.94Å; E1372-K1376 WeakPolarHBondContact O-CB 3.42Å; E1372-K1376 WeakPolarHBondContact O-CD 3.42Å; E1372-K1376 VanDerWaalsContact O-CG 3.28Å; E1372-K1376 WeakPolarHBondContact O-CG 3.48Å; E1372-K1376 PolarHBondContact O-N 3.4Å; E1372-K1376 IonicContact OE2-NZ 2.73Å; E1372-K1376 PolarHBondContact OE2-NZ 2.8Å
1373R75.1Confident74.9Confident79 Ų7980 Ų8030%0.29837%0.373SS..Hα-helixtrans-63.3-40.4178.8-86.2179-76.9-159.3-6.6111.5A1369 I1370 R1371 K1376 Q1377 D1411A1369-R1373 WeakPolarHBondContact O-CB 3.33Å; A1369-R1373 WeakPolarHBondContact O-CG 3.28Å; A1369-R1373 PolarHBondContact O-N 3.4Å; A1369-R1373 PolarHBondContact O-NE 3.02Å; I1370-R1373 PolarHBondContact O-N 3.3Å; R1371-R1373 PolarHBondContact O-N 2.93Å; R1373-K1376 PolarHBondContact O-N 3.46Å; R1373-Q1377 WeakPolarHBondContact O-CG 3.39Å; R1373-Q1377 PolarHBondContact O-N 3.49Å; R1373-D1411 VanDerWaalsContact CD-OD1 3.25Å; R1373-D1411 WeakPolarHBondContact CD-OD1 3.34Å; R1373-D1411 IonicContact CZ-OD1 3.89Å; R1373-D1411 IonicContact NE-OD1 3.08Å; R1373-D1411 IonicContact NH1-OD1 3.89Å; R1373-D1411 PolarHBondContact NH1-OD1 3.13Å
1374Y72.6Confident74.5Confident21 Ų2183.1 Ų83.18%0.08239%0.387CS..Hα-helixtrans-68.6-43.3177.8-164.8-102.7000111.7I1370 R1371 E1372 K1376 Q1377 I1378 M1403 L2410 D2413I1370-Y1374 PolarHBondContact O-N 2.91Å; R1371-Y1374 PolarHBondContact O-N 2.94Å; E1372-Y1374 VanDerWaalsContact C-N 3.33Å; E1372-Y1374 PolarHBondContact O-N 3.31Å; Y1374-K1376 VanDerWaalsContact C-N 3.34Å; Y1374-K1376 PolarHBondContact O-N 3.14Å; Y1374-Q1377 CarbonylContact O-C 3.57Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.22Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.1Å; Y1374-Q1377 PolarHBondContact O-N 3.29Å; Y1374-I1378 HydrophobicContact CD1-CD1 3.7Å; Y1374-I1378 HydrophobicContact CD1-CG1 4.12Å; Y1374-I1378 HydrophobicContact CE1-CD1 3.58Å; Y1374-I1378 HydrophobicContact CE1-CG1 3.83Å; Y1374-I1378 PolarHBondContact O-N 3.07Å; Y1374-M1403 HydrophobicContact CE2-CE 3.89Å; Y1374-L2410 HydrophobicContact CD1-CD1 4.12Å; Y1374-L2410 HydrophobicContact CD2-CD1 4.5Å; Y1374-L2410 HydrophobicContact CG-CD1 3.88Å; Y1374-D2413 HydrophobicContact CE1-CB 3.72Å; Y1374-D2413 WeakPolarHBondContact CE1-OD2 3.4Å; Y1374-D2413 HydrophobicContact CE2-CB 4.01Å; Y1374-D2413 VanDerWaalsContact CZ-CB 3.45Å; Y1374-D2413 WeakPolarHBondContact OH-CB 3.5Å
1375Q79.5Confident73.7Confident91 Ų9179.7 Ų79.743%0.42537%0.374SS..Hα-helixtrans-58.8-43.1174-172.662.424.500112.2R1371 E1372 Q1377 I1378 E1379R1371-Q1375 WeakPolarHBondContact O-CB 3.34Å; R1371-Q1375 PolarHBondContact O-N 3.3Å; E1372-Q1375 PolarHBondContact O-N 2.94Å; Q1375-Q1377 VanDerWaalsContact C-N 3.27Å; Q1375-Q1377 PolarHBondContact O-N 2.9Å; Q1375-I1378 WeakPolarHBondContact O-CB 3.47Å; Q1375-I1378 PolarHBondContact O-N 3.2Å; Q1375-E1379 WeakPolarHBondContact CG-OE1 3.37Å; Q1375-E1379 PolarHBondContact NE2-OE1 3.14Å; Q1375-E1379 WeakPolarHBondContact O-CG 3.43Å; Q1375-E1379 PolarHBondContact O-N 2.88Å
1376K77.5Confident72.8Confident102 Ų10278.9 Ų78.944%0.44338%0.384SS..Hα-helixtrans-65.2-27.2173.8-70.8161.8-177.2162.20112.9E1372 R1373 Y1374 R1380E1372-K1376 WeakPolarHBondContact O-CB 3.42Å; E1372-K1376 WeakPolarHBondContact O-CD 3.42Å; E1372-K1376 VanDerWaalsContact O-CG 3.28Å; E1372-K1376 WeakPolarHBondContact O-CG 3.48Å; E1372-K1376 PolarHBondContact O-N 3.4Å; E1372-K1376 IonicContact OE2-NZ 2.73Å; E1372-K1376 PolarHBondContact OE2-NZ 2.8Å; R1373-K1376 PolarHBondContact O-N 3.46Å; Y1374-K1376 VanDerWaalsContact C-N 3.34Å; Y1374-K1376 PolarHBondContact O-N 3.14Å; K1376-R1380 WeakPolarHBondContact O-CB 3.35Å; K1376-R1380 VanDerWaalsContact O-CG 3.27Å; K1376-R1380 WeakPolarHBondContact O-CG 3.45Å; K1376-R1380 PolarHBondContact O-N 3.33Å
1377Q72.3Confident72.7Confident27 Ų2781.8 Ų81.813%0.12640%0.398CS..Hα-helixtrans-76.2-39172.7-73.9167.528.700111.7R1373 Y1374 Q1375 G1381 Y1406 K2417R1373-Q1377 WeakPolarHBondContact O-CG 3.39Å; R1373-Q1377 PolarHBondContact O-N 3.49Å; Y1374-Q1377 CarbonylContact O-C 3.57Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.22Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.1Å; Y1374-Q1377 PolarHBondContact O-N 3.29Å; Q1375-Q1377 VanDerWaalsContact C-N 3.27Å; Q1375-Q1377 PolarHBondContact O-N 2.9Å; Q1377-G1381 PolarHBondContact O-N 2.83Å; Q1377-Y1406 VanDerWaalsContact NE2-CE1 3.31Å; Q1377-K2417 VanDerWaalsContact OE1-NZ 3.09Å
1378I69.3Low72.4Confident42 Ų4288.5 Ų88.522%0.21543%0.429CS..Hα-helixtrans-56.1-53.1170.4-71.1167.7000110.2Y1374 Q1375 R1380 G1381 A1382Y1374-I1378 HydrophobicContact CD1-CD1 3.7Å; Y1374-I1378 HydrophobicContact CD1-CG1 4.12Å; Y1374-I1378 HydrophobicContact CE1-CD1 3.58Å; Y1374-I1378 HydrophobicContact CE1-CG1 3.83Å; Y1374-I1378 PolarHBondContact O-N 3.07Å; Q1375-I1378 WeakPolarHBondContact O-CB 3.47Å; Q1375-I1378 PolarHBondContact O-N 3.2Å; I1378-R1380 PolarHBondContact O-N 2.91Å; I1378-G1381 CarbonylContact O-C 3.57Å; I1378-G1381 PolarHBondContact O-N 3.48Å; I1378-A1382 PolarHBondContact O-N 3.22Å
1379E76.6Confident72Confident117 Ų11786.3 Ų86.355%0.54742%0.422SS..Hα-helixtrans-63.4-40.9-175.9-72.9165-170.100112.6Q1375 A1382Q1375-E1379 WeakPolarHBondContact CG-OE1 3.37Å; Q1375-E1379 PolarHBondContact NE2-OE1 3.14Å; Q1375-E1379 WeakPolarHBondContact O-CG 3.43Å; Q1375-E1379 PolarHBondContact O-N 2.88Å; E1379-A1382 WeakPolarHBondContact O-CB 2.94Å; E1379-A1382 PolarHBondContact O-N 2.81Å
1380R70.1Confident72Confident203 Ų20390.9 Ų90.977%0.76645%0.446SS*.Hα-helixtrans-68.7-34.4174.7-72.7174.8-178.6-171.30.6113K1376 I1378K1376-R1380 WeakPolarHBondContact O-CB 3.35Å; K1376-R1380 VanDerWaalsContact O-CG 3.27Å; K1376-R1380 WeakPolarHBondContact O-CG 3.45Å; K1376-R1380 PolarHBondContact O-N 3.33Å; I1378-R1380 PolarHBondContact O-N 2.91Å
1381G68.5Low72.4Confident0 Ų093.7 Ų93.70%046%0.464CS..Hα-helixtrans-79.7-12.317800000114.4Q1377 I1378 A1383 E1384 R1385Q1377-G1381 PolarHBondContact O-N 2.83Å; I1378-G1381 CarbonylContact O-C 3.57Å; I1378-G1381 PolarHBondContact O-N 3.48Å; G1381-A1383 PolarHBondContact O-N 3.01Å; G1381-E1384 PolarHBondContact O-N 3.19Å; G1381-R1385 WeakPolarHBondContact O-CG 3.4Å; G1381-R1385 PolarHBondContact O-N 3.09Å
1382A65.5Low72.5Confident62 Ų6289.7 Ų89.751%0.51245%0.449SS..THydrogen-bonded Turntrans-58.6-24.7-173.800000114.4I1378 E1379I1378-A1382 PolarHBondContact O-N 3.22Å; E1379-A1382 WeakPolarHBondContact O-CB 2.94Å; E1379-A1382 PolarHBondContact O-N 2.81Å
1383A67.1Low72.5Confident102 Ų10285.6 Ų85.684%0.84344%0.436SS*.THydrogen-bonded Turntrans-80-14.1174.900000114.5G1381G1381-A1383 PolarHBondContact O-N 3.01Å
1384E63.4Low73Confident103 Ų10385.2 Ų85.248%0.48144%0.437SS..SBendtrans-110.76.3179.1-63.6-177.4155.100112G1381 Y1402 K1405G1381-E1384 PolarHBondContact O-N 3.19Å; E1384-Y1402 WeakPolarHBondContact OE2-CB 3.4Å; E1384-K1405 IonicContact OE1-NZ 2.71Å; E1384-K1405 PolarHBondContact OE1-NZ 3.17Å; E1384-K1405 IonicContact OE2-NZ 2.67Å; E1384-K1405 PolarHBondContact OE2-NZ 3.31Å
1385R60.1Low73.5Confident79 Ų7984.5 Ų84.530%0.29844%0.435SS..  trans-98.3106.1-175.9-80.6178.3175.3-152.7-6.4113.3G1381 Y1402G1381-R1385 WeakPolarHBondContact O-CG 3.4Å; G1381-R1385 PolarHBondContact O-N 3.09Å; R1385-Y1402 HydrophobicContact CG-CE1 4.37Å; R1385-Y1402 PolarHBondContact NE-OH 3.29Å; R1385-Y1402 PolarHBondContact NH2-OH 2.86Å
1386D62.4Low73.7Confident172 Ų17283.2 Ų83.292%0.9243%0.428SS*.SBendtrans-85.5-8.9169.3-72.1-27.3000114.1
1387F68.3Low73.9Confident125 Ų12587 Ų8755%0.54844%0.44SS..  trans-150128.1-168.8-173.9-113000113.9H1394F1387-H1394 HydrophobicContact CE1-CB 3.78Å; F1387-H1394 AromaticContact CE1-CG 3.76Å; F1387-H1394 AromaticContact CE1-ND1 3.94Å; F1387-H1394 HydrophobicContact CZ-CB 4.18Å; F1387-H1394 AromaticContact CZ-CE1 3.71Å; F1387-H1394 AromaticContact CZ-CG 3.65Å; F1387-H1394 AromaticContact CZ-ND1 3.42Å; F1387-H1394 WeakPolarHBondContact CZ-ND1 3.36Å
1388E71.1Confident74.3Confident157 Ų15787.1 Ų87.173%0.73445%0.446SS*.  trans-100.5126.9175.7-170.5172.2-160.600111.4V1390E1388-V1390 PolarHBondContact O-N 3.14Å
1389P72.8Confident74.8Confident41 Ų4185.7 Ų85.727%0.26644%0.441SS..  trans-81.390.2-172.230.3-34.6000114.3T1391 H1394 A1395 A1398P1389-T1391 VanDerWaalsContact C-N 3.32Å; P1389-T1391 PolarHBondContact O-N 3.38Å; P1389-H1394 HydrophobicContact CB-CB 3.69Å; P1389-A1395 VanDerWaalsContact CB-CA 3.46Å; P1389-A1395 HydrophobicContact CB-CB 4.01Å; P1389-A1395 VanDerWaalsContact CB-N 3.3Å; P1389-A1395 HydrophobicContact CG-CB 4.46Å; P1389-A1398 HydrophobicContact CB-CB 4.08Å; P1389-A1398 HydrophobicContact CG-CB 4.04Å
1390V80.8Confident74.9Confident129 Ų12982.7 Ų82.778%0.78243%0.429SS*.  trans-70.7-19.8177.7-172.10000114.4E1388E1388-V1390 PolarHBondContact O-N 3.14Å
1391T83.1Confident75.5Confident69 Ų6978.9 Ų78.942%0.42342%0.415SS..SBendtrans-125154.7-177.2730000111.6P1389 G1393 H1394 A1395P1389-T1391 VanDerWaalsContact C-N 3.32Å; P1389-T1391 PolarHBondContact O-N 3.38Å; T1391-G1393 PolarHBondContact O-N 3.44Å; T1391-G1393 VanDerWaalsContact O-N 3.14Å; T1391-H1394 CarbonylContact O-C 3.49Å; T1391-H1394 WeakPolarHBondContact O-CA 3.14Å; T1391-H1394 WeakPolarHBondContact O-CB 3.29Å; T1391-H1394 PolarHBondContact O-N 3.4Å; T1391-H1394 PolarHBondContact OG1-CD2 3.44Å; T1391-H1394 VanDerWaalsContact OG1-CD2 3.26Å; T1391-H1394 PolarHBondContact OG1-N 2.84Å; T1391-A1395 PolarHBondContact O-N 3.02Å
1392Y84.1Confident76Confident55 Ų5580.1 Ų80.122%0.21642%0.42CS..Hα-helixtrans-50.7-40.2173.6175.8-96.8000112.5H1394 A1395 K1396 P2000 D2003 Q2412Y1392-H1394 VanDerWaalsContact C-N 3.28Å; Y1392-H1394 PolarHBondContact O-N 3.4Å; Y1392-A1395 PolarHBondContact O-N 3.28Å; Y1392-K1396 HydrophobicContact CE1-CD 4.13Å; Y1392-K1396 VanDerWaalsContact O-CB 3.27Å; Y1392-K1396 WeakPolarHBondContact O-CB 3.48Å; Y1392-K1396 PolarHBondContact O-N 2.99Å; Y1392-P2000 HydrophobicContact CD1-CG 4.34Å; Y1392-P2000 HydrophobicContact CE1-CG 3.56Å; Y1392-P2000 WeakPolarHBondContact OH-CD 3.49Å; Y1392-D2003 WeakPolarHBondContact CE1-OD2 3.43Å; Y1392-D2003 WeakPolarHBondContact OH-CB 3.19Å; Y1392-D2003 VanDerWaalsContact OH-CG 3.3Å; Y1392-D2003 PolarHBondContact OH-OD2 3.02Å; Y1392-Q2412 HydrophobicContact CD2-CG 3.92Å; Y1392-Q2412 HydrophobicContact CE2-CG 4.03Å
1393G83.2Confident76.5Confident22 Ų2277.3 Ų77.323%0.22740%0.397CS..Hα-helixtrans-67.6-25.5176.600000114.1T1391 R1397T1391-G1393 PolarHBondContact O-N 3.44Å; T1391-G1393 VanDerWaalsContact O-N 3.14Å; G1393-R1397 WeakPolarHBondContact O-CG 3.25Å; G1393-R1397 PolarHBondContact O-NH1 3.3Å
1394H85.4Confident77Confident71 Ų7173.5 Ų73.533%0.32936%0.361SS..Hα-helixtrans-78.7-48.5170.1-62.5174.6000110.5F1387 P1389 T1391 Y1392 K1396 R1397 A1398F1387-H1394 HydrophobicContact CE1-CB 3.78Å; F1387-H1394 AromaticContact CE1-CG 3.76Å; F1387-H1394 AromaticContact CE1-ND1 3.94Å; F1387-H1394 HydrophobicContact CZ-CB 4.18Å; F1387-H1394 AromaticContact CZ-CE1 3.71Å; F1387-H1394 AromaticContact CZ-CG 3.65Å; F1387-H1394 AromaticContact CZ-ND1 3.42Å; F1387-H1394 WeakPolarHBondContact CZ-ND1 3.36Å; P1389-H1394 HydrophobicContact CB-CB 3.69Å; T1391-H1394 CarbonylContact O-C 3.49Å; T1391-H1394 WeakPolarHBondContact O-CA 3.14Å; T1391-H1394 WeakPolarHBondContact O-CB 3.29Å; T1391-H1394 PolarHBondContact O-N 3.4Å; T1391-H1394 PolarHBondContact OG1-CD2 3.44Å; T1391-H1394 VanDerWaalsContact OG1-CD2 3.26Å; T1391-H1394 PolarHBondContact OG1-N 2.84Å; Y1392-H1394 VanDerWaalsContact C-N 3.28Å; Y1392-H1394 PolarHBondContact O-N 3.4Å; H1394-K1396 PolarHBondContact O-N 2.92Å; H1394-R1397 CarbonylContact O-C 3.56Å; H1394-R1397 WeakPolarHBondContact O-CA 3.43Å; H1394-R1397 PolarHBondContact O-N 2.83Å; H1394-A1398 WeakPolarHBondContact O-CB 3.32Å; H1394-A1398 PolarHBondContact O-N 3.34Å
1395A81.5Confident77.4Confident5 Ų575 Ų754%0.04137%0.366CS..Hα-helixtrans-56.1-49.5-178.800000111.4P1389 T1391 Y1392 R1397 A1398 A2416P1389-A1395 VanDerWaalsContact CB-CA 3.46Å; P1389-A1395 HydrophobicContact CB-CB 4.01Å; P1389-A1395 VanDerWaalsContact CB-N 3.3Å; P1389-A1395 HydrophobicContact CG-CB 4.46Å; T1391-A1395 PolarHBondContact O-N 3.02Å; Y1392-A1395 PolarHBondContact O-N 3.28Å; A1395-R1397 PolarHBondContact O-N 3.03Å; A1395-A1398 PolarHBondContact O-N 3.24Å; A1395-A2416 WeakPolarHBondContact O-CB 3.39Å
1396K84.4Confident78Confident64 Ų6473.3 Ų73.328%0.27836%0.36SS..THydrogen-bonded Turntrans-53-25.9173.5-177.5176.5-177.3176.50114.6Y1392 H1394 D2003 I2419Y1392-K1396 HydrophobicContact CE1-CD 4.13Å; Y1392-K1396 VanDerWaalsContact O-CB 3.27Å; Y1392-K1396 WeakPolarHBondContact O-CB 3.48Å; Y1392-K1396 PolarHBondContact O-N 2.99Å; H1394-K1396 PolarHBondContact O-N 2.92Å; K1396-D2003 WeakPolarHBondContact CE-OD1 3.41Å; K1396-D2003 WeakPolarHBondContact CE-OD2 3.42Å; K1396-D2003 IonicContact NZ-OD1 2.95Å; K1396-D2003 PolarHBondContact NZ-OD1 2.95Å; K1396-D2003 IonicContact NZ-OD2 2.73Å; K1396-D2003 PolarHBondContact NZ-OD2 3.32Å; K1396-I2419 HydrophobicContact CD-CD1 4.47Å; K1396-I2419 HydrophobicContact CG-CD1 4.01Å
1397R82.9Confident78.2Confident182 Ų18269 Ų6969%0.68734%0.336SS*.THydrogen-bonded Turntrans-104.9-8.5-178.6-67-176.9-179.295.1-9.3113.9G1393 H1394 A1395 G1399G1393-R1397 WeakPolarHBondContact O-CG 3.25Å; G1393-R1397 PolarHBondContact O-NH1 3.3Å; H1394-R1397 CarbonylContact O-C 3.56Å; H1394-R1397 WeakPolarHBondContact O-CA 3.43Å; H1394-R1397 PolarHBondContact O-N 2.83Å; A1395-R1397 PolarHBondContact O-N 3.03Å; R1397-G1399 PolarHBondContact O-N 2.98Å
1398A80.6Confident78.1Confident30 Ų3064 Ų6425%0.24832%0.317CS..  trans-81.35.9-175.600000114.3P1389 H1394 A1395P1389-A1398 HydrophobicContact CB-CB 4.08Å; P1389-A1398 HydrophobicContact CG-CB 4.04Å; H1394-A1398 WeakPolarHBondContact O-CB 3.32Å; H1394-A1398 PolarHBondContact O-N 3.34Å; A1395-A1398 PolarHBondContact O-N 3.24Å
1399G78.4Confident77.6Confident11 Ų1161.8 Ų61.811%0.11331%0.306CS..  trans-66.1134.3172.600000111.7R1397 F2420R1397-G1399 PolarHBondContact O-N 2.98Å; G1399-F2420 WeakPolarHBondContact O-CD2 3.44Å; G1399-F2420 VanDerWaalsContact O-CE2 3.26Å; G1399-F2420 WeakPolarHBondContact O-CE2 3.21Å
1400D79.6Confident77.2Confident55 Ų5566.1 Ų66.129%0.29433%0.327SS..  trans-153.1166-177.4-174.432.5000112.1Y1402 M1403 F1404D1400-Y1402 VanDerWaalsContact C-N 3.26Å; D1400-Y1402 HydrophobicContact CB-CD1 3.85Å; D1400-Y1402 HydrophobicContact CB-CE1 3.76Å; D1400-Y1402 PolarHBondContact O-N 3.3Å; D1400-Y1402 VanDerWaalsContact O-N 3.16Å; D1400-Y1402 WeakPolarHBondContact OD2-CD1 3.4Å; D1400-M1403 WeakPolarHBondContact O-CB 3.37Å; D1400-M1403 WeakPolarHBondContact O-CG 3.48Å; D1400-M1403 PolarHBondContact O-N 3.16Å; D1400-M1403 VanDerWaalsContact O-N 3.12Å; D1400-F1404 WeakPolarHBondContact O-CE2 3.43Å
1401Y81.6Confident76.2Confident123 Ų12361 Ų6148%0.48230%0.296SS..G310 helixtrans-55.9-32.6-172.6-67.4-78.9000114.2M1403 F1404 K1405 F2420 T2427Y1401-M1403 PolarHBondContact O-N 3.49Å; Y1401-M1403 VanDerWaalsContact O-N 3.14Å; Y1401-F1404 PolarHBondContact O-N 3.07Å; Y1401-K1405 PolarHBondContact O-N 2.96Å; Y1401-F2420 HydrophobicContact CD1-CE1 4.09Å; Y1401-F2420 HydrophobicContact CD1-CZ 4.06Å; Y1401-F2420 AromaticContact CD2-CZ 3.92Å; Y1401-F2420 HydrophobicContact CD2-CZ 3.92Å; Y1401-F2420 HydrophobicContact CE1-CE1 4.21Å; Y1401-F2420 HydrophobicContact CE1-CZ 4.05Å; Y1401-F2420 AromaticContact CE2-CZ 3.91Å; Y1401-F2420 HydrophobicContact CE2-CZ 3.91Å; Y1401-F2420 HydrophobicContact CG-CE1 4.33Å; Y1401-F2420 AromaticContact CG-CZ 3.99Å; Y1401-F2420 HydrophobicContact CG-CZ 3.99Å; Y1401-F2420 AromaticContact CZ-CZ 3.97Å; Y1401-T2427 HydrophobicContact CD1-CG2 3.7Å; Y1401-T2427 HydrophobicContact CE1-CG2 3.81Å
1402Y80.6Confident75Confident26 Ų2664.3 Ų64.310%0.10231%0.311CS..G310 helixtrans-59.2-27.2179.774.4-96.6000113.3E1384 R1385 D1400 F1404 K1405E1384-Y1402 WeakPolarHBondContact OE2-CB 3.4Å; R1385-Y1402 HydrophobicContact CG-CE1 4.37Å; R1385-Y1402 PolarHBondContact NE-OH 3.29Å; R1385-Y1402 PolarHBondContact NH2-OH 2.86Å; D1400-Y1402 VanDerWaalsContact C-N 3.26Å; D1400-Y1402 HydrophobicContact CB-CD1 3.85Å; D1400-Y1402 HydrophobicContact CB-CE1 3.76Å; D1400-Y1402 PolarHBondContact O-N 3.3Å; D1400-Y1402 VanDerWaalsContact O-N 3.16Å; D1400-Y1402 WeakPolarHBondContact OD2-CD1 3.4Å; Y1402-F1404 PolarHBondContact O-N 3.24Å; Y1402-F1404 VanDerWaalsContact O-N 3.11Å; Y1402-K1405 PolarHBondContact O-N 2.91Å
1403M75.3Confident73.4Confident3 Ų366 Ų662%0.01532%0.323CS..G310 helixtrans-67.2-9.6177.8-56.8177.378.500113.7Y1374 D1400 Y1401 Y1406 K2417Y1374-M1403 HydrophobicContact CE2-CE 3.89Å; D1400-M1403 WeakPolarHBondContact O-CB 3.37Å; D1400-M1403 WeakPolarHBondContact O-CG 3.48Å; D1400-M1403 PolarHBondContact O-N 3.16Å; D1400-M1403 VanDerWaalsContact O-N 3.12Å; Y1401-M1403 PolarHBondContact O-N 3.49Å; Y1401-M1403 VanDerWaalsContact O-N 3.14Å; M1403-Y1406 WeakPolarHBondContact O-CE1 3.46Å; M1403-K2417 HydrophobicContact CE-CB 3.67Å; M1403-K2417 HydrophobicContact CE-CD 4.26Å; M1403-K2417 HydrophobicContact CE-CG 3.98Å; M1403-K2417 WeakPolarHBondContact O-CE 3.32Å; M1403-K2417 PolarHBondContact O-NZ 2.99Å
1404F77.1Confident71.9Confident21 Ų2167.4 Ų67.49%0.09233%0.327CS..G310 helixtrans-123.1-0.6-177.3-47.4-83.8000113.2D1400 Y1401 Y1402 Y1406 K2417 F2420 L2421D1400-F1404 WeakPolarHBondContact O-CE2 3.43Å; Y1401-F1404 PolarHBondContact O-N 3.07Å; Y1402-F1404 PolarHBondContact O-N 3.24Å; Y1402-F1404 VanDerWaalsContact O-N 3.11Å; F1404-Y1406 PolarHBondContact O-N 2.92Å; F1404-K2417 HydrophobicContact CE1-CD 4.35Å; F1404-K2417 HydrophobicContact CE1-CG 3.54Å; F1404-K2417 HydrophobicContact CZ-CG 3.59Å; F1404-K2417 WeakPolarHBondContact CZ-O 3.49Å; F1404-F2420 HydrophobicContact CD2-CD1 4.04Å; F1404-F2420 HydrophobicContact CD2-CE1 4.13Å; F1404-F2420 HydrophobicContact CE2-CB 4.36Å; F1404-F2420 AromaticContact CE2-CD1 3.23Å; F1404-F2420 HydrophobicContact CE2-CD1 3.23Å; F1404-F2420 AromaticContact CE2-CE1 3.75Å; F1404-F2420 HydrophobicContact CE2-CE1 3.75Å; F1404-F2420 HydrophobicContact CE2-CG 4.07Å; F1404-F2420 HydrophobicContact CZ-CB 4.31Å; F1404-F2420 AromaticContact CZ-CD1 3.82Å; F1404-F2420 HydrophobicContact CZ-CD1 3.82Å; F1404-F2420 HydrophobicContact CZ-CG 4.47Å; F1404-L2421 HydrophobicContact CD1-CD1 4.03Å; F1404-L2421 HydrophobicContact CE1-CB 3.97Å; F1404-L2421 HydrophobicContact CE1-CD1 3.73Å; F1404-L2421 HydrophobicContact CE1-CG 4.2Å; F1404-L2421 HydrophobicContact CZ-CB 4.16Å
1405K71.6Confident70.3Confident134 Ų13471.9 Ų71.958%0.58335%0.348SS*.  trans-72.734.6178.2-68.6179.2-175.3166.60113.6E1384 Y1401 Y1402E1384-K1405 IonicContact OE1-NZ 2.71Å; E1384-K1405 PolarHBondContact OE1-NZ 3.17Å; E1384-K1405 IonicContact OE2-NZ 2.67Å; E1384-K1405 PolarHBondContact OE2-NZ 3.31Å; Y1401-K1405 PolarHBondContact O-N 2.96Å; Y1402-K1405 PolarHBondContact O-N 2.91Å
1406Y73.4Confident68.7Low45 Ų4574.1 Ų74.118%0.17636%0.362CS..SBendtrans-135.8144.1176.975.6-89.7000110.8Q1377 M1403 F1404 P1408 D1411 K2417Q1377-Y1406 VanDerWaalsContact NE2-CE1 3.31Å; M1403-Y1406 WeakPolarHBondContact O-CE1 3.46Å; F1404-Y1406 PolarHBondContact O-N 2.92Å; Y1406-P1408 WeakPolarHBondContact O-CD 3.42Å; Y1406-D1411 WeakPolarHBondContact CE2-OD2 3.45Å; Y1406-D1411 PolarHBondContact OH-OD2 3.4Å; Y1406-K2417 PolarHBondContact OH-NZ 2.8Å
1407D66.5Low66.7Low80 Ų8074.3 Ų74.343%0.42837%0.369SS..  trans-64.6120.9179.1-89.1-52.4000110.4E1409 N1410 K2438D1407-E1409 PolarHBondContact O-N 3.28Å; D1407-E1409 VanDerWaalsContact O-N 3.14Å; D1407-N1410 PolarHBondContact O-N 2.73Å; D1407-K2438 IonicContact OD1-NZ 3.12Å; D1407-K2438 PolarHBondContact OD1-NZ 3.24Å
1408P65.4Low64.8Low21 Ų2172 Ų7214%0.13637%0.37CS..G310 helixtrans-67.7-9.7-18026.6-34000114Y1406 D1411Y1406-P1408 WeakPolarHBondContact O-CD 3.42Å; P1408-D1411 WeakPolarHBondContact O-CB 3.32Å; P1408-D1411 PolarHBondContact O-N 2.95Å
1409E60.4Low63.2Low110 Ų11074 Ų7451%0.51438%0.382SS..G310 helixtrans-78.2-21.9177.9-65.7178.2-16300112.8D1407 D1411 S2435D1407-E1409 PolarHBondContact O-N 3.28Å; D1407-E1409 VanDerWaalsContact O-N 3.14Å; E1409-D1411 PolarHBondContact O-N 2.94Å; E1409-S2435 WeakPolarHBondContact OE1-CB 3.49Å
1410N66.1Low61.5Low132 Ų13276.7 Ų76.771%0.70639%0.391SS*.G310 helixtrans-74.1-5.8170.3-65.7-53.1000112.6D1407D1407-N1410 PolarHBondContact O-N 2.73Å
1411D59.4Low60Low22 Ų2276.2 Ų76.212%0.11839%0.39CS..SBendtrans-100.780.2-179.1-107.5-11.3000108.8R1373 Y1406 P1408 E1409 L1413 K2394R1373-D1411 VanDerWaalsContact CD-OD1 3.25Å; R1373-D1411 WeakPolarHBondContact CD-OD1 3.34Å; R1373-D1411 IonicContact CZ-OD1 3.89Å; R1373-D1411 IonicContact NE-OD1 3.08Å; R1373-D1411 IonicContact NH1-OD1 3.89Å; R1373-D1411 PolarHBondContact NH1-OD1 3.13Å; Y1406-D1411 WeakPolarHBondContact CE2-OD2 3.45Å; Y1406-D1411 PolarHBondContact OH-OD2 3.4Å; P1408-D1411 WeakPolarHBondContact O-CB 3.32Å; P1408-D1411 PolarHBondContact O-N 2.95Å; E1409-D1411 PolarHBondContact O-N 2.94Å; D1411-L1413 PolarHBondContact O-N 2.77Å; D1411-K2394 PolarHBondContact O-NZ 2.81Å
1412D56.6Low58Low138 Ų13871.8 Ų71.874%0.73838%0.376SS*.  trans-32.2119.7-179-74.8-36.5000113.2V1414 K2394D1412-V1414 PolarHBondContact O-N 3Å; D1412-V1414 VanDerWaalsContact O-N 3.16Å; D1412-K2394 PolarHBondContact O-NZ 3.49Å
1413L51.9Low56.3Low90 Ų9076 Ų7647%0.47140%0.397SS..  trans-66.8115.5-179.6-73.4173.8000109.2D1411 E1415 D2390D1411-L1413 PolarHBondContact O-N 2.77Å; L1413-E1415 PolarHBondContact O-N 2.91Å; L1413-E1415 VanDerWaalsContact O-N 3.13Å; L1413-D2390 HydrophobicContact CD2-CB 3.85Å
1414V51.5Low55Low52 Ų5277.5 Ų77.532%0.31541%0.406SS..  trans-70109.6179.5170.60000108.8D1412D1412-V1414 PolarHBondContact O-N 3Å; D1412-V1414 VanDerWaalsContact O-N 3.16Å
1415E51.2Low53.7Low165 Ų16579 Ų7977%0.77142%0.415SS*.  trans-58.1134.1163.2-67-172.9160.700108.8L1413 V1417L1413-E1415 PolarHBondContact O-N 2.91Å; L1413-E1415 VanDerWaalsContact O-N 3.13Å; E1415-V1417 PolarHBondContact O-N 3.5Å
1416P47.7Very low52.6Low52 Ų5277.1 Ų77.134%0.33842%0.417SS..  trans-59.2131.3177.328.1-36.1000108.5D1418 Y1966P1416-D1418 PolarHBondContact O-N 2.87Å; P1416-Y1966 HydrophobicContact CB-CE2 4.46Å; P1416-Y1966 HydrophobicContact CG-CE2 3.95Å
1417V42.1Very low51.4Low69 Ų6984.8 Ų84.842%0.41845%0.451SS..  trans-68.2101.5-178.2178.40000108.8K1359 E1415K1359-V1417 HydrophobicContact CD-CG1 3.85Å; K1359-V1417 HydrophobicContact CG-CG1 4.46Å; E1415-V1417 PolarHBondContact O-N 3.5Å
1418D44.6Very low50.5Low133 Ų13383.2 Ų83.271%0.71145%0.449SS*.  trans-54.8151.8173.7-91.1-33.9000110.9K1359 P1416K1359-D1418 PolarHBondContact NZ-O 2.77Å; P1416-D1418 PolarHBondContact O-N 2.87Å
1419S46.9Very low49.9Very low72 Ų7283.9 Ų83.950%0.50345%0.453SS..  trans-48.8157.7-157.575.80000115.7K1359 V1421K1359-S1419 PolarHBondContact NZ-O 2.84Å; S1419-V1421 PolarHBondContact O-N 3.41Å; S1419-V1421 PolarHBondContact OG-O 3.06Å
1420F41.8Very low49.7Very low67 Ų6781 Ų8129%0.29445%0.447SS..SBendtrans-64.46.8175.8-64.1-81.4000115K1359 L1956K1359-F1420 HydrophobicContact CD-CD1 4.36Å; K1359-F1420 HydrophobicContact CD-CE1 4.34Å; F1420-L1956 HydrophobicContact CZ-CB 3.96Å
1421V47.7Very low49.6Very low46 Ų4676.6 Ų76.628%0.27942%0.421SS..SBendtrans-115113178.8-175.70000108.6S1419 E1423S1419-V1421 PolarHBondContact O-N 3.41Å; S1419-V1421 PolarHBondContact OG-O 3.06Å; V1421-E1423 PolarHBondContact O-N 2.95Å
1422P40.2Very low50Low29 Ų2981.5 Ų81.519%0.18845%0.447CS..  trans-62.9127.9174.919.7-28.7000111.9Q1352 V1424Q1352-P1422 HydrophobicContact CG-CG 4.07Å; P1422-V1424 VanDerWaalsContact C-N 3.28Å; P1422-V1424 HydrophobicContact CB-CG2 4.21Å; P1422-V1424 HydrophobicContact CG-CG2 4.43Å; P1422-V1424 PolarHBondContact O-N 2.81Å
1423E44.8Very low50.7Low116 Ų11679.6 Ų79.654%0.54243%0.43SS..  trans-7785.4160.1-68.4-146.7-174.400109.2V1421 D1425 K1525V1421-E1423 PolarHBondContact O-N 2.95Å; E1423-D1425 PolarHBondContact O-N 3.11Å; E1423-K1525 IonicContact OE1-NZ 3.42Å; E1423-K1525 PolarHBondContact OE1-NZ 2.94Å; E1423-K1525 WeakPolarHBondContact OE2-CE 3.42Å; E1423-K1525 IonicContact OE2-NZ 3.35Å; E1423-K1525 PolarHBondContact OE2-NZ 2.93Å
1424V49.3Very low51.6Low33 Ų3375.3 Ų75.320%0.241%0.408CS..SBendtrans-63.6116.1171.4-169.60000107.8E1351 P1422E1351-V1424 WeakPolarHBondContact OE2-CG2 3.23Å; P1422-V1424 VanDerWaalsContact C-N 3.28Å; P1422-V1424 HydrophobicContact CB-CG2 4.21Å; P1422-V1424 HydrophobicContact CG-CG2 4.43Å; P1422-V1424 PolarHBondContact O-N 2.81Å
1425D47.9Very low52.5Low52 Ų5276 Ų7628%0.27841%0.409SS..  trans82.166-176.2-48.7-31.3000118.1E1423 K1427 A1428 T1429 R1528E1423-D1425 PolarHBondContact O-N 3.11Å; D1425-K1427 PolarHBondContact O-N 3.28Å; D1425-A1428 HydrophobicContact CB-CB 3.78Å; D1425-A1428 PolarHBondContact O-N 2.91Å; D1425-T1429 PolarHBondContact O-N 3.37Å; D1425-T1429 PolarHBondContact O-OG1 3.08Å; D1425-R1528 IonicContact OD2-NH1 2.71Å
1426P48.5Very low53.7Low96 Ų9669.8 Ų69.862%0.62338%0.384SS*.Hα-helixtrans-58.2-22.3175.624.5-34.9000114.1A1430P1426-A1430 WeakPolarHBondContact O-CB 3.17Å
1427K48.3Very low55Low205 Ų20568.9 Ų68.989%0.89138%0.384SS*.Hα-helixtrans-83.2-17.7176.8-68.9177.2-179.2169.50114.3D1425D1425-K1427 PolarHBondContact O-N 3.28Å
1428A47.6Very low56.7Low48 Ų4867.2 Ų67.240%0.39737%0.371SS..Hα-helixtrans-97.5-16.8-178.300000113D1425D1425-A1428 HydrophobicContact CB-CB 3.78Å; D1425-A1428 PolarHBondContact O-N 2.91Å
1429T53.3Low58.5Low34 Ų3461.1 Ų61.121%0.20934%0.338CS..Hα-helixtrans-107.4-14.2-17854.60000114.1D1425 V1521 K1525D1425-T1429 PolarHBondContact O-N 3.37Å; D1425-T1429 PolarHBondContact O-OG1 3.08Å; T1429-V1521 WeakPolarHBondContact O-CG1 3.4Å; T1429-K1525 HydrophobicContact CG2-CD 3.99Å; T1429-K1525 HydrophobicContact CG2-CG 4.11Å
1430A56.9Low60Low49 Ų4963.3 Ų63.341%0.40534%0.342SS..  trans-65.1137.9179.600000113.2P1426P1426-A1430 WeakPolarHBondContact O-CB 3.17Å
1431Y64.4Low61.7Low41 Ų4163.6 Ų63.616%0.16134%0.342CS..  trans-97.190.6173.3175.7-98.2000109.4R1433 L1434 D1435 S1514 D1517 L1518Y1431-R1433 HydrophobicContact CE1-CB 3.95Å; Y1431-R1433 VanDerWaalsContact CE1-O 3.24Å; Y1431-R1433 WeakPolarHBondContact CE1-O 3.39Å; Y1431-R1433 HydrophobicContact CE2-CB 4.32Å; Y1431-R1433 PolarHBondContact O-N 2.99Å; Y1431-L1434 WeakPolarHBondContact CE1-O 3.31Å; Y1431-L1434 PolarHBondContact OH-O 3.3Å; Y1431-D1435 WeakPolarHBondContact CD1-OD1 3.4Å; Y1431-D1435 WeakPolarHBondContact CE1-OD1 3.31Å; Y1431-S1514 WeakPolarHBondContact OH-CB 3.3Å; Y1431-S1514 PolarHBondContact OH-OG 3.32Å; Y1431-D1517 HydrophobicContact CE2-CB 4.45Å; Y1431-L1518 HydrophobicContact CD2-CB 4.42Å; Y1431-L1518 HydrophobicContact CD2-CD1 4.39Å; Y1431-L1518 HydrophobicContact CE2-CB 4.36Å; Y1431-L1518 HydrophobicContact CG-CD1 4.25Å
1432D66.2Low63.1Low124 Ų12461.4 Ų61.466%0.66333%0.329SS*.  trans-73.122-171-70.1-15.3000115.8R1469D1432-R1469 VanDerWaalsContact C-NH1 3.33Å; D1432-R1469 PolarHBondContact O-NH1 3.46Å; D1432-R1469 VanDerWaalsContact O-NH1 3.11Å
1433R71.5Confident64.8Low98 Ų9860.2 Ų60.237%0.3732%0.321SS..SBendtrans-127.3170.7-176.1-65.1180-174.7158.85.3111.4Y1431 D1435 R1469 D1517Y1431-R1433 HydrophobicContact CE1-CB 3.95Å; Y1431-R1433 VanDerWaalsContact CE1-O 3.24Å; Y1431-R1433 WeakPolarHBondContact CE1-O 3.39Å; Y1431-R1433 HydrophobicContact CE2-CB 4.32Å; Y1431-R1433 PolarHBondContact O-N 2.99Å; R1433-D1435 PolarHBondContact O-N 3.44Å; R1433-R1469 PolarHBondContact O-NH2 2.87Å; R1433-D1517 IonicContact CZ-OD2 2.86Å; R1433-D1517 IonicContact NH1-OD2 3.69Å; R1433-D1517 PolarHBondContact NH1-OD2 3.4Å; R1433-D1517 IonicContact NH2-OD2 2.75Å
1434L70.5Confident66.4Low1 Ų156.7 Ų56.71%0.00531%0.308CS..  trans-63.2136.7170.4-75.285.3000110.6Y1431 Q1438 I1439 V1457 D1461 R1469 A1473Y1431-L1434 WeakPolarHBondContact CE1-O 3.31Å; Y1431-L1434 PolarHBondContact OH-O 3.3Å; L1434-Q1438 HydrophobicContact CB-CB 4.4Å; L1434-Q1438 HydrophobicContact CD2-CB 4.4Å; L1434-I1439 HydrophobicContact CB-CD1 4.19Å; L1434-I1439 HydrophobicContact CB-CG1 3.71Å; L1434-I1439 HydrophobicContact CD2-CG1 4.47Å; L1434-V1457 HydrophobicContact CD2-CG2 4.37Å; L1434-D1461 WeakPolarHBondContact CD1-OD1 3.2Å; L1434-D1461 PolarHBondContact N-OD1 3.16Å; L1434-R1469 HydrophobicContact CD1-CG 3.62Å; L1434-R1469 HydrophobicContact CG-CG 4.11Å; L1434-A1473 HydrophobicContact CD2-CB 3.95Å
1435D71.7Confident67.4Low66 Ų6657.3 Ų57.335%0.35332%0.316SS..  trans-68.3152.7174.1-77.4-33.5000111.3Y1431 R1433 G1437 Q1438 I1439Y1431-D1435 WeakPolarHBondContact CD1-OD1 3.4Å; Y1431-D1435 WeakPolarHBondContact CE1-OD1 3.31Å; R1433-D1435 PolarHBondContact O-N 3.44Å; D1435-G1437 PolarHBondContact O-N 2.8Å; D1435-G1437 VanDerWaalsContact O-N 3.1Å; D1435-Q1438 HydrophobicContact CB-CB 4.39Å; D1435-Q1438 HydrophobicContact CB-CG 4.17Å; D1435-Q1438 PolarHBondContact O-N 3.06Å; D1435-I1439 WeakPolarHBondContact O-CG1 3.48Å; D1435-I1439 PolarHBondContact O-N 3.22Å
1436P76.8Confident68.6Low35 Ų3556.7 Ų56.723%0.22731%0.312CS..Hα-helixtrans-51.1-36.5172.3-26.133.5000113.1M1440 S1514 A1515P1436-M1440 WeakPolarHBondContact O-CB 3.31Å; P1436-M1440 PolarHBondContact O-N 3.28Å; P1436-S1514 WeakPolarHBondContact CD-OG 3.45Å; P1436-S1514 WeakPolarHBondContact CG-OG 3.31Å; P1436-A1515 HydrophobicContact CG-CB 4.48Å
1437G74.9Confident69.6Low33 Ų3356.2 Ų56.234%0.3430%0.304SS..Hα-helixtrans-69.1-37.6175.700000114.1D1435 M1440 Y1441D1435-G1437 PolarHBondContact O-N 2.8Å; D1435-G1437 VanDerWaalsContact O-N 3.1Å; G1437-M1440 PolarHBondContact O-N 3.44Å; G1437-Y1441 PolarHBondContact O-N 3.28Å
1438Q77.7Confident70.7Confident34 Ų3451.1 Ų51.116%0.15929%0.286CS..Hα-helixtrans-70-41.8175.8-69.9175.9-14.800111.3L1434 D1435 M1440 Y1441 A1442L1434-Q1438 HydrophobicContact CB-CB 4.4Å; L1434-Q1438 HydrophobicContact CD2-CB 4.4Å; D1435-Q1438 HydrophobicContact CB-CB 4.39Å; D1435-Q1438 HydrophobicContact CB-CG 4.17Å; D1435-Q1438 PolarHBondContact O-N 3.06Å; Q1438-M1440 VanDerWaalsContact C-N 3.3Å; Q1438-M1440 PolarHBondContact O-N 3.1Å; Q1438-Y1441 PolarHBondContact O-N 3.04Å; Q1438-A1442 PolarHBondContact O-N 3.17Å
1439I81.7Confident72Confident4 Ų451.5 Ų51.52%0.02128%0.281CS..Hα-helixtrans-60.1-42.1173.8-64.5173000110.4L1434 D1435 A1443 V1457 F1507L1434-I1439 HydrophobicContact CB-CD1 4.19Å; L1434-I1439 HydrophobicContact CB-CG1 3.71Å; L1434-I1439 HydrophobicContact CD2-CG1 4.47Å; D1435-I1439 WeakPolarHBondContact O-CG1 3.48Å; D1435-I1439 PolarHBondContact O-N 3.22Å; I1439-A1443 WeakPolarHBondContact O-CB 3.14Å; I1439-A1443 PolarHBondContact O-N 2.94Å; I1439-V1457 HydrophobicContact CD1-CG1 4.21Å; I1439-V1457 HydrophobicContact CG1-CG1 4.08Å; I1439-V1457 HydrophobicContact CG1-CG2 4.32Å; I1439-V1457 HydrophobicContact CG2-CG2 4.4Å; I1439-F1507 HydrophobicContact CG2-CD2 4.45Å; I1439-F1507 HydrophobicContact CG2-CE2 3.57Å; I1439-F1507 HydrophobicContact CG2-CZ 3.9Å
1440M78.4Confident73.2Confident118 Ų11851.4 Ų51.458%0.58128%0.279SS*.Hα-helixtrans-67-41.7176.4-173167.364.700112.4P1436 G1437 Q1438 A1443 T1444P1436-M1440 WeakPolarHBondContact O-CB 3.31Å; P1436-M1440 PolarHBondContact O-N 3.28Å; G1437-M1440 PolarHBondContact O-N 3.44Å; Q1438-M1440 VanDerWaalsContact C-N 3.3Å; Q1438-M1440 PolarHBondContact O-N 3.1Å; M1440-A1443 PolarHBondContact O-N 3.38Å; M1440-T1444 PolarHBondContact O-N 3.13Å; M1440-T1444 PolarHBondContact O-OG1 3.39Å
1441Y78.4Confident73.9Confident73 Ų7351.1 Ų51.129%0.28628%0.277SS..Hα-helixtrans-59.5-48.6174.6179.9-107.7000111.5G1437 Q1438 A1443 T1444 A1445 V1474 Y2027G1437-Y1441 PolarHBondContact O-N 3.28Å; Q1438-Y1441 PolarHBondContact O-N 3.04Å; Y1441-A1443 VanDerWaalsContact C-N 3.31Å; Y1441-A1443 PolarHBondContact O-N 3.44Å; Y1441-T1444 WeakPolarHBondContact CA-OG1 3.5Å; Y1441-T1444 PolarHBondContact O-N 3.26Å; Y1441-T1444 VanDerWaalsContact O-N 3.09Å; Y1441-T1444 PolarHBondContact O-OG1 3.19Å; Y1441-A1445 PolarHBondContact O-N 2.93Å; Y1441-V1474 HydrophobicContact CD1-CG2 4.34Å; Y1441-V1474 HydrophobicContact CE1-CG2 4.25Å; Y1441-Y2027 AromaticContact CD1-CD1 3.88Å; Y1441-Y2027 HydrophobicContact CD1-CD1 3.88Å; Y1441-Y2027 HydrophobicContact CD2-CD1 4.18Å; Y1441-Y2027 HydrophobicContact CE1-CD1 4.31Å; Y1441-Y2027 AromaticContact CG-CD1 3.79Å; Y1441-Y2027 HydrophobicContact CG-CD1 3.79Å; Y1441-Y2027 HydrophobicContact CG-CE1 4.43Å; Y1441-Y2027 PolarHBondContact OH-O 2.67Å
1442A76.1Confident74.3Confident1 Ų154 Ų541%0.00829%0.291CS..Hα-helixtrans-57.6-42.317500000112Q1438 T1444 A1445 H1446 A1473 V1474Q1438-A1442 PolarHBondContact O-N 3.17Å; A1442-T1444 VanDerWaalsContact C-N 3.35Å; A1442-T1444 PolarHBondContact O-N 3.3Å; A1442-A1445 PolarHBondContact O-N 3.4Å; A1442-H1446 PolarHBondContact O-CD2 3.42Å; A1442-H1446 PolarHBondContact O-N 2.92Å; A1442-H1446 VanDerWaalsContact O-N 3.09Å; A1442-A1473 HydrophobicContact CB-CB 4.29Å; A1442-V1474 HydrophobicContact CB-CG2 4.46Å
1443A76.8Confident74.8Confident3 Ų348.2 Ų48.23%0.02526%0.259CS..Hα-helixtrans-62.7-37.3175.100000113.6I1439 M1440 Y1441 L1448 T1453 F1507I1439-A1443 WeakPolarHBondContact O-CB 3.14Å; I1439-A1443 PolarHBondContact O-N 2.94Å; M1440-A1443 PolarHBondContact O-N 3.38Å; Y1441-A1443 VanDerWaalsContact C-N 3.31Å; Y1441-A1443 PolarHBondContact O-N 3.44Å; A1443-L1448 WeakPolarHBondContact O-CA 3.41Å; A1443-L1448 PolarHBondContact O-N 2.86Å; A1443-T1453 HydrophobicContact CB-CG2 4.31Å; A1443-F1507 HydrophobicContact CB-CE2 3.89Å; A1443-F1507 HydrophobicContact CB-CZ 3.8Å
1444T76.7Confident75.2Confident43 Ų4344.7 Ų44.726%0.26425%0.249SC..Hα-helixtrans-74.8-28.2174.557.50000113.7M1440 Y1441 A1442M1440-T1444 PolarHBondContact O-N 3.13Å; M1440-T1444 PolarHBondContact O-OG1 3.39Å; Y1441-T1444 WeakPolarHBondContact CA-OG1 3.5Å; Y1441-T1444 PolarHBondContact O-N 3.26Å; Y1441-T1444 VanDerWaalsContact O-N 3.09Å; Y1441-T1444 PolarHBondContact O-OG1 3.19Å; A1442-T1444 VanDerWaalsContact C-N 3.35Å; A1442-T1444 PolarHBondContact O-N 3.3Å
1445A71.7Confident75.5Confident46 Ų4651.4 Ų51.438%0.3828%0.28SS..Hα-helixtrans-70.3-38.4175.600000111.8Y1441 A1442 D1447 V1474Y1441-A1445 PolarHBondContact O-N 2.93Å; A1442-A1445 PolarHBondContact O-N 3.4Å; A1445-D1447 PolarHBondContact O-N 3.26Å; A1445-V1474 HydrophobicContact CB-CG1 4.11Å
1446H71.9Confident75.7Confident39 Ų3949.1 Ų49.118%0.18127%0.267CS..THydrogen-bonded Turntrans-85.327.9177.1-66.5-61.9000114.1A1442 L1448 D1449 T1453 Q1456 A1473 V1474A1442-H1446 PolarHBondContact O-CD2 3.42Å; A1442-H1446 PolarHBondContact O-N 2.92Å; A1442-H1446 VanDerWaalsContact O-N 3.09Å; H1446-L1448 PolarHBondContact O-N 3.25Å; H1446-D1449 WeakPolarHBondContact O-CB 3.1Å; H1446-D1449 PolarHBondContact O-N 2.88Å; H1446-T1453 HydrophobicContact CB-CG2 3.66Å; H1446-Q1456 PolarHBondContact CD2-OE1 2.9Å; H1446-Q1456 PolarHBondContact CE1-NE2 2.75Å; H1446-Q1456 VanDerWaalsContact CE1-NE2 3.29Å; H1446-Q1456 PolarHBondContact NE2-NE2 2.7Å; H1446-Q1456 PolarHBondContact NE2-OE1 3.11Å; H1446-A1473 PolarHBondContact NE2-O 3.11Å; H1446-V1474 PolarHBondContact CE1-O 3.45Å
1447D69.7Low75.8Confident86 Ų8647.6 Ų47.646%0.4626%0.258SS..THydrogen-bonded Turntrans48.634.8178-102.70.7000113.5A1445 K2037A1445-D1447 PolarHBondContact O-N 3.26Å; D1447-K2037 PolarHBondContact OD1-N 2.95Å
1448L72Confident76Confident97 Ų9752.8 Ų52.851%0.50827%0.27SS..THydrogen-bonded Turntrans6529-175.2-57.8169.3000115.8A1443 H1446 L1450 L2038A1443-L1448 WeakPolarHBondContact O-CA 3.41Å; A1443-L1448 PolarHBondContact O-N 2.86Å; H1446-L1448 PolarHBondContact O-N 3.25Å; L1448-L1450 VanDerWaalsContact C-N 3.31Å; L1448-L1450 PolarHBondContact O-N 3.42Å; L1448-L2038 HydrophobicContact CD1-CD1 4.12Å
1449D74.4Confident76.1Confident56 Ų5657 Ų5730%0.29929%0.289SS..  trans-74.381.9168-163.2-23.2000111.5H1446 A1451 K1452 T1453H1446-D1449 WeakPolarHBondContact O-CB 3.1Å; H1446-D1449 PolarHBondContact O-N 2.88Å; D1449-A1451 PolarHBondContact O-N 2.98Å; D1449-A1451 VanDerWaalsContact O-N 3.17Å; D1449-K1452 HydrophobicContact CB-CB 4.46Å; D1449-K1452 HydrophobicContact CB-CD 4.45Å; D1449-K1452 PolarHBondContact O-N 3.46Å; D1449-K1452 WeakPolarHBondContact OD2-CD 3.48Å; D1449-K1452 VanDerWaalsContact OD2-CE 3.3Å; D1449-K1452 WeakPolarHBondContact OD2-CE 3.38Å; D1449-K1452 IonicContact OD2-NZ 3.25Å; D1449-K1452 PolarHBondContact OD2-NZ 3.47Å; D1449-T1453 VanDerWaalsContact O-CG2 3.24Å; D1449-T1453 WeakPolarHBondContact O-CG2 3.3Å; D1449-T1453 PolarHBondContact O-N 2.81Å; D1449-T1453 VanDerWaalsContact O-N 3.1Å; D1449-T1453 PolarHBondContact O-OG1 3.47Å
1450L78.3Confident75.7Confident32 Ų3256.9 Ų56.917%0.16829%0.288CS..Hα-helixtrans-61.2-23.7-174.3-61.8176.5000113.8L1448 T1453 V1454 T1504 F1507L1448-L1450 VanDerWaalsContact C-N 3.31Å; L1448-L1450 PolarHBondContact O-N 3.42Å; L1450-T1453 VanDerWaalsContact CA-OG1 3.27Å; L1450-T1453 WeakPolarHBondContact CA-OG1 3.26Å; L1450-T1453 PolarHBondContact O-OG1 2.95Å; L1450-T1453 VanDerWaalsContact O-OG1 3.13Å; L1450-V1454 VanDerWaalsContact O-CG2 3.24Å; L1450-V1454 WeakPolarHBondContact O-CG2 3.48Å; L1450-V1454 PolarHBondContact O-N 3.18Å; L1450-T1504 HydrophobicContact CD1-CG2 3.97Å; L1450-T1504 WeakPolarHBondContact CD1-OG1 3.31Å; L1450-F1507 HydrophobicContact CD2-CB 4.36Å; L1450-F1507 HydrophobicContact CD2-CD1 4Å; L1450-F1507 HydrophobicContact CD2-CD2 3.99Å; L1450-F1507 HydrophobicContact CD2-CE1 4.28Å; L1450-F1507 HydrophobicContact CD2-CE2 4.26Å; L1450-F1507 HydrophobicContact CD2-CG 3.85Å; L1450-F1507 HydrophobicContact CD2-CZ 4.4Å
1451A71.2Confident75.5Confident43 Ų4353 Ų5336%0.35527%0.269SS..Hα-helixtrans-72.9-49.6177.300000111.4D1449 Q1455D1449-A1451 PolarHBondContact O-N 2.98Å; D1449-A1451 VanDerWaalsContact O-N 3.17Å; A1451-Q1455 PolarHBondContact O-N 3.28Å
1452K73.2Confident75.4Confident103 Ų10355 Ų5545%0.44829%0.289SS..Hα-helixtrans-63.3-46.1177.7-67.6-175.8-175.8125.80111.8D1449 V1454 Q1455 Q1456D1449-K1452 HydrophobicContact CB-CB 4.46Å; D1449-K1452 HydrophobicContact CB-CD 4.45Å; D1449-K1452 PolarHBondContact O-N 3.46Å; D1449-K1452 WeakPolarHBondContact OD2-CD 3.48Å; D1449-K1452 VanDerWaalsContact OD2-CE 3.3Å; D1449-K1452 WeakPolarHBondContact OD2-CE 3.38Å; D1449-K1452 IonicContact OD2-NZ 3.25Å; D1449-K1452 PolarHBondContact OD2-NZ 3.47Å; K1452-V1454 PolarHBondContact O-N 2.93Å; K1452-Q1455 WeakPolarHBondContact O-CB 3.49Å; K1452-Q1455 PolarHBondContact O-N 3.03Å; K1452-Q1456 PolarHBondContact O-N 2.86Å; K1452-Q1456 PolarHBondContact O-OE1 2.99Å
1453T77.6Confident75.3Confident1 Ų157 Ų571%0.00630%0.299CS..Hα-helixtrans-60.4-41.4-178.757.40000112.3A1443 H1446 D1449 L1450 Q1455 Q1456 V1457A1443-T1453 HydrophobicContact CB-CG2 4.31Å; H1446-T1453 HydrophobicContact CB-CG2 3.66Å; D1449-T1453 VanDerWaalsContact O-CG2 3.24Å; D1449-T1453 WeakPolarHBondContact O-CG2 3.3Å; D1449-T1453 PolarHBondContact O-N 2.81Å; D1449-T1453 VanDerWaalsContact O-N 3.1Å; D1449-T1453 PolarHBondContact O-OG1 3.47Å; L1450-T1453 VanDerWaalsContact CA-OG1 3.27Å; L1450-T1453 WeakPolarHBondContact CA-OG1 3.26Å; L1450-T1453 PolarHBondContact O-OG1 2.95Å; L1450-T1453 VanDerWaalsContact O-OG1 3.13Å; T1453-Q1455 VanDerWaalsContact C-N 3.31Å; T1453-Q1455 PolarHBondContact O-N 2.99Å; T1453-Q1456 PolarHBondContact O-N 2.97Å; T1453-V1457 VanDerWaalsContact O-CB 3.3Å; T1453-V1457 WeakPolarHBondContact O-CB 3.46Å; T1453-V1457 WeakPolarHBondContact O-CG2 3.31Å; T1453-V1457 PolarHBondContact O-N 3.02Å
1454V79.6Confident75Confident25 Ų2566.3 Ų66.315%0.15234%0.339CS..Hα-helixtrans-65.4-33.2176.1170.20000112.3L1450 K1452 K1458 F1507L1450-V1454 VanDerWaalsContact O-CG2 3.24Å; L1450-V1454 WeakPolarHBondContact O-CG2 3.48Å; L1450-V1454 PolarHBondContact O-N 3.18Å; K1452-V1454 PolarHBondContact O-N 2.93Å; V1454-K1458 WeakPolarHBondContact O-CG 3.38Å; V1454-K1458 PolarHBondContact O-N 3.28Å; V1454-F1507 HydrophobicContact CG2-CB 3.82Å; V1454-F1507 HydrophobicContact CG2-CD2 3.98Å; V1454-F1507 HydrophobicContact CG2-CG 4.42Å
1455Q76.8Confident74.7Confident141 Ų14169.5 Ų69.566%0.65936%0.355SS*.Hα-helixtrans-72-46.5174-69.7176.4-19.800111.7A1451 K1452 T1453 K1458 K1459A1451-Q1455 PolarHBondContact O-N 3.28Å; K1452-Q1455 WeakPolarHBondContact O-CB 3.49Å; K1452-Q1455 PolarHBondContact O-N 3.03Å; T1453-Q1455 VanDerWaalsContact C-N 3.31Å; T1453-Q1455 PolarHBondContact O-N 2.99Å; Q1455-K1458 PolarHBondContact O-N 2.8Å; Q1455-K1459 PolarHBondContact O-N 2.95Å; Q1455-K1459 VanDerWaalsContact O-N 3.11Å
1456Q76.6Confident74.5Confident18 Ų1870.7 Ų70.78%0.08436%0.359CS..Hα-helixtrans-65.7-40.1178.9-75.3162.6-55.500112.5H1446 K1452 T1453 K1458 K1459 G1460 S1475H1446-Q1456 PolarHBondContact CD2-OE1 2.9Å; H1446-Q1456 PolarHBondContact CE1-NE2 2.75Å; H1446-Q1456 VanDerWaalsContact CE1-NE2 3.29Å; H1446-Q1456 PolarHBondContact NE2-NE2 2.7Å; H1446-Q1456 PolarHBondContact NE2-OE1 3.11Å; K1452-Q1456 PolarHBondContact O-N 2.86Å; K1452-Q1456 PolarHBondContact O-OE1 2.99Å; T1453-Q1456 PolarHBondContact O-N 2.97Å; Q1456-K1458 PolarHBondContact O-N 2.81Å; Q1456-K1459 CarbonylContact O-C 3.54Å; Q1456-K1459 WeakPolarHBondContact O-CB 3.45Å; Q1456-K1459 PolarHBondContact O-N 2.81Å; Q1456-K1459 VanDerWaalsContact O-N 3.09Å; Q1456-G1460 PolarHBondContact O-N 3.1Å; Q1456-S1475 PolarHBondContact NE2-O 3.37Å
1457V78.9Confident74.3Confident4 Ų474.3 Ų74.32%0.02438%0.379CS..Hα-helixtrans-62.8-40.1174.1169.10000111.3L1434 I1439 T1453 K1459 G1460 D1461L1434-V1457 HydrophobicContact CD2-CG2 4.37Å; I1439-V1457 HydrophobicContact CD1-CG1 4.21Å; I1439-V1457 HydrophobicContact CG1-CG1 4.08Å; I1439-V1457 HydrophobicContact CG1-CG2 4.32Å; I1439-V1457 HydrophobicContact CG2-CG2 4.4Å; T1453-V1457 VanDerWaalsContact O-CB 3.3Å; T1453-V1457 WeakPolarHBondContact O-CB 3.46Å; T1453-V1457 WeakPolarHBondContact O-CG2 3.31Å; T1453-V1457 PolarHBondContact O-N 3.02Å; V1457-K1459 VanDerWaalsContact C-N 3.27Å; V1457-K1459 PolarHBondContact O-N 3.03Å; V1457-G1460 PolarHBondContact O-N 2.94Å; V1457-D1461 PolarHBondContact O-N 2.93Å
1458K78.5Confident74.5Confident141 Ų14172 Ų7261%0.61337%0.37SS*.Hα-helixtrans-63-31.8172.9-79178.7177.7-174.40113.1V1454 Q1455 Q1456V1454-K1458 WeakPolarHBondContact O-CG 3.38Å; V1454-K1458 PolarHBondContact O-N 3.28Å; Q1455-K1458 PolarHBondContact O-N 2.8Å; Q1456-K1458 PolarHBondContact O-N 2.81Å
1459K79.2Confident74.7Confident124 Ų12468.6 Ų68.654%0.53935%0.35SS..Hα-helixtrans-78.7-29.1175.8-167.6174.7-177.9175.90112.3Q1455 Q1456 V1457 T1462 I1472Q1455-K1459 PolarHBondContact O-N 2.95Å; Q1455-K1459 VanDerWaalsContact O-N 3.11Å; Q1456-K1459 CarbonylContact O-C 3.54Å; Q1456-K1459 WeakPolarHBondContact O-CB 3.45Å; Q1456-K1459 PolarHBondContact O-N 2.81Å; Q1456-K1459 VanDerWaalsContact O-N 3.09Å; V1457-K1459 VanDerWaalsContact C-N 3.27Å; V1457-K1459 PolarHBondContact O-N 3.03Å; K1459-T1462 PolarHBondContact O-OG1 2.84Å; K1459-T1462 VanDerWaalsContact O-OG1 3.05Å; K1459-I1472 HydrophobicContact CG-CG2 4.4Å
1460G73.5Confident74.6Confident0 Ų066.6 Ų66.60%034%0.341CS..Hα-helixtrans-71.7-42.5171.300000112.6Q1456 V1457 T1462 I1463 R1469Q1456-G1460 PolarHBondContact O-N 3.1Å; V1457-G1460 PolarHBondContact O-N 2.94Å; G1460-T1462 PolarHBondContact O-N 2.92Å; G1460-I1463 PolarHBondContact O-N 2.79Å; G1460-R1469 WeakPolarHBondContact O-CD 3.38Å; G1460-R1469 VanDerWaalsContact O-CG 3.3Å; G1460-R1469 WeakPolarHBondContact O-CG 3.34Å
1461D73.9Confident74.3Confident37 Ų3769.4 Ų69.420%0.19836%0.356CS..THydrogen-bonded Turntrans-58.2-13.3179.3-84.4-20.6000114.5L1434 V1457 K1510L1434-D1461 WeakPolarHBondContact CD1-OD1 3.2Å; L1434-D1461 PolarHBondContact N-OD1 3.16Å; V1457-D1461 PolarHBondContact O-N 2.93Å; D1461-K1510 WeakPolarHBondContact OD2-CE 3.45Å; D1461-K1510 IonicContact OD2-NZ 2.75Å; D1461-K1510 PolarHBondContact OD2-NZ 2.79Å
1462T76.1Confident74.4Confident115 Ų11569.9 Ų69.971%0.70635%0.352SS*.THydrogen-bonded Turntrans-92.2-3.1175.6610000114.2K1459 G1460K1459-T1462 PolarHBondContact O-OG1 2.84Å; K1459-T1462 VanDerWaalsContact O-OG1 3.05Å; G1460-T1462 PolarHBondContact O-N 2.92Å
1463I74.6Confident74.3Confident43 Ų4365.1 Ų65.122%0.22133%0.332CS..  trans-104.2135.6-173.3-60.2174.9000110.1G1460 S1468 R1469 I1472G1460-I1463 PolarHBondContact O-N 2.79Å; I1463-S1468 VanDerWaalsContact CG2-OG 3.29Å; I1463-S1468 WeakPolarHBondContact CG2-OG 3.23Å; I1463-R1469 HydrophobicContact CB-CB 4.26Å; I1463-R1469 HydrophobicContact CG2-CB 4.34Å; I1463-I1472 HydrophobicContact CD1-CB 4.34Å; I1463-I1472 HydrophobicContact CD1-CD1 3.42Å; I1463-I1472 VanDerWaalsContact CD1-CD1 3.42Å; I1463-I1472 HydrophobicContact CD1-CG1 4.46Å; I1463-I1472 HydrophobicContact CD1-CG2 4.26Å
1464K69.9Low73.9Confident198 Ų19865.7 Ų65.786%0.86134%0.335SS*.SBendtrans-79.6-41.4-177-69-175.9176.8-179.80113.6
1465D72.1Confident73.3Confident111 Ų11166.6 Ų66.659%0.59434%0.343SS*.SBendtrans-74.6127.7-177.3-63.1-28.9000110.7D1467 S1468 R1469D1465-D1467 PolarHBondContact O-N 2.93Å; D1465-S1468 WeakPolarHBondContact CB-OG 3.23Å; D1465-S1468 PolarHBondContact O-OG 2.8Å; D1465-R1469 WeakPolarHBondContact O-CB 3.26Å; D1465-R1469 PolarHBondContact O-N 2.94Å
1466P66.7Low72.5Confident71 Ų7167.8 Ų67.846%0.46135%0.349SS..Hα-helixtrans-65.5-39.8-173.325-33.6000112.8R1469 A1470P1466-R1469 WeakPolarHBondContact O-CB 3.49Å; P1466-R1469 PolarHBondContact O-N 3.11Å; P1466-A1470 WeakPolarHBondContact O-CB 3.49Å; P1466-A1470 PolarHBondContact O-N 2.85Å
1467D68Low71.2Confident114 Ų11471.4 Ų71.461%0.6137%0.374SS*.Hα-helixtrans-67.7-44.5-176.5-61.8-3.9000111.7D1465 A1470 L1471D1465-D1467 PolarHBondContact O-N 2.93Å; D1467-A1470 PolarHBondContact O-N 2.97Å; D1467-L1471 WeakPolarHBondContact O-CB 3.47Å; D1467-L1471 PolarHBondContact O-N 2.75Å
1468S74Confident69.7Low37 Ų3779.7 Ų79.726%0.25941%0.412SS..Hα-helixtrans-73.4-33.8178.369.30000111.7I1463 D1465 L1471 I1472I1463-S1468 VanDerWaalsContact CG2-OG 3.29Å; I1463-S1468 WeakPolarHBondContact CG2-OG 3.23Å; D1465-S1468 WeakPolarHBondContact CB-OG 3.23Å; D1465-S1468 PolarHBondContact O-OG 2.8Å; S1468-L1471 PolarHBondContact O-N 3.47Å; S1468-I1472 WeakPolarHBondContact O-CB 3.46Å; S1468-I1472 WeakPolarHBondContact O-CG1 3.5Å; S1468-I1472 PolarHBondContact O-N 3.13Å
1469R76Confident67.8Low26 Ų2677.4 Ų77.410%0.09842%0.419CS..Hα-helixtrans-58.1-44.9169.6174.816983.4-171.97.3112.2D1432 R1433 L1434 G1460 I1463 D1465 P1466 A1473D1432-R1469 VanDerWaalsContact C-NH1 3.33Å; D1432-R1469 PolarHBondContact O-NH1 3.46Å; D1432-R1469 VanDerWaalsContact O-NH1 3.11Å; R1433-R1469 PolarHBondContact O-NH2 2.87Å; L1434-R1469 HydrophobicContact CD1-CG 3.62Å; L1434-R1469 HydrophobicContact CG-CG 4.11Å; G1460-R1469 WeakPolarHBondContact O-CD 3.38Å; G1460-R1469 VanDerWaalsContact O-CG 3.3Å; G1460-R1469 WeakPolarHBondContact O-CG 3.34Å; I1463-R1469 HydrophobicContact CB-CB 4.26Å; I1463-R1469 HydrophobicContact CG2-CB 4.34Å; D1465-R1469 WeakPolarHBondContact O-CB 3.26Å; D1465-R1469 PolarHBondContact O-N 2.94Å; P1466-R1469 WeakPolarHBondContact O-CB 3.49Å; P1466-R1469 PolarHBondContact O-N 3.11Å; R1469-A1473 PolarHBondContact O-N 2.8Å
1470A71.9Confident65.6Low14 Ų1483.4 Ų83.412%0.11644%0.438CS..Hα-helixtrans-69.1-44.1176.100000112P1466 D1467 I1472 A1473 V1474P1466-A1470 WeakPolarHBondContact O-CB 3.49Å; P1466-A1470 PolarHBondContact O-N 2.85Å; D1467-A1470 PolarHBondContact O-N 2.97Å; A1470-I1472 PolarHBondContact O-N 2.84Å; A1470-A1473 PolarHBondContact O-N 2.79Å; A1470-V1474 WeakPolarHBondContact O-CG2 3.48Å
1471L72.8Confident63.9Low91 Ų9193 Ų9348%0.47648%0.48SS..Hα-helixtrans-59.4-47.2179.1-169.977.7000112.3D1467 S1468 A1473 V1474 S1475 P2028D1467-L1471 WeakPolarHBondContact O-CB 3.47Å; D1467-L1471 PolarHBondContact O-N 2.75Å; S1468-L1471 PolarHBondContact O-N 3.47Å; L1471-A1473 VanDerWaalsContact C-N 3.28Å; L1471-A1473 PolarHBondContact O-N 2.95Å; L1471-V1474 PolarHBondContact O-N 3.38Å; L1471-S1475 PolarHBondContact O-N 3.47Å; L1471-S1475 PolarHBondContact O-OG 2.9Å; L1471-P2028 HydrophobicContact CD1-CB 4.11Å; L1471-P2028 HydrophobicContact CD1-CG 4.17Å
1472I73.8Confident62Low54 Ų5497.4 Ų97.428%0.27751%0.511SS..Hα-helixtrans-70.1-25.1-177.2-73.9163.7000112.2K1459 I1463 S1468 A1470 V1474K1459-I1472 HydrophobicContact CG-CG2 4.4Å; I1463-I1472 HydrophobicContact CD1-CB 4.34Å; I1463-I1472 HydrophobicContact CD1-CD1 3.42Å; I1463-I1472 VanDerWaalsContact CD1-CD1 3.42Å; I1463-I1472 HydrophobicContact CD1-CG1 4.46Å; I1463-I1472 HydrophobicContact CD1-CG2 4.26Å; S1468-I1472 WeakPolarHBondContact O-CB 3.46Å; S1468-I1472 WeakPolarHBondContact O-CG1 3.5Å; S1468-I1472 PolarHBondContact O-N 3.13Å; A1470-I1472 PolarHBondContact O-N 2.84Å; I1472-V1474 PolarHBondContact O-N 3.22Å
1473A70.6Confident60.1Low2 Ų296.1 Ų96.12%0.01752%0.52CS..Hα-helixtrans-68.6-19.6170.100000113L1434 A1442 H1446 R1469 A1470 L1471L1434-A1473 HydrophobicContact CD2-CB 3.95Å; A1442-A1473 HydrophobicContact CB-CB 4.29Å; H1446-A1473 PolarHBondContact NE2-O 3.11Å; R1469-A1473 PolarHBondContact O-N 2.8Å; A1470-A1473 PolarHBondContact O-N 2.79Å; L1471-A1473 VanDerWaalsContact C-N 3.28Å; L1471-A1473 PolarHBondContact O-N 2.95Å
1474V69.7Low58.1Low13 Ų1397.9 Ų97.98%0.07955%0.549CS..Hα-helixtrans-109.3-25-173.8179.60000113.2Y1441 A1442 A1445 H1446 A1470 L1471 I1472 P2030Y1441-V1474 HydrophobicContact CD1-CG2 4.34Å; Y1441-V1474 HydrophobicContact CE1-CG2 4.25Å; A1442-V1474 HydrophobicContact CB-CG2 4.46Å; A1445-V1474 HydrophobicContact CB-CG1 4.11Å; H1446-V1474 PolarHBondContact CE1-O 3.45Å; A1470-V1474 WeakPolarHBondContact O-CG2 3.48Å; L1471-V1474 PolarHBondContact O-N 3.38Å; I1472-V1474 PolarHBondContact O-N 3.22Å; V1474-P2030 HydrophobicContact CG1-CG 4.12Å
1475S67Low56.4Low45 Ų4594.4 Ų94.432%0.31555%0.545SS..SBendtrans-79.7152.2-177.860.40000115.5Q1456 L1471Q1456-S1475 PolarHBondContact NE2-O 3.37Å; L1471-S1475 PolarHBondContact O-N 3.47Å; L1471-S1475 PolarHBondContact O-OG 2.9Å
1476E58.5Low54.5Low166 Ų16697.5 Ų97.578%0.77656%0.556SS**PPolyproline II helixtrans-64.2148.9177-67.5-173.5144.500114.1
1477P48.9Very low52.8Low94 Ų94103.5 Ų103.561%0.6158%0.578SS**PPolyproline II helixtrans-97.6138.9178.336-32.2000115
1478E47.3Very low51Low178 Ų178104.6 Ų104.683%0.83259%0.589SS**  trans65.1115.7158.8-56.2-161.6172.600120.5
1479A39.6Very low49Very low92 Ų92111.2 Ų111.276%0.7662%0.621SS**  trans-73.7133.1168.500000111.5K1481A1479-K1481 PolarHBondContact O-N 2.88Å; A1479-K1481 VanDerWaalsContact O-N 3.13Å
1480R33.1Very low46.7Very low250 Ų250113.2 Ų113.294%0.94365%0.65SS**  trans-52.3115.3169.4-80.7176.8165.7166.6-5.9110.8
1481K37.5Very low44.8Very low203 Ų203120.7 Ų120.788%0.88369%0.688SS**  trans-80.4130.3164-72-175.9177.8179.30110A1479A1479-K1481 PolarHBondContact O-N 2.88Å; A1479-K1481 VanDerWaalsContact O-N 3.13Å
1482P35Very low43Very low128 Ų128125.3 Ų125.383%0.83171%0.707SS**  trans-93.4131.117333.7-30.1000112.3
1483G35.2Very low41.2Very low88 Ų88130.2 Ų130.291%0.90773%0.734SS**  trans88.6130.1162.100000117.3
1484G33.7Very low39.7Very low81 Ų81139.4 Ų139.484%0.83578%0.776SS**  trans143.2113.4172.100000112.9
1485T33.6Very low38.3Very low125 Ų125146.1 Ų146.177%0.76781%0.812SS**  trans-75.1150-168.61.60000115.9
1486E31.3Very low37.1Very low175 Ų175149.5 Ų149.582%0.81883%0.826SS**  trans51.6106.2146.1-73161.6-155.100120.7
1487E31.6Very low36.2Very low197 Ų197150.2 Ų150.292%0.92183%0.827SS**  -157.5159.6103.6-107.9177.7-166.800110.8
1488T30.9Very low35.8Very low138 Ų138153 Ų15385%0.84784%0.837SS**  trans-80.7123.8-159.433.30000115.4
1489D31.2Very low36.3Very low176 Ų176146.7 Ų146.794%0.94181%0.812SS**  trans-154.4112.4151.1-104.4-27.8000108.8
1490G27.9Very low37.1Very low68 Ų68149.4 Ų149.470%0.70181%0.807SS**  trans-155.5111.6-179.900000112.4
1491D31.4Very low38.6Very low171 Ų171143.2 Ų143.291%0.91480%0.796SS**  trans171.361.5155.4-92.6-16.2000110.8
1492E35.3Very low40.3Very low188 Ų188139 Ų13988%0.87978%0.78SS**  trans-123.7-6.2178.3-70.7-153.7150.500116.8
1493D36.6Very low41.8Very low156 Ų156133.9 Ų133.983%0.83475%0.747SS**THydrogen-bonded Turntrans-89.5-1.9-162.5-90.2-39.5000118.4
1494E38.6Very low43.5Very low195 Ų195132.2 Ų132.291%0.91172%0.719SS**THydrogen-bonded Turntrans-100.4-14.4-180-74.9-142.3135.300116.5N1496E1494-N1496 VanDerWaalsContact C-N 3.31Å; E1494-N1496 PolarHBondContact O-N 3.35Å
1495D40.4Very low45.5Very low154 Ų154131 Ų13182%0.82470%0.701SS**  trans-85.77.7-173-90.8-19.1000115.1K1497D1495-K1497 PolarHBondContact O-N 2.95Å
1496N41.4Very low47.6Very low116 Ų116130 Ų13062%0.6269%0.686SS**THydrogen-bonded Turntrans-77.532.5-163.9-144.7-13.7000116.3E1494 S1499E1494-N1496 VanDerWaalsContact C-N 3.31Å; E1494-N1496 PolarHBondContact O-N 3.35Å; N1496-S1499 PolarHBondContact OD1-OG 2.78Å; N1496-S1499 VanDerWaalsContact OD1-OG 3.13Å
1497K40Very low50Low182 Ų182123 Ų12379%0.79165%0.653SS**THydrogen-bonded Turntrans-111.2-28.1176.8-79.1176.5-179.2162.30114.6D1495D1495-K1497 PolarHBondContact O-N 2.95Å
1498D40.3Very low52.3Low152 Ų152117.3 Ų117.381%0.81363%0.628SS**THydrogen-bonded Turntrans-86.8-9.5-178.4-69.3-6.7000112.6K1500D1498-K1500 VanDerWaalsContact C-N 3.34Å; D1498-K1500 PolarHBondContact O-N 2.94Å
1499S57.7Low54.7Low45 Ų45117.4 Ų117.432%0.31562%0.619SS.*Hα-helixtrans-71.7-14.9-179.361.20000115.6N1496 S1503N1496-S1499 PolarHBondContact OD1-OG 2.78Å; N1496-S1499 VanDerWaalsContact OD1-OG 3.13Å; S1499-S1503 PolarHBondContact O-N 2.87Å; S1499-S1503 PolarHBondContact O-OG 3.21Å
1500K56.7Low57.2Low150 Ų150112 Ų11265%0.65259%0.588SS**Hα-helixtrans-69.1-36.3-174.2-71.9-167175-169.60114.2D1498 S1503 T1504D1498-K1500 VanDerWaalsContact C-N 3.34Å; D1498-K1500 PolarHBondContact O-N 2.94Å; K1500-S1503 WeakPolarHBondContact CA-OG 3.47Å; K1500-S1503 PolarHBondContact O-OG 2.89Å; K1500-S1503 VanDerWaalsContact O-OG 3.08Å; K1500-T1504 WeakPolarHBondContact O-CB 3.39Å; K1500-T1504 PolarHBondContact O-N 3.03Å; K1500-T1504 VanDerWaalsContact O-N 3.08Å; K1500-T1504 PolarHBondContact O-OG1 2.65Å
1501V65.6Low59.7Low119 Ų119112.1 Ų112.172%0.72157%0.571SS**Hα-helixtrans-71.8-39.7179-178.90000110.6T1504 A1505V1501-T1504 PolarHBondContact O-N 2.74Å; V1501-A1505 WeakPolarHBondContact O-CB 3.49Å; V1501-A1505 PolarHBondContact O-N 3.14Å
1502E72.5Confident62.1Low116 Ų116108.2 Ų108.254%0.54255%0.549SS..Hα-helixtrans-70-41.1179.4-165.8-175.2154.600112.5T1504 A1505 K1506E1502-T1504 VanDerWaalsContact C-N 3.34Å; E1502-A1505 PolarHBondContact O-N 3.18Å; E1502-K1506 HydrophobicContact CG-CD 4.24Å; E1502-K1506 WeakPolarHBondContact O-CB 3.37Å; E1502-K1506 WeakPolarHBondContact O-CG 3.37Å; E1502-K1506 PolarHBondContact O-N 3.2Å; E1502-K1506 WeakPolarHBondContact OE1-CE 3.26Å; E1502-K1506 IonicContact OE1-NZ 3.23Å; E1502-K1506 PolarHBondContact OE1-NZ 3.33Å
1503S66.5Low64.4Low19 Ų19100.9 Ų100.913%0.13352%0.52CS..Hα-helixtrans-63.2-39.3172.647.50000112.1S1499 K1500 K1506 F1507S1499-S1503 PolarHBondContact O-N 2.87Å; S1499-S1503 PolarHBondContact O-OG 3.21Å; K1500-S1503 WeakPolarHBondContact CA-OG 3.47Å; K1500-S1503 PolarHBondContact O-OG 2.89Å; K1500-S1503 VanDerWaalsContact O-OG 3.08Å; S1503-K1506 PolarHBondContact O-N 2.89Å; S1503-F1507 WeakPolarHBondContact O-CB 3.39Å; S1503-F1507 PolarHBondContact O-N 2.96Å
1504T71.3Confident66.5Low53 Ų5393.6 Ų93.633%0.32548%0.481SS..Hα-helixtrans-61-47.1172.3-53.80000112L1450 K1500 V1501 E1502 K1506 F1507 I1508L1450-T1504 HydrophobicContact CD1-CG2 3.97Å; L1450-T1504 WeakPolarHBondContact CD1-OG1 3.31Å; K1500-T1504 WeakPolarHBondContact O-CB 3.39Å; K1500-T1504 PolarHBondContact O-N 3.03Å; K1500-T1504 VanDerWaalsContact O-N 3.08Å; K1500-T1504 PolarHBondContact O-OG1 2.65Å; V1501-T1504 PolarHBondContact O-N 2.74Å; E1502-T1504 VanDerWaalsContact C-N 3.34Å; T1504-K1506 PolarHBondContact O-N 2.73Å; T1504-F1507 PolarHBondContact O-N 3.49Å; T1504-I1508 HydrophobicContact CG2-CD1 3.96Å; T1504-I1508 WeakPolarHBondContact O-CG1 3.43Å; T1504-I1508 PolarHBondContact O-N 3.3Å
1505A74.5Confident68.5Low56 Ų5686.4 Ų86.446%0.46346%0.456SS..Hα-helixtrans-63-41.8178.400000112.2V1501 E1502 I1508 Q1509V1501-A1505 WeakPolarHBondContact O-CB 3.49Å; V1501-A1505 PolarHBondContact O-N 3.14Å; E1502-A1505 PolarHBondContact O-N 3.18Å; A1505-I1508 PolarHBondContact O-N 3.17Å; A1505-Q1509 WeakPolarHBondContact O-CB 3.26Å; A1505-Q1509 PolarHBondContact O-N 2.97Å
1506K79.2Confident70.7Confident103 Ų10381.9 Ų81.945%0.44843%0.431SS..Hα-helixtrans-63.9-39.5175.5-76.2168.9171.3169.60112.4E1502 S1503 T1504 K1510E1502-K1506 HydrophobicContact CG-CD 4.24Å; E1502-K1506 WeakPolarHBondContact O-CB 3.37Å; E1502-K1506 WeakPolarHBondContact O-CG 3.37Å; E1502-K1506 PolarHBondContact O-N 3.2Å; E1502-K1506 WeakPolarHBondContact OE1-CE 3.26Å; E1502-K1506 IonicContact OE1-NZ 3.23Å; E1502-K1506 PolarHBondContact OE1-NZ 3.33Å; S1503-K1506 PolarHBondContact O-N 2.89Å; T1504-K1506 PolarHBondContact O-N 2.73Å; K1506-K1510 WeakPolarHBondContact O-CB 3.35Å; K1506-K1510 PolarHBondContact O-N 2.91Å
1507F81Confident72.6Confident28 Ų2877 Ų7712%0.12341%0.405CS..Hα-helixtrans-63.1-50.2174.6179.6-93.9000111.6I1439 A1443 L1450 V1454 S1503 T1504 Q1509 K1510 M1511I1439-F1507 HydrophobicContact CG2-CD2 4.45Å; I1439-F1507 HydrophobicContact CG2-CE2 3.57Å; I1439-F1507 HydrophobicContact CG2-CZ 3.9Å; A1443-F1507 HydrophobicContact CB-CE2 3.89Å; A1443-F1507 HydrophobicContact CB-CZ 3.8Å; L1450-F1507 HydrophobicContact CD2-CB 4.36Å; L1450-F1507 HydrophobicContact CD2-CD1 4Å; L1450-F1507 HydrophobicContact CD2-CD2 3.99Å; L1450-F1507 HydrophobicContact CD2-CE1 4.28Å; L1450-F1507 HydrophobicContact CD2-CE2 4.26Å; L1450-F1507 HydrophobicContact CD2-CG 3.85Å; L1450-F1507 HydrophobicContact CD2-CZ 4.4Å; V1454-F1507 HydrophobicContact CG2-CB 3.82Å; V1454-F1507 HydrophobicContact CG2-CD2 3.98Å; V1454-F1507 HydrophobicContact CG2-CG 4.42Å; S1503-F1507 WeakPolarHBondContact O-CB 3.39Å; S1503-F1507 PolarHBondContact O-N 2.96Å; T1504-F1507 PolarHBondContact O-N 3.49Å; F1507-Q1509 VanDerWaalsContact C-N 3.35Å; F1507-Q1509 PolarHBondContact O-N 2.93Å; F1507-K1510 PolarHBondContact O-N 3.39Å; F1507-M1511 PolarHBondContact O-N 3.32Å
1508I79.9Confident74.7Confident78 Ų7871.3 Ų71.340%0.438%0.383SS..Hα-helixtrans-60.5-43.8177.9-67169.4000111T1504 A1505 K1510 M1511 I1512T1504-I1508 HydrophobicContact CG2-CD1 3.96Å; T1504-I1508 WeakPolarHBondContact O-CG1 3.43Å; T1504-I1508 PolarHBondContact O-N 3.3Å; A1505-I1508 PolarHBondContact O-N 3.17Å; I1508-K1510 VanDerWaalsContact C-N 3.34Å; I1508-K1510 PolarHBondContact O-N 2.92Å; I1508-M1511 PolarHBondContact O-N 3.14Å; I1508-I1512 HydrophobicContact CG2-CD1 3.73Å; I1508-I1512 HydrophobicContact CG2-CG1 4.38Å; I1508-I1512 WeakPolarHBondContact O-CG1 3.42Å; I1508-I1512 PolarHBondContact O-N 3.11Å
1509Q81.8Confident76.8Confident141 Ų14166.7 Ų66.766%0.65936%0.362SS*.Hα-helixtrans-60-42.1176.9-174.4-177.32.100112.2A1505 F1507 A1513A1505-Q1509 WeakPolarHBondContact O-CB 3.26Å; A1505-Q1509 PolarHBondContact O-N 2.97Å; F1507-Q1509 VanDerWaalsContact C-N 3.35Å; F1507-Q1509 PolarHBondContact O-N 2.93Å; Q1509-A1513 WeakPolarHBondContact O-CB 3.38Å; Q1509-A1513 PolarHBondContact O-N 2.84Å
1510K81.9Confident78.1Confident63 Ų6364.5 Ų64.527%0.27435%0.347SS..Hα-helixtrans-66.3-41.5177.1178.863.6176.1-179.30111.8D1461 K1506 F1507 I1508 A1513 S1514D1461-K1510 WeakPolarHBondContact OD2-CE 3.45Å; D1461-K1510 IonicContact OD2-NZ 2.75Å; D1461-K1510 PolarHBondContact OD2-NZ 2.79Å; K1506-K1510 WeakPolarHBondContact O-CB 3.35Å; K1506-K1510 PolarHBondContact O-N 2.91Å; F1507-K1510 PolarHBondContact O-N 3.39Å; I1508-K1510 VanDerWaalsContact C-N 3.34Å; I1508-K1510 PolarHBondContact O-N 2.92Å; K1510-A1513 PolarHBondContact O-N 3.39Å; K1510-S1514 WeakPolarHBondContact O-CB 3.28Å; K1510-S1514 PolarHBondContact O-N 2.94Å
1511M81.4Confident79.3Confident69 Ų6958.7 Ų58.734%0.3432%0.324SS..Hα-helixtrans-63.7-45.5176.8-173.1-177.67200112.1F1507 I1508 S1514 A1515F1507-M1511 PolarHBondContact O-N 3.32Å; I1508-M1511 PolarHBondContact O-N 3.14Å; M1511-S1514 WeakPolarHBondContact O-CB 3.22Å; M1511-S1514 PolarHBondContact O-N 3.45Å; M1511-A1515 PolarHBondContact O-N 3.46Å
1512I82.3Confident79.9Confident90 Ų9056.6 Ų56.646%0.46231%0.311SS..Hα-helixtrans-65.2-42.9176.9-67.1170.7000111I1508 S1514 A1515 L1516I1508-I1512 HydrophobicContact CG2-CD1 3.73Å; I1508-I1512 HydrophobicContact CG2-CG1 4.38Å; I1508-I1512 WeakPolarHBondContact O-CG1 3.42Å; I1508-I1512 PolarHBondContact O-N 3.11Å; I1512-S1514 VanDerWaalsContact C-N 3.32Å; I1512-S1514 PolarHBondContact O-N 2.77Å; I1512-A1515 PolarHBondContact O-N 2.78Å; I1512-L1516 HydrophobicContact CG2-CD1 3.85Å; I1512-L1516 HydrophobicContact CG2-CG 4.23Å; I1512-L1516 WeakPolarHBondContact O-CB 3.49Å; I1512-L1516 WeakPolarHBondContact O-CG 3.47Å; I1512-L1516 PolarHBondContact O-N 3.33Å
1513A82.3Confident80.4Confident33 Ų3353 Ų5327%0.27330%0.295SS..Hα-helixtrans-61.6-39.8177.300000112.4Q1509 K1510 D1517Q1509-A1513 WeakPolarHBondContact O-CB 3.38Å; Q1509-A1513 PolarHBondContact O-N 2.84Å; K1510-A1513 PolarHBondContact O-N 3.39Å; A1513-D1517 WeakPolarHBondContact O-CB 3.36Å; A1513-D1517 PolarHBondContact O-N 3.32Å
1514S80.8Confident81.2Confident3 Ų352.6 Ų52.62%0.02129%0.292CS..Hα-helixtrans-60.7-49.6173.3164.10000112.1Y1431 P1436 K1510 M1511 I1512 L1516 D1517 L1518Y1431-S1514 WeakPolarHBondContact OH-CB 3.3Å; Y1431-S1514 PolarHBondContact OH-OG 3.32Å; P1436-S1514 WeakPolarHBondContact CD-OG 3.45Å; P1436-S1514 WeakPolarHBondContact CG-OG 3.31Å; K1510-S1514 WeakPolarHBondContact O-CB 3.28Å; K1510-S1514 PolarHBondContact O-N 2.94Å; M1511-S1514 WeakPolarHBondContact O-CB 3.22Å; M1511-S1514 PolarHBondContact O-N 3.45Å; I1512-S1514 VanDerWaalsContact C-N 3.32Å; I1512-S1514 PolarHBondContact O-N 2.77Å; S1514-L1516 PolarHBondContact O-N 2.96Å; S1514-D1517 PolarHBondContact O-N 3.02Å; S1514-L1518 WeakPolarHBondContact O-CB 3.48Å; S1514-L1518 PolarHBondContact O-N 2.84Å
1515A81.7Confident81.4Confident45 Ų4554.6 Ų54.637%0.37230%0.296SS..Hα-helixtrans-65.3-38.4179.100000113.4P1436 M1511 I1512 C1519P1436-A1515 HydrophobicContact CG-CB 4.48Å; M1511-A1515 PolarHBondContact O-N 3.46Å; I1512-A1515 PolarHBondContact O-N 2.78Å; A1515-C1519 WeakPolarHBondContact O-CB 3.31Å; A1515-C1519 PolarHBondContact O-N 3.22Å
1516L85.9Confident81.5Confident59 Ų5957.4 Ų57.431%0.30930%0.302SS..Hα-helixtrans-66.9-41.4175-71.1173.9000112I1512 S1514 S1520 L1600I1512-L1516 HydrophobicContact CG2-CD1 3.85Å; I1512-L1516 HydrophobicContact CG2-CG 4.23Å; I1512-L1516 WeakPolarHBondContact O-CB 3.49Å; I1512-L1516 WeakPolarHBondContact O-CG 3.47Å; I1512-L1516 PolarHBondContact O-N 3.33Å; S1514-L1516 PolarHBondContact O-N 2.96Å; L1516-S1520 VanDerWaalsContact O-CB 3.3Å; L1516-S1520 WeakPolarHBondContact O-CB 3.2Å; L1516-S1520 PolarHBondContact O-N 2.71Å; L1516-S1520 PolarHBondContact O-OG 3.27Å; L1516-L1600 HydrophobicContact CD2-CD2 3.82Å
1517D82.3Confident81.6Confident13 Ų1352.5 Ų52.57%0.0728%0.281CS..Hα-helixtrans-64.2-45.9175.5-86.1-18.6000110.5Y1431 R1433 A1513 S1514 C1519 S1520 V1521 S1596 R1599Y1431-D1517 HydrophobicContact CE2-CB 4.45Å; R1433-D1517 IonicContact CZ-OD2 2.86Å; R1433-D1517 IonicContact NH1-OD2 3.69Å; R1433-D1517 PolarHBondContact NH1-OD2 3.4Å; R1433-D1517 IonicContact NH2-OD2 2.75Å; A1513-D1517 WeakPolarHBondContact O-CB 3.36Å; A1513-D1517 PolarHBondContact O-N 3.32Å; S1514-D1517 PolarHBondContact O-N 3.02Å; D1517-C1519 PolarHBondContact O-N 2.76Å; D1517-S1520 PolarHBondContact O-N 2.97Å; D1517-S1520 VanDerWaalsContact O-N 3.14Å; D1517-S1520 PolarHBondContact O-OG 2.75Å; D1517-V1521 WeakPolarHBondContact O-CG2 3.31Å; D1517-V1521 PolarHBondContact O-N 3.43Å; D1517-S1596 VanDerWaalsContact OD1-CB 3.23Å; D1517-S1596 WeakPolarHBondContact OD1-CB 3.33Å; D1517-R1599 IonicContact OD1-NH1 3.21Å; D1517-R1599 PolarHBondContact OD1-NH1 3.44Å; D1517-R1599 IonicContact OD2-NH1 2.65Å
1518L82.9Confident81.6Confident63 Ų6353 Ų5333%0.3328%0.282SS..Hα-helixtrans-57.1-48.6175.3-179.165.4000112.5Y1431 S1514 S1520 V1521 T1522Y1431-L1518 HydrophobicContact CD2-CB 4.42Å; Y1431-L1518 HydrophobicContact CD2-CD1 4.39Å; Y1431-L1518 HydrophobicContact CE2-CB 4.36Å; Y1431-L1518 HydrophobicContact CG-CD1 4.25Å; S1514-L1518 WeakPolarHBondContact O-CB 3.48Å; S1514-L1518 PolarHBondContact O-N 2.84Å; L1518-S1520 VanDerWaalsContact C-N 3.33Å; L1518-S1520 PolarHBondContact O-N 2.9Å; L1518-V1521 PolarHBondContact O-N 3.31Å; L1518-T1522 WeakPolarHBondContact O-CG2 3.42Å; L1518-T1522 PolarHBondContact O-N 2.99Å; L1518-T1522 PolarHBondContact O-OG1 3.35Å
1519C84.3Confident81.5Confident54 Ų5452.2 Ų52.237%0.36528%0.277SS..Hα-helixtrans-61-41.7175.2-175.90000111.7A1515 D1517 V1521 T1522 L1523 L1600A1515-C1519 WeakPolarHBondContact O-CB 3.31Å; A1515-C1519 PolarHBondContact O-N 3.22Å; D1517-C1519 PolarHBondContact O-N 2.76Å; C1519-V1521 PolarHBondContact O-N 3.35Å; C1519-T1522 WeakPolarHBondContact CA-OG1 3.16Å; C1519-T1522 PolarHBondContact O-N 2.66Å; C1519-T1522 PolarHBondContact O-OG1 2.54Å; C1519-L1523 PolarHBondContact O-N 3.4Å; C1519-L1523 VanDerWaalsContact O-N 3.1Å; C1519-L1600 HydrophobicContact CB-CD1 4.34Å
1520S85.4Confident81.6Confident0 Ų046.9 Ų46.90%025%0.252CS..Hα-helixtrans-64-39.3177.881.40000112.3L1516 D1517 L1518 N1524 W1591L1516-S1520 VanDerWaalsContact O-CB 3.3Å; L1516-S1520 WeakPolarHBondContact O-CB 3.2Å; L1516-S1520 PolarHBondContact O-N 2.71Å; L1516-S1520 PolarHBondContact O-OG 3.27Å; D1517-S1520 PolarHBondContact O-N 2.97Å; D1517-S1520 VanDerWaalsContact O-N 3.14Å; D1517-S1520 PolarHBondContact O-OG 2.75Å; L1518-S1520 VanDerWaalsContact C-N 3.33Å; L1518-S1520 PolarHBondContact O-N 2.9Å; S1520-N1524 WeakPolarHBondContact O-CB 3.16Å; S1520-N1524 PolarHBondContact O-N 3.08Å; S1520-W1591 WeakPolarHBondContact OG-CH2 3.5Å
1521V81.1Confident81.8Confident28 Ų2845.5 Ų45.517%0.1725%0.245CC..Hα-helixtrans-66.5-45.5177.1172.60000111T1429 D1517 L1518 C1519 N1524 K1525 W1591T1429-V1521 WeakPolarHBondContact O-CG1 3.4Å; D1517-V1521 WeakPolarHBondContact O-CG2 3.31Å; D1517-V1521 PolarHBondContact O-N 3.43Å; L1518-V1521 PolarHBondContact O-N 3.31Å; C1519-V1521 PolarHBondContact O-N 3.35Å; V1521-N1524 PolarHBondContact O-N 3.07Å; V1521-K1525 PolarHBondContact O-N 3.34Å; V1521-W1591 HydrophobicContact CG2-CH2 3.93Å; V1521-W1591 HydrophobicContact CG2-CZ3 4.38Å
1522T78Confident82Confident75 Ų7542.3 Ų42.346%0.4623%0.229SC..Hα-helixtrans-62.4-44.2179.453.60000112.9L1518 C1519 K1525 L1526L1518-T1522 WeakPolarHBondContact O-CG2 3.42Å; L1518-T1522 PolarHBondContact O-N 2.99Å; L1518-T1522 PolarHBondContact O-OG1 3.35Å; C1519-T1522 WeakPolarHBondContact CA-OG1 3.16Å; C1519-T1522 PolarHBondContact O-N 2.66Å; C1519-T1522 PolarHBondContact O-OG1 2.54Å; T1522-K1525 PolarHBondContact O-N 2.93Å; T1522-L1526 PolarHBondContact O-N 3Å
1523L84.5Confident82.2Confident40 Ų4038.3 Ų38.321%0.20921%0.209CC..Hα-helixtrans-65-42.3173.3-72.6174.1000111.9C1519 K1525 L1526 C1527 L1600 A1603 V1604C1519-L1523 PolarHBondContact O-N 3.4Å; C1519-L1523 VanDerWaalsContact O-N 3.1Å; L1523-K1525 VanDerWaalsContact C-N 3.25Å; L1523-K1525 PolarHBondContact O-N 2.95Å; L1523-L1526 PolarHBondContact O-N 3.43Å; L1523-L1526 VanDerWaalsContact O-N 3.1Å; L1523-C1527 PolarHBondContact O-N 2.99Å; L1523-C1527 PolarHBondContact O-SG 3.47Å; L1523-L1600 HydrophobicContact CD1-CD1 3.84Å; L1523-A1603 HydrophobicContact CB-CB 3.85Å; L1523-V1604 HydrophobicContact CD1-CG2 3.72Å
1524N82.9Confident82.3Confident11 Ų1138.3 Ų38.36%0.05921%0.213CC..Hα-helixtrans-63.4-30.9-179.3-167.137.3000112.4S1520 V1521 C1527 R1531 W1591 A1603S1520-N1524 WeakPolarHBondContact O-CB 3.16Å; S1520-N1524 PolarHBondContact O-N 3.08Å; V1521-N1524 PolarHBondContact O-N 3.07Å; N1524-C1527 PolarHBondContact O-N 3.08Å; N1524-R1531 PolarHBondContact ND2-NH1 3.06Å; N1524-R1531 VanDerWaalsContact OD1-CD 3.29Å; N1524-R1531 WeakPolarHBondContact OD1-CD 3.3Å; N1524-R1531 PolarHBondContact OD1-NH1 3.45Å; N1524-W1591 HydrophobicContact CB-CH2 4.23Å; N1524-W1591 HydrophobicContact CB-CZ2 3.82Å; N1524-W1591 VanDerWaalsContact ND2-CE2 3.29Å; N1524-W1591 VanDerWaalsContact ND2-CE3 3.29Å; N1524-W1591 WeakPolarHBondContact ND2-CH2 3.41Å; N1524-W1591 WeakPolarHBondContact ND2-CZ2 3.29Å; N1524-W1591 WeakPolarHBondContact ND2-CZ3 3.49Å; N1524-A1603 HydrophobicContact CB-CB 4.41Å
1525K76Confident82.6Confident95 Ų9539.9 Ų39.941%0.41322%0.219SC..Hα-helixtrans-64.5-41.1171.4-176.5172.4174.1174.40112.6E1423 T1429 V1521 T1522 L1523 C1527E1423-K1525 IonicContact OE1-NZ 3.42Å; E1423-K1525 PolarHBondContact OE1-NZ 2.94Å; E1423-K1525 WeakPolarHBondContact OE2-CE 3.42Å; E1423-K1525 IonicContact OE2-NZ 3.35Å; E1423-K1525 PolarHBondContact OE2-NZ 2.93Å; T1429-K1525 HydrophobicContact CG2-CD 3.99Å; T1429-K1525 HydrophobicContact CG2-CG 4.11Å; V1521-K1525 PolarHBondContact O-N 3.34Å; T1522-K1525 PolarHBondContact O-N 2.93Å; L1523-K1525 VanDerWaalsContact C-N 3.25Å; L1523-K1525 PolarHBondContact O-N 2.95Å; K1525-C1527 VanDerWaalsContact C-N 3.26Å; K1525-C1527 PolarHBondContact O-N 3.4Å
1526L75.7Confident83Confident114 Ų11437.7 Ų37.760%0.59720%0.201SC*.Hα-helixtrans-67.8-23.4176.4-63.9172.9000113.3T1522 L1523T1522-L1526 PolarHBondContact O-N 3Å; L1523-L1526 PolarHBondContact O-N 3.43Å; L1523-L1526 VanDerWaalsContact O-N 3.1Å
1527C82.5Confident83Confident1 Ų135.6 Ų35.61%0.00719%0.19CC..THydrogen-bonded Turntrans-102.211.8-170.6-53.30000114.5L1523 N1524 K1525 E1529 H1530 R1531 N1606 C1607L1523-C1527 PolarHBondContact O-N 2.99Å; L1523-C1527 PolarHBondContact O-SG 3.47Å; N1524-C1527 PolarHBondContact O-N 3.08Å; K1525-C1527 VanDerWaalsContact C-N 3.26Å; K1525-C1527 PolarHBondContact O-N 3.4Å; C1527-E1529 PolarHBondContact O-N 2.72Å; C1527-H1530 PolarHBondContact O-N 3.17Å; C1527-R1531 WeakPolarHBondContact O-CB 3.44Å; C1527-R1531 PolarHBondContact O-N 3.45Å; C1527-R1531 VanDerWaalsContact O-N 3.07Å; C1527-N1606 HydrophobicContact CB-CB 4.05Å; C1527-C1607 WeakPolarHBondContact SG-CA 3.47Å; C1527-C1607 WeakPolarHBondContact SG-CB 3.4Å; C1527-C1607 PolarHBondContact SG-N 3.45Å
1528R79.5Confident83.2Confident37 Ų3737.6 Ų37.614%0.1421%0.205CC..Hα-helixtrans-50.7-56.1-166.8-176.3173.577.2150.2-8.1112.9E1348 D1425 H1530 R1531 Y1532 E1584E1348-R1528 IonicContact OE1-CZ 2.8Å; E1348-R1528 IonicContact OE1-NH2 3.88Å; E1348-R1528 PolarHBondContact OE1-NH2 3.14Å; D1425-R1528 IonicContact OD2-NH1 2.71Å; R1528-H1530 PolarHBondContact O-N 3.27Å; R1528-R1531 PolarHBondContact O-N 3.21Å; R1528-Y1532 WeakPolarHBondContact O-CB 3.46Å; R1528-Y1532 PolarHBondContact O-N 3.31Å; R1528-E1584 IonicContact CZ-OE1 3.15Å; R1528-E1584 IonicContact NE-OE1 2.79Å; R1528-E1584 IonicContact NH1-OE1 3.67Å; R1528-E1584 PolarHBondContact NH1-OE1 3.37Å
1529E78.6Confident83.5Confident63 Ų6338.5 Ų38.529%0.29421%0.206SC..Hα-helixtrans-56-53.9-176.5-51179.3-171.400112.1K1341 L1344 C1527 R1531 Y1532 V1533K1341-E1529 WeakPolarHBondContact CE-OE2 3.32Å; K1341-E1529 IonicContact NZ-OE2 3.63Å; K1341-E1529 PolarHBondContact NZ-OE2 3.29Å; L1344-E1529 HydrophobicContact CD2-CB 3.91Å; L1344-E1529 HydrophobicContact CD2-CG 3.79Å; C1527-E1529 PolarHBondContact O-N 2.72Å; E1529-R1531 PolarHBondContact O-N 3.46Å; E1529-Y1532 PolarHBondContact O-N 2.68Å; E1529-V1533 WeakPolarHBondContact O-CG2 3.34Å; E1529-V1533 PolarHBondContact O-N 2.98Å
1530H84.5Confident83.7Confident28 Ų2836 Ų3613%0.1319%0.189CC..Hα-helixtrans-65.3-40.1-174.6177.2-92.6000111.6C1527 R1528 G1534 N1606 A1610 M1724C1527-H1530 PolarHBondContact O-N 3.17Å; R1528-H1530 PolarHBondContact O-N 3.27Å; H1530-G1534 PolarHBondContact O-N 2.79Å; H1530-N1606 PolarHBondContact ND1-O 3.08Å; H1530-A1610 HydrophobicContact CB-CB 3.66Å; H1530-M1724 WeakPolarHBondContact NE2-CE 3.22Å
1531R84.7Confident83.8Confident34 Ų3437 Ų3713%0.12819%0.194CC..Hα-helixtrans-63.6-44.3176.1-177.9-166.865.7170.17.5111.4N1524 C1527 R1528 E1529 F1535 V1587N1524-R1531 PolarHBondContact ND2-NH1 3.06Å; N1524-R1531 VanDerWaalsContact OD1-CD 3.29Å; N1524-R1531 WeakPolarHBondContact OD1-CD 3.3Å; N1524-R1531 PolarHBondContact OD1-NH1 3.45Å; C1527-R1531 WeakPolarHBondContact O-CB 3.44Å; C1527-R1531 PolarHBondContact O-N 3.45Å; C1527-R1531 VanDerWaalsContact O-N 3.07Å; R1528-R1531 PolarHBondContact O-N 3.21Å; E1529-R1531 PolarHBondContact O-N 3.46Å; R1531-F1535 WeakPolarHBondContact O-CB 3.49Å; R1531-F1535 PolarHBondContact O-N 3.07Å; R1531-V1587 HydrophobicContact CG-CG1 3.67Å
1532Y86Confident84.2Confident2 Ų239.6 Ų39.61%0.00820%0.204CC..Hα-helixtrans-59.6-56.5176.2170.8-96.1000111.2L1340 R1528 E1529 G1534 F1535 V1536 V1574 V1580 M1583 E1584L1340-Y1532 HydrophobicContact CD2-CE1 4.45Å; R1528-Y1532 WeakPolarHBondContact O-CB 3.46Å; R1528-Y1532 PolarHBondContact O-N 3.31Å; E1529-Y1532 PolarHBondContact O-N 2.68Å; Y1532-G1534 VanDerWaalsContact C-N 3.34Å; Y1532-G1534 PolarHBondContact O-N 3.17Å; Y1532-F1535 PolarHBondContact O-N 3.14Å; Y1532-V1536 HydrophobicContact CD2-CG2 4.5Å; Y1532-V1536 HydrophobicContact CE1-CG2 4.3Å; Y1532-V1536 HydrophobicContact CE2-CG2 4.19Å; Y1532-V1536 WeakPolarHBondContact O-CG2 3.34Å; Y1532-V1536 PolarHBondContact O-N 2.94Å; Y1532-V1574 WeakPolarHBondContact OH-CG2 3.21Å; Y1532-V1580 HydrophobicContact CE2-CG1 4.06Å; Y1532-V1580 WeakPolarHBondContact OH-CA 3.22Å; Y1532-M1583 HydrophobicContact CD2-CB 4.47Å; Y1532-M1583 HydrophobicContact CE2-CB 3.66Å; Y1532-E1584 HydrophobicContact CD2-CG 3.53Å; Y1532-E1584 HydrophobicContact CE2-CG 3.82Å; Y1532-E1584 HydrophobicContact CG-CG 4.43Å
1533V86.5Confident84.6Confident7 Ų740.7 Ų40.74%0.04220%0.202CC..Hα-helixtrans-60.2-43-179.3177.80000111.3L1340 E1529 F1535 L1537 L1728L1340-V1533 HydrophobicContact CB-CG1 4.43Å; L1340-V1533 HydrophobicContact CB-CG2 3.97Å; L1340-V1533 HydrophobicContact CD1-CG1 4.33Å; E1529-V1533 WeakPolarHBondContact O-CG2 3.34Å; E1529-V1533 PolarHBondContact O-N 2.98Å; V1533-F1535 PolarHBondContact O-N 3Å; V1533-L1537 HydrophobicContact CG1-CD1 3.81Å; V1533-L1537 HydrophobicContact CG1-CG 4.3Å; V1533-L1537 WeakPolarHBondContact O-CB 3.36Å; V1533-L1537 VanDerWaalsContact O-CG 3.3Å; V1533-L1537 WeakPolarHBondContact O-CG 3.42Å; V1533-L1537 PolarHBondContact O-N 3.11Å; V1533-L1728 HydrophobicContact CG1-CD2 3.84Å
1534G85.3Confident84.8Confident33 Ų3338.8 Ų38.834%0.3419%0.192SC..Hα-helixtrans-63-37.7178.600000113.8H1530 Y1532 S1538H1530-G1534 PolarHBondContact O-N 2.79Å; Y1532-G1534 VanDerWaalsContact C-N 3.34Å; Y1532-G1534 PolarHBondContact O-N 3.17Å; G1534-S1538 WeakPolarHBondContact O-CB 3.41Å; G1534-S1538 PolarHBondContact O-N 3.36Å; G1534-S1538 VanDerWaalsContact O-N 3.09Å; G1534-S1538 PolarHBondContact O-OG 3.34Å
1535F87.2Confident84.9Confident35 Ų3539.1 Ų39.115%0.15419%0.193CC..Hα-helixtrans-70.6-49176.9-178.8-95.1000111.8R1531 Y1532 V1533 L1537 S1538 K1539 M1583 A1586 V1587 D1590R1531-F1535 WeakPolarHBondContact O-CB 3.49Å; R1531-F1535 PolarHBondContact O-N 3.07Å; Y1532-F1535 PolarHBondContact O-N 3.14Å; V1533-F1535 PolarHBondContact O-N 3Å; F1535-L1537 VanDerWaalsContact C-N 3.33Å; F1535-L1537 PolarHBondContact O-N 3.47Å; F1535-S1538 PolarHBondContact O-N 3.26Å; F1535-S1538 VanDerWaalsContact O-N 3.12Å; F1535-S1538 PolarHBondContact O-OG 3.21Å; F1535-K1539 HydrophobicContact CD1-CG 4.39Å; F1535-K1539 HydrophobicContact CE1-CG 4.08Å; F1535-K1539 HydrophobicContact CZ-CG 4.27Å; F1535-K1539 PolarHBondContact O-N 3.25Å; F1535-K1539 VanDerWaalsContact O-N 3.07Å; F1535-M1583 HydrophobicContact CD1-CE 4.01Å; F1535-M1583 HydrophobicContact CE1-CE 3.97Å; F1535-A1586 HydrophobicContact CE1-CB 4.23Å; F1535-V1587 HydrophobicContact CB-CG2 3.51Å; F1535-V1587 HydrophobicContact CD1-CG2 3.35Å; F1535-V1587 HydrophobicContact CD2-CG2 4.2Å; F1535-V1587 HydrophobicContact CE1-CG2 4.03Å; F1535-V1587 HydrophobicContact CG-CG2 3.44Å; F1535-V1587 VanDerWaalsContact CG-CG2 3.44Å; F1535-D1590 HydrophobicContact CE2-CB 3.95Å
1536V88.4Confident85.3Confident0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-54.4-50.9176.51780000109.9L1340 Y1532 S1538 K1539 E1540 L1573 V1574 M1583L1340-V1536 HydrophobicContact CD1-CB 3.94Å; L1340-V1536 HydrophobicContact CD1-CG1 3.61Å; L1340-V1536 HydrophobicContact CD2-CG1 4.21Å; Y1532-V1536 HydrophobicContact CD2-CG2 4.5Å; Y1532-V1536 HydrophobicContact CE1-CG2 4.3Å; Y1532-V1536 HydrophobicContact CE2-CG2 4.19Å; Y1532-V1536 WeakPolarHBondContact O-CG2 3.34Å; Y1532-V1536 PolarHBondContact O-N 2.94Å; V1536-S1538 VanDerWaalsContact C-N 3.33Å; V1536-S1538 PolarHBondContact O-N 3.44Å; V1536-K1539 PolarHBondContact O-N 3.1Å; V1536-K1539 VanDerWaalsContact O-N 3.14Å; V1536-E1540 HydrophobicContact CG1-CG 4.28Å; V1536-E1540 WeakPolarHBondContact O-CG 3.25Å; V1536-E1540 PolarHBondContact O-N 2.94Å; V1536-L1573 HydrophobicContact CG1-CB 4.35Å; V1536-V1574 HydrophobicContact CG1-CG2 4.21Å; V1536-V1574 HydrophobicContact CG2-CG2 4.29Å; V1536-M1583 HydrophobicContact CB-CE 4.42Å; V1536-M1583 HydrophobicContact CG2-CB 4.3Å; V1536-M1583 HydrophobicContact CG2-CE 3.78Å
1537L87.2Confident85.6Confident15 Ų1536.1 Ų36.18%0.07920%0.202CC..Hα-helixtrans-60.6-37178.5-72.3174.8000113.3R1336 V1533 F1535 E1540 K1541 L1728R1336-L1537 HydrophobicContact CB-CD2 3.97Å; R1336-L1537 HydrophobicContact CG-CD2 3.97Å; V1533-L1537 HydrophobicContact CG1-CD1 3.81Å; V1533-L1537 HydrophobicContact CG1-CG 4.3Å; V1533-L1537 WeakPolarHBondContact O-CB 3.36Å; V1533-L1537 VanDerWaalsContact O-CG 3.3Å; V1533-L1537 WeakPolarHBondContact O-CG 3.42Å; V1533-L1537 PolarHBondContact O-N 3.11Å; F1535-L1537 VanDerWaalsContact C-N 3.33Å; F1535-L1537 PolarHBondContact O-N 3.47Å; L1537-E1540 PolarHBondContact O-N 3.44Å; L1537-K1541 WeakPolarHBondContact O-CB 3.3Å; L1537-K1541 VanDerWaalsContact O-CG 3.28Å; L1537-K1541 WeakPolarHBondContact O-CG 3.41Å; L1537-K1541 PolarHBondContact O-N 3.42Å; L1537-L1728 HydrophobicContact CD1-CD2 4.07Å
1538S86.4Confident85.7Confident55 Ų5539 Ų3939%0.38522%0.215SC..Hα-helixtrans-67.9-34.8176.968.80000113G1534 F1535 V1536 Q1542G1534-S1538 WeakPolarHBondContact O-CB 3.41Å; G1534-S1538 PolarHBondContact O-N 3.36Å; G1534-S1538 VanDerWaalsContact O-N 3.09Å; G1534-S1538 PolarHBondContact O-OG 3.34Å; F1535-S1538 PolarHBondContact O-N 3.26Å; F1535-S1538 VanDerWaalsContact O-N 3.12Å; F1535-S1538 PolarHBondContact O-OG 3.21Å; V1536-S1538 VanDerWaalsContact C-N 3.33Å; V1536-S1538 PolarHBondContact O-N 3.44Å; S1538-Q1542 WeakPolarHBondContact O-CB 3.5Å; S1538-Q1542 PolarHBondContact O-N 2.72Å
1539K88.5Confident85.8Confident81 Ų8140 Ų4035%0.35223%0.228SC..Hα-helixtrans-71.9-41.3173.8-67.1-62-177-174.20112.2F1535 V1536 Q1542 K1543 L1573F1535-K1539 HydrophobicContact CD1-CG 4.39Å; F1535-K1539 HydrophobicContact CE1-CG 4.08Å; F1535-K1539 HydrophobicContact CZ-CG 4.27Å; F1535-K1539 PolarHBondContact O-N 3.25Å; F1535-K1539 VanDerWaalsContact O-N 3.07Å; V1536-K1539 PolarHBondContact O-N 3.1Å; V1536-K1539 VanDerWaalsContact O-N 3.14Å; K1539-Q1542 PolarHBondContact O-N 2.89Å; K1539-K1543 PolarHBondContact O-N 3.32Å; K1539-L1573 HydrophobicContact CB-CD1 3.5Å; K1539-L1573 VanDerWaalsContact CB-CD1 3.5Å
1540E88.8Confident85.9Confident2 Ų243.8 Ų43.81%0.00925%0.246CC..Hα-helixtrans-63.7-39.6174.3-64.8-178.5164.100111.1L1333 R1336 V1536 L1537 K1543 L1544 L1571 Q1572 L1573L1333-E1540 HydrophobicContact CD1-CB 4.39Å; L1333-E1540 HydrophobicContact CD2-CB 4.48Å; R1336-E1540 WeakPolarHBondContact CG-OE2 3.46Å; R1336-E1540 IonicContact CZ-OE1 3.63Å; R1336-E1540 IonicContact NE-OE1 2.76Å; R1336-E1540 PolarHBondContact NE-OE1 3.36Å; R1336-E1540 VanDerWaalsContact NE-OE1 3.1Å; R1336-E1540 IonicContact NE-OE2 2.74Å; R1336-E1540 PolarHBondContact NE-OE2 3.27Å; R1336-E1540 IonicContact NH2-OE1 3.7Å; R1336-E1540 PolarHBondContact NH2-OE1 2.9Å; V1536-E1540 HydrophobicContact CG1-CG 4.28Å; V1536-E1540 WeakPolarHBondContact O-CG 3.25Å; V1536-E1540 PolarHBondContact O-N 2.94Å; L1537-E1540 PolarHBondContact O-N 3.44Å; E1540-K1543 PolarHBondContact O-N 2.86Å; E1540-L1544 WeakPolarHBondContact O-CB 3.41Å; E1540-L1544 PolarHBondContact O-N 2.99Å; E1540-L1571 WeakPolarHBondContact CG-O 3.09Å; E1540-Q1572 WeakPolarHBondContact OE1-CA 3.47Å; E1540-L1573 HydrophobicContact CG-CD1 3.9Å; E1540-L1573 HydrophobicContact CG-CG 4.11Å; E1540-L1573 PolarHBondContact OE1-N 3.13Å
1541K88.4Confident85.7Confident21 Ų2143.4 Ų43.49%0.09125%0.246CC..Hα-helixtrans-61.6-46.2170.4-80.3177.4172.4-175.10113.3E1326 E1330 L1333 L1537 K1543 L1544 K1545E1326-K1541 WeakPolarHBondContact OE1-CE 3.32Å; E1326-K1541 IonicContact OE1-NZ 3.75Å; E1326-K1541 PolarHBondContact OE1-NZ 2.93Å; E1330-K1541 IonicContact OE1-NZ 3.51Å; E1330-K1541 PolarHBondContact OE1-NZ 2.74Å; L1333-K1541 HydrophobicContact CD1-CB 4.21Å; L1333-K1541 HydrophobicContact CD1-CG 3.56Å; L1537-K1541 WeakPolarHBondContact O-CB 3.3Å; L1537-K1541 VanDerWaalsContact O-CG 3.28Å; L1537-K1541 WeakPolarHBondContact O-CG 3.41Å; L1537-K1541 PolarHBondContact O-N 3.42Å; K1541-K1543 VanDerWaalsContact C-N 3.29Å; K1541-K1543 PolarHBondContact O-N 3.26Å; K1541-L1544 WeakPolarHBondContact O-CB 3.44Å; K1541-L1544 PolarHBondContact O-N 3.32Å; K1541-L1544 VanDerWaalsContact O-N 3.17Å; K1541-K1545 PolarHBondContact O-N 3Å
1542Q87.8Confident85.5Confident82 Ų8241.9 Ų41.938%0.38324%0.24SC..Hα-helixtrans-59.2-43.5179.2-172.2-178.64.500110.5S1538 K1539 K1545 S1546S1538-Q1542 WeakPolarHBondContact O-CB 3.5Å; S1538-Q1542 PolarHBondContact O-N 2.72Å; K1539-Q1542 PolarHBondContact O-N 2.89Å; Q1542-K1545 PolarHBondContact O-N 3.45Å; Q1542-S1546 PolarHBondContact O-N 2.98Å; Q1542-S1546 PolarHBondContact O-OG 2.8Å
1543K87.6Confident85.1Confident98 Ų9842.4 Ų42.443%0.42625%0.245SC..Hα-helixtrans-64.5-38.3175.4-166.3179.4-177.6-176.40112.5K1539 E1540 K1541 S1546 G1547 S1570 L1571K1539-K1543 PolarHBondContact O-N 3.32Å; E1540-K1543 PolarHBondContact O-N 2.86Å; K1541-K1543 VanDerWaalsContact C-N 3.29Å; K1541-K1543 PolarHBondContact O-N 3.26Å; K1543-S1546 PolarHBondContact O-OG 2.68Å; K1543-G1547 PolarHBondContact O-N 3.08Å; K1543-S1570 PolarHBondContact NZ-O 2.96Å; K1543-L1571 HydrophobicContact CB-CD2 4.24Å; K1543-L1571 HydrophobicContact CD-CD2 3.87Å; K1543-L1571 HydrophobicContact CG-CD2 3.8Å
1544L87.6Confident84.5Confident0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-64.2-45.2174.8178.563.2000111.9I1332 L1333 E1540 K1541 H1548 L1552 V1566 L1571I1332-L1544 HydrophobicContact CB-CD2 4.11Å; I1332-L1544 HydrophobicContact CD1-CD2 4.26Å; I1332-L1544 HydrophobicContact CG2-CD2 3.88Å; L1333-L1544 HydrophobicContact CD1-CD2 4.04Å; L1333-L1544 HydrophobicContact CG-CD2 4.23Å; E1540-L1544 WeakPolarHBondContact O-CB 3.41Å; E1540-L1544 PolarHBondContact O-N 2.99Å; K1541-L1544 WeakPolarHBondContact O-CB 3.44Å; K1541-L1544 PolarHBondContact O-N 3.32Å; K1541-L1544 VanDerWaalsContact O-N 3.17Å; L1544-H1548 HydrophobicContact CD1-CB 4.49Å; L1544-H1548 WeakPolarHBondContact O-CB 3.4Å; L1544-H1548 PolarHBondContact O-N 2.93Å; L1544-L1552 HydrophobicContact CG-CD1 4.45Å; L1544-V1566 HydrophobicContact CD1-CG1 4.01Å; L1544-V1566 HydrophobicContact CD1-CG2 4.2Å; L1544-L1571 HydrophobicContact CB-CD1 4.39Å; L1544-L1571 HydrophobicContact CD1-CD1 3.99Å
1545K86.3Confident83.7Confident18 Ų1846.6 Ų46.68%0.07826%0.261CS..Hα-helixtrans-65.1-43.6178.6-74.3174.1179.5178.10113D1151 V1325 E1326 K1541 Q1542 S1549 L1552D1151-K1545 IonicContact OD1-NZ 3.74Å; D1151-K1545 PolarHBondContact OD1-NZ 2.96Å; D1151-K1545 WeakPolarHBondContact OD2-CD 3.42Å; D1151-K1545 WeakPolarHBondContact OD2-CE 3.45Å; D1151-K1545 IonicContact OD2-NZ 2.69Å; D1151-K1545 PolarHBondContact OD2-NZ 3.38Å; V1325-K1545 HydrophobicContact CG1-CG 4.24Å; E1326-K1545 WeakPolarHBondContact OE2-CE 3.16Å; E1326-K1545 IonicContact OE2-NZ 2.93Å; E1326-K1545 PolarHBondContact OE2-NZ 3.44Å; K1541-K1545 PolarHBondContact O-N 3Å; Q1542-K1545 PolarHBondContact O-N 3.45Å; K1545-S1549 WeakPolarHBondContact O-CA 3.48Å; K1545-S1549 WeakPolarHBondContact O-CB 3.37Å; K1545-S1549 PolarHBondContact O-N 3.43Å; K1545-L1552 HydrophobicContact CG-CD1 4.25Å
1546S84.4Confident82.9Confident95 Ų9548.3 Ų48.366%0.66428%0.278SS*.Hα-helixtrans-71.5-35.2179.561.30000112.9Q1542 K1543Q1542-S1546 PolarHBondContact O-N 2.98Å; Q1542-S1546 PolarHBondContact O-OG 2.8Å; K1543-S1546 PolarHBondContact O-OG 2.68Å
1547G82.4Confident82.1Confident52 Ų5254.7 Ų54.754%0.53630%0.302SS..Hα-helixtrans-80.5-24.4179.800000115.2K1543K1543-G1547 PolarHBondContact O-N 3.08Å
1548H83.8Confident81.2Confident60 Ų6058.6 Ų58.628%0.27832%0.318SS..SBendtrans-136.429.4-169.9-60.989.7000113.9L1544 E1550 S1551 L1552L1544-H1548 HydrophobicContact CD1-CB 4.49Å; L1544-H1548 WeakPolarHBondContact O-CB 3.4Å; L1544-H1548 PolarHBondContact O-N 2.93Å; H1548-E1550 VanDerWaalsContact C-N 3.35Å; H1548-E1550 PolarHBondContact O-N 2.8Å; H1548-S1551 PolarHBondContact O-N 2.69Å; H1548-L1552 WeakPolarHBondContact O-CG 3.44Å; H1548-L1552 PolarHBondContact O-N 2.96Å
1549S80.7Confident80.6Confident58 Ų5857 Ų5741%0.40631%0.305SS..Hα-helixtrans-51.8-45.7-17856.20000113.8K1545 L1552 S1553K1545-S1549 WeakPolarHBondContact O-CA 3.48Å; K1545-S1549 WeakPolarHBondContact O-CB 3.37Å; K1545-S1549 PolarHBondContact O-N 3.43Å; S1549-L1552 PolarHBondContact O-N 2.98Å; S1549-S1553 WeakPolarHBondContact O-CB 3.46Å; S1549-S1553 PolarHBondContact O-N 3.04Å; S1549-S1553 PolarHBondContact O-OG 3.22Å
1550E81.5Confident79.9Confident144 Ų14457 Ų5767%0.67331%0.312SS*.Hα-helixtrans-64-39.9176.1-64.5-169.8157.300112.6H1548 L1552 S1553 N1554H1548-E1550 VanDerWaalsContact C-N 3.35Å; H1548-E1550 PolarHBondContact O-N 2.8Å; E1550-L1552 VanDerWaalsContact C-N 3.34Å; E1550-S1553 WeakPolarHBondContact CA-OG 3.29Å; E1550-S1553 PolarHBondContact O-OG 3.42Å; E1550-S1553 VanDerWaalsContact O-OG 3.11Å; E1550-N1554 VanDerWaalsContact O-CB 3.22Å; E1550-N1554 WeakPolarHBondContact O-CB 3.25Å; E1550-N1554 PolarHBondContact O-N 3.1Å
1551S80.4Confident79.4Confident20 Ų2060.3 Ų60.314%0.1433%0.33CS..Hα-helixtrans-70.5-32.1178.2-164.60000112.1H1548 I1562H1548-S1551 PolarHBondContact O-N 2.69Å; S1551-I1562 WeakPolarHBondContact O-CD1 3.26Å
1552L79.8Confident78.9Confident1 Ų159.4 Ų59.41%0.00533%0.326CS..Hα-helixtrans-75.4-37176.1-69.4170000112.5V1325 R1328 I1332 L1544 K1545 H1548 S1549 E1550V1325-L1552 HydrophobicContact CG1-CB 4.36Å; V1325-L1552 HydrophobicContact CG1-CD1 4.25Å; R1328-L1552 HydrophobicContact CB-CD2 4.35Å; R1328-L1552 WeakPolarHBondContact CD-O 3.13Å; R1328-L1552 PolarHBondContact NE-O 3.48Å; I1332-L1552 HydrophobicContact CD1-CD2 3.68Å; L1544-L1552 HydrophobicContact CG-CD1 4.45Å; K1545-L1552 HydrophobicContact CG-CD1 4.25Å; H1548-L1552 WeakPolarHBondContact O-CG 3.44Å; H1548-L1552 PolarHBondContact O-N 2.96Å; S1549-L1552 PolarHBondContact O-N 2.98Å; E1550-L1552 VanDerWaalsContact C-N 3.34Å
1553S77.5Confident78.3Confident14 Ų1459.4 Ų59.410%0.09832%0.322CS..Hα-helixtrans-76.3-28.9176.551.90000113.2S1549 E1550 T1555S1549-S1553 WeakPolarHBondContact O-CB 3.46Å; S1549-S1553 PolarHBondContact O-N 3.04Å; S1549-S1553 PolarHBondContact O-OG 3.22Å; E1550-S1553 WeakPolarHBondContact CA-OG 3.29Å; E1550-S1553 PolarHBondContact O-OG 3.42Å; E1550-S1553 VanDerWaalsContact O-OG 3.11Å; S1553-T1555 PolarHBondContact O-N 3.35Å; S1553-T1555 VanDerWaalsContact O-N 3.15Å
1554N75Confident77.8Confident67 Ų6759.4 Ų59.436%0.35834%0.335SS..  trans-70.4108.1177.3-169.8-17.5000112.1R1328 E1550 S1556R1328-N1554 PolarHBondContact NH2-O 3.01Å; E1550-N1554 VanDerWaalsContact O-CB 3.22Å; E1550-N1554 WeakPolarHBondContact O-CB 3.25Å; E1550-N1554 PolarHBondContact O-N 3.1Å; N1554-S1556 VanDerWaalsContact C-N 3.3Å; N1554-S1556 PolarHBondContact O-N 2.69Å; N1554-S1556 WeakPolarHBondContact OD1-CB 3.35Å; N1554-S1556 PolarHBondContact OD1-N 2.87Å; N1554-S1556 PolarHBondContact OD1-OG 2.76Å
1555T67.2Low77.4Confident61 Ų6162.8 Ų62.837%0.37436%0.363SS..THydrogen-bonded Turntrans-77.7-9.3-178.3540000114.4I1140 M1208 S1553I1140-T1555 HydrophobicContact CD1-CG2 3.88Å; M1208-T1555 HydrophobicContact CB-CG2 4.45Å; M1208-T1555 HydrophobicContact CE-CG2 4.49Å; M1208-T1555 HydrophobicContact SD-CG2 3.43Å; M1208-T1555 WeakPolarHBondContact SD-CG2 3.15Å; S1553-T1555 PolarHBondContact O-N 3.35Å; S1553-T1555 VanDerWaalsContact O-N 3.15Å
1556S71.4Confident76.9Confident71 Ų7162.2 Ų62.250%0.49736%0.361SS..THydrogen-bonded Turntrans-75.5-24.2-176.768.10000114.4N1554N1554-S1556 VanDerWaalsContact C-N 3.3Å; N1554-S1556 PolarHBondContact O-N 2.69Å; N1554-S1556 WeakPolarHBondContact OD1-CB 3.35Å; N1554-S1556 PolarHBondContact OD1-N 2.87Å; N1554-S1556 PolarHBondContact OD1-OG 2.76Å
1557R72Confident76.5Confident134 Ų13462.4 Ų62.451%0.50635%0.354SS..SBendtrans-92.1144.3-178.8-65.5-177.5173.4-179.6-3.1111.7I1562R1557-I1562 HydrophobicContact CB-CD1 4.23Å; R1557-I1562 HydrophobicContact CB-CG1 4.05Å
1558K67.9Low76.1Confident97 Ų9762.2 Ų62.242%0.42234%0.341SS..  trans-69.7148.3171.4-60.5164.2178.3173.90109.8S1210 T1560 D1561 I1562S1210-K1558 WeakPolarHBondContact OG-CG 3.43Å; K1558-T1560 VanDerWaalsContact CB-OG1 3.3Å; K1558-T1560 WeakPolarHBondContact CB-OG1 3.28Å; K1558-T1560 PolarHBondContact O-N 3.25Å; K1558-D1561 HydrophobicContact CB-CB 4.4Å; K1558-D1561 WeakPolarHBondContact CB-OD2 3.46Å; K1558-D1561 PolarHBondContact O-N 2.82Å; K1558-D1561 VanDerWaalsContact O-N 3.08Å; K1558-I1562 WeakPolarHBondContact O-CG1 3.37Å; K1558-I1562 PolarHBondContact O-N 2.97Å
1559L73.9Confident75.7Confident21 Ų2162.8 Ų62.811%0.1135%0.35CS..Hα-helixtrans-63.8-27.4174.4-88.975000112.9V1207 V1331 D1561 R1563V1207-L1559 HydrophobicContact CG1-CD1 4.11Å; V1207-L1559 HydrophobicContact CG1-CD2 3.61Å; V1331-L1559 HydrophobicContact CB-CD2 3.86Å; V1331-L1559 HydrophobicContact CG1-CD2 3.74Å; L1559-D1561 VanDerWaalsContact C-N 3.33Å; L1559-R1563 VanDerWaalsContact O-CB 3.3Å; L1559-R1563 WeakPolarHBondContact O-CB 3.35Å; L1559-R1563 PolarHBondContact O-N 2.98Å
1560T73.4Confident75.7Confident80 Ų8062.9 Ų62.949%0.49135%0.351SS..Hα-helixtrans-59.8-45.8170.944.70000111.2K1558 R1563 S1564K1558-T1560 VanDerWaalsContact CB-OG1 3.3Å; K1558-T1560 WeakPolarHBondContact CB-OG1 3.28Å; K1558-T1560 PolarHBondContact O-N 3.25Å; T1560-R1563 WeakPolarHBondContact O-CB 3.34Å; T1560-R1563 PolarHBondContact O-N 3Å; T1560-S1564 PolarHBondContact O-N 3.14Å; T1560-S1564 PolarHBondContact O-OG 3.16Å
1561D78Confident75.4Confident73 Ų7356.4 Ų56.439%0.3932%0.32SS..Hα-helixtrans-73-37.6-174.3-45.2-6000109.9K1558 L1559 S1564 A1565K1558-D1561 HydrophobicContact CB-CB 4.4Å; K1558-D1561 WeakPolarHBondContact CB-OD2 3.46Å; K1558-D1561 PolarHBondContact O-N 2.82Å; K1558-D1561 VanDerWaalsContact O-N 3.08Å; L1559-D1561 VanDerWaalsContact C-N 3.33Å; D1561-S1564 WeakPolarHBondContact CA-OG 3.39Å; D1561-S1564 PolarHBondContact O-N 3.38Å; D1561-S1564 PolarHBondContact O-OG 3.35Å; D1561-A1565 VanDerWaalsContact O-CB 3.31Å; D1561-A1565 WeakPolarHBondContact O-CB 3.08Å; D1561-A1565 PolarHBondContact O-N 3.22Å
1562I77.6Confident75.3Confident2 Ų258.9 Ų58.91%0.0133%0.33CS..Hα-helixtrans-61.2-45.5169.4-62.4167.4000110I1332 S1551 R1557 K1558 S1564 A1565 V1566I1332-I1562 HydrophobicContact CD1-CG2 3.9Å; S1551-I1562 WeakPolarHBondContact O-CD1 3.26Å; R1557-I1562 HydrophobicContact CB-CD1 4.23Å; R1557-I1562 HydrophobicContact CB-CG1 4.05Å; K1558-I1562 WeakPolarHBondContact O-CG1 3.37Å; K1558-I1562 PolarHBondContact O-N 2.97Å; I1562-S1564 VanDerWaalsContact C-N 3.32Å; I1562-S1564 PolarHBondContact O-N 3.08Å; I1562-A1565 PolarHBondContact O-N 3.14Å; I1562-A1565 VanDerWaalsContact O-N 3.16Å; I1562-V1566 HydrophobicContact CG2-CG2 4.22Å; I1562-V1566 VanDerWaalsContact O-CG2 3.27Å; I1562-V1566 WeakPolarHBondContact O-CG2 3.38Å; I1562-V1566 PolarHBondContact O-N 3.5Å
1563R76.5Confident75.4Confident81 Ų8161.8 Ų61.831%0.30635%0.345SS..Hα-helixtrans-64.4-32.4178.7-177.5177.1173.8141-7113.1I1332 L1559 T1560 L1568I1332-R1563 PolarHBondContact O-NH1 2.93Å; L1559-R1563 VanDerWaalsContact O-CB 3.3Å; L1559-R1563 WeakPolarHBondContact O-CB 3.35Å; L1559-R1563 PolarHBondContact O-N 2.98Å; T1560-R1563 WeakPolarHBondContact O-CB 3.34Å; T1560-R1563 PolarHBondContact O-N 3Å; R1563-L1568 HydrophobicContact CG-CD1 4.1Å
1564S76.9Confident75.6Confident99 Ų9961.1 Ų61.169%0.69234%0.34SS*.Hα-helixtrans-79.2-24.217351.20000113.9T1560 D1561 I1562T1560-S1564 PolarHBondContact O-N 3.14Å; T1560-S1564 PolarHBondContact O-OG 3.16Å; D1561-S1564 WeakPolarHBondContact CA-OG 3.39Å; D1561-S1564 PolarHBondContact O-N 3.38Å; D1561-S1564 PolarHBondContact O-OG 3.35Å; I1562-S1564 VanDerWaalsContact C-N 3.32Å; I1562-S1564 PolarHBondContact O-N 3.08Å
1565A78.4Confident75.7Confident71 Ų7163.6 Ų63.659%0.58735%0.35SS*.Hα-helixtrans-83.2-21.7176.300000113.2D1561 I1562D1561-A1565 VanDerWaalsContact O-CB 3.31Å; D1561-A1565 WeakPolarHBondContact O-CB 3.08Å; D1561-A1565 PolarHBondContact O-N 3.22Å; I1562-A1565 PolarHBondContact O-N 3.14Å; I1562-A1565 VanDerWaalsContact O-N 3.16Å
1566V75.5Confident76.3Confident6 Ų663 Ų634%0.03635%0.348CS..SBendtrans-87.3119.4176.81710000109.8L1544 I1562 L1568 L1571L1544-V1566 HydrophobicContact CD1-CG1 4.01Å; L1544-V1566 HydrophobicContact CD1-CG2 4.2Å; I1562-V1566 HydrophobicContact CG2-CG2 4.22Å; I1562-V1566 VanDerWaalsContact O-CG2 3.27Å; I1562-V1566 WeakPolarHBondContact O-CG2 3.38Å; I1562-V1566 PolarHBondContact O-N 3.5Å; V1566-L1568 VanDerWaalsContact C-N 3.34Å; V1566-L1568 PolarHBondContact O-N 3.29Å; V1566-L1571 HydrophobicContact CG1-CD1 3.48Å; V1566-L1571 VanDerWaalsContact CG1-CD1 3.48Å; V1566-L1571 HydrophobicContact CG1-CG 4.44Å
1567D77.1Confident76.6Confident99 Ų9961.8 Ų61.853%0.52934%0.343SS..  trans-6986.4175-177.818.3000111.2P1569 S1570D1567-P1569 VanDerWaalsContact OD1-CD 3.31Å; D1567-P1569 WeakPolarHBondContact OD1-CD 3.49Å; D1567-S1570 WeakPolarHBondContact O-CB 3.28Å; D1567-S1570 PolarHBondContact O-N 2.95Å; D1567-S1570 PolarHBondContact O-OG 3.48Å; D1567-S1570 WeakPolarHBondContact OD2-CB 3.19Å
1568L73.9Confident77.1Confident48 Ų4861.3 Ų61.325%0.25135%0.35SS..Hα-helixtrans-53-46-176.2-81.8159000113.8R1563 V1566 S1570 L1571 Q1572R1563-L1568 HydrophobicContact CG-CD1 4.1Å; V1566-L1568 VanDerWaalsContact C-N 3.34Å; V1566-L1568 PolarHBondContact O-N 3.29Å; L1568-S1570 VanDerWaalsContact C-N 3.29Å; L1568-S1570 PolarHBondContact O-N 3.38Å; L1568-L1571 WeakPolarHBondContact O-CB 3.43Å; L1568-L1571 PolarHBondContact O-N 3.36Å; L1568-Q1572 PolarHBondContact O-N 2.71Å
1569P75.8Confident77.9Confident72 Ų7258.9 Ų58.947%0.46834%0.342SS..Hα-helixtrans-49.8-42.9171.6-31.134.9000114.5D1567 L1571 Q1572D1567-P1569 VanDerWaalsContact OD1-CD 3.31Å; D1567-P1569 WeakPolarHBondContact OD1-CD 3.49Å; P1569-L1571 PolarHBondContact O-N 2.98Å; P1569-L1571 VanDerWaalsContact O-N 3.16Å; P1569-Q1572 WeakPolarHBondContact O-CB 3.4Å; P1569-Q1572 PolarHBondContact O-N 3.12Å; P1569-Q1572 VanDerWaalsContact O-N 3.09Å
1570S79Confident78.2Confident60 Ų6058 Ų5842%0.4234%0.337SS..Hα-helixtrans-63.7-21.4179.479.60000113.8K1543 D1567 L1568K1543-S1570 PolarHBondContact NZ-O 2.96Å; D1567-S1570 WeakPolarHBondContact O-CB 3.28Å; D1567-S1570 PolarHBondContact O-N 2.95Å; D1567-S1570 PolarHBondContact O-OG 3.48Å; D1567-S1570 WeakPolarHBondContact OD2-CB 3.19Å; L1568-S1570 VanDerWaalsContact C-N 3.29Å; L1568-S1570 PolarHBondContact O-N 3.38Å
1571L75.6Confident78.5Confident7 Ų759.3 Ų59.34%0.03734%0.338CS..Hα-helixtrans-86.2-20.2177.4-63.6176.9000113E1540 K1543 L1544 V1566 L1568 P1569E1540-L1571 WeakPolarHBondContact CG-O 3.09Å; K1543-L1571 HydrophobicContact CB-CD2 4.24Å; K1543-L1571 HydrophobicContact CD-CD2 3.87Å; K1543-L1571 HydrophobicContact CG-CD2 3.8Å; L1544-L1571 HydrophobicContact CB-CD1 4.39Å; L1544-L1571 HydrophobicContact CD1-CD1 3.99Å; V1566-L1571 HydrophobicContact CG1-CD1 3.48Å; V1566-L1571 VanDerWaalsContact CG1-CD1 3.48Å; V1566-L1571 HydrophobicContact CG1-CG 4.44Å; L1568-L1571 WeakPolarHBondContact O-CB 3.43Å; L1568-L1571 PolarHBondContact O-N 3.36Å; P1569-L1571 PolarHBondContact O-N 2.98Å; P1569-L1571 VanDerWaalsContact O-N 3.16Å
1572Q78.9Confident78.8Confident73 Ų7362.9 Ų62.934%0.34135%0.35SS..  trans-70.4128.5-172.4-68.5177.810.400112.5E1540 L1568 P1569E1540-Q1572 WeakPolarHBondContact OE1-CA 3.47Å; L1568-Q1572 PolarHBondContact O-N 2.71Å; P1569-Q1572 WeakPolarHBondContact O-CB 3.4Å; P1569-Q1572 PolarHBondContact O-N 3.12Å; P1569-Q1572 VanDerWaalsContact O-N 3.09Å
1573L82.3Confident79.2Confident62 Ų6263.8 Ų63.833%0.32535%0.354SS..SBendtrans-93.4-8.1178.3-73168.2000114.8V1536 K1539 E1540 M1583V1536-L1573 HydrophobicContact CG1-CB 4.35Å; K1539-L1573 HydrophobicContact CB-CD1 3.5Å; K1539-L1573 VanDerWaalsContact CB-CD1 3.5Å; E1540-L1573 HydrophobicContact CG-CD1 3.9Å; E1540-L1573 HydrophobicContact CG-CG 4.11Å; E1540-L1573 PolarHBondContact OE1-N 3.13Å; L1573-M1583 HydrophobicContact CB-CE 4.24Å; L1573-M1583 HydrophobicContact CD1-CE 3.87Å
1574V81.4Confident79.5Confident0 Ų060.3 Ų60.30%034%0.342CS..  trans-141.3119.3-170.5-1790000109.2R1336 L1340 Y1532 V1536 D1579 V1580 M1583R1336-V1574 PolarHBondContact NH1-O 3.2Å; R1336-V1574 PolarHBondContact NH2-O 2.85Å; L1340-V1574 HydrophobicContact CD2-CB 3.82Å; L1340-V1574 HydrophobicContact CD2-CG1 4.1Å; L1340-V1574 HydrophobicContact CD2-CG2 4.05Å; Y1532-V1574 WeakPolarHBondContact OH-CG2 3.21Å; V1536-V1574 HydrophobicContact CG1-CG2 4.21Å; V1536-V1574 HydrophobicContact CG2-CG2 4.29Å; V1574-D1579 HydrophobicContact CB-CB 4.42Å; V1574-D1579 HydrophobicContact CG1-CB 4.2Å; V1574-V1580 HydrophobicContact CG1-CG2 3.84Å; V1574-M1583 HydrophobicContact CG2-CB 4.47Å; V1574-M1583 HydrophobicContact CG2-CG 3.93Å
1575Q77.6Confident79.7Confident118 Ų11859.1 Ų59.155%0.55133%0.33SS*.SBendtrans-131.8-32.2175.6-66.6-176.9-7.700112.3D1579Q1575-D1579 PolarHBondContact N-OD2 3.42Å
1576S80.2Confident80.1Confident48 Ų4857.6 Ų57.634%0.33632%0.318SS..SBendtrans-114.6165.3-179.971.90000113.2N1578 D1579 V1580S1576-N1578 VanDerWaalsContact C-N 3.26Å; S1576-N1578 PolarHBondContact O-N 3.11Å; S1576-D1579 WeakPolarHBondContact CB-OD2 3.27Å; S1576-D1579 PolarHBondContact N-OD2 2.88Å; S1576-D1579 WeakPolarHBondContact O-CB 3.23Å; S1576-D1579 PolarHBondContact O-N 2.9Å; S1576-D1579 VanDerWaalsContact O-N 3.15Å; S1576-D1579 PolarHBondContact OG-N 2.91Å; S1576-D1579 PolarHBondContact OG-OD2 3.45Å; S1576-V1580 PolarHBondContact O-N 3.43Å
1577A76.5Confident80.5Confident47 Ų4757.5 Ų57.539%0.38832%0.317SS..Hα-helixtrans-61.2-31.417400000113.3D1579 V1580 E1581A1577-D1579 VanDerWaalsContact C-N 3.34Å; A1577-V1580 WeakPolarHBondContact O-CB 3.28Å; A1577-V1580 PolarHBondContact O-N 3.19Å; A1577-E1581 PolarHBondContact O-N 3.22Å
1578N82.9Confident80.5Confident123 Ų12353.9 Ų53.966%0.65830%0.299SS*.Hα-helixtrans-69.9-31.7175.9-66.3-2.9000111.9S1576 V1580 E1581 K1582S1576-N1578 VanDerWaalsContact C-N 3.26Å; S1576-N1578 PolarHBondContact O-N 3.11Å; N1578-V1580 VanDerWaalsContact C-N 3.26Å; N1578-V1580 PolarHBondContact O-N 2.74Å; N1578-E1581 PolarHBondContact O-N 2.97Å; N1578-K1582 WeakPolarHBondContact O-CB 3.28Å; N1578-K1582 PolarHBondContact O-N 2.9Å
1579D83.9Confident80.9Confident46 Ų4655 Ų5525%0.24631%0.308CS..Hα-helixtrans-68.6-28.5173.4-56.9-51.8000111.7V1574 Q1575 S1576 A1577 M1583V1574-D1579 HydrophobicContact CB-CB 4.42Å; V1574-D1579 HydrophobicContact CG1-CB 4.2Å; Q1575-D1579 PolarHBondContact N-OD2 3.42Å; S1576-D1579 WeakPolarHBondContact CB-OD2 3.27Å; S1576-D1579 PolarHBondContact N-OD2 2.88Å; S1576-D1579 WeakPolarHBondContact O-CB 3.23Å; S1576-D1579 PolarHBondContact O-N 2.9Å; S1576-D1579 VanDerWaalsContact O-N 3.15Å; S1576-D1579 PolarHBondContact OG-N 2.91Å; S1576-D1579 PolarHBondContact OG-OD2 3.45Å; A1577-D1579 VanDerWaalsContact C-N 3.34Å; D1579-M1583 WeakPolarHBondContact O-CB 3.3Å; D1579-M1583 VanDerWaalsContact O-CG 3.28Å; D1579-M1583 WeakPolarHBondContact O-CG 3.42Å; D1579-M1583 PolarHBondContact O-N 3.47Å
1580V80.3Confident81.2Confident3 Ų354.3 Ų54.32%0.01830%0.3CS..Hα-helixtrans-62.3-54.7173-176.80000109.7L1344 Y1532 V1574 S1576 A1577 N1578 K1582 M1583 E1584L1344-V1580 HydrophobicContact CD1-CG1 4.17Å; Y1532-V1580 HydrophobicContact CE2-CG1 4.06Å; Y1532-V1580 WeakPolarHBondContact OH-CA 3.22Å; V1574-V1580 HydrophobicContact CG1-CG2 3.84Å; S1576-V1580 PolarHBondContact O-N 3.43Å; A1577-V1580 WeakPolarHBondContact O-CB 3.28Å; A1577-V1580 PolarHBondContact O-N 3.19Å; N1578-V1580 VanDerWaalsContact C-N 3.26Å; N1578-V1580 PolarHBondContact O-N 2.74Å; V1580-K1582 VanDerWaalsContact C-N 3.34Å; V1580-K1582 PolarHBondContact O-N 3.39Å; V1580-M1583 CarbonylContact O-C 3.57Å; V1580-M1583 PolarHBondContact O-N 2.92Å; V1580-M1583 VanDerWaalsContact O-N 3.09Å; V1580-E1584 HydrophobicContact CG1-CG 4.34Å; V1580-E1584 WeakPolarHBondContact O-CG 3.39Å; V1580-E1584 PolarHBondContact O-N 2.83Å
1581E79.4Confident81.4Confident108 Ų10852.4 Ų52.451%0.50528%0.284SS..Hα-helixtrans-59.7-41.7179.1-171.9-175.5169.600112.4A1577 N1578 M1583 E1584 T1585A1577-E1581 PolarHBondContact O-N 3.22Å; N1578-E1581 PolarHBondContact O-N 2.97Å; E1581-M1583 VanDerWaalsContact C-N 3.32Å; E1581-M1583 PolarHBondContact O-N 2.7Å; E1581-E1584 PolarHBondContact O-N 2.77Å; E1581-T1585 WeakPolarHBondContact O-CG2 3.44Å; E1581-T1585 PolarHBondContact O-N 3.24Å; E1581-T1585 PolarHBondContact O-OG1 2.93Å
1582K85.6Confident81.5Confident147 Ų14757.2 Ų57.264%0.63931%0.306SS*.Hα-helixtrans-62.4-36.3175.5-176.5179176.4-177.10112.8N1578 V1580 T1585 A1586N1578-K1582 WeakPolarHBondContact O-CB 3.28Å; N1578-K1582 PolarHBondContact O-N 2.9Å; V1580-K1582 VanDerWaalsContact C-N 3.34Å; V1580-K1582 PolarHBondContact O-N 3.39Å; K1582-T1585 WeakPolarHBondContact CA-OG1 3.36Å; K1582-T1585 PolarHBondContact O-OG1 3.3Å; K1582-A1586 PolarHBondContact O-N 3.48Å
1583M86.3Confident81.6Confident22 Ų2261.2 Ų61.211%0.10833%0.325CS..Hα-helixtrans-81.5-32.2176.7-70.4-62.4-7200112Y1532 F1535 V1536 L1573 V1574 D1579 V1580 E1581 A1586 V1587Y1532-M1583 HydrophobicContact CD2-CB 4.47Å; Y1532-M1583 HydrophobicContact CE2-CB 3.66Å; F1535-M1583 HydrophobicContact CD1-CE 4.01Å; F1535-M1583 HydrophobicContact CE1-CE 3.97Å; V1536-M1583 HydrophobicContact CB-CE 4.42Å; V1536-M1583 HydrophobicContact CG2-CB 4.3Å; V1536-M1583 HydrophobicContact CG2-CE 3.78Å; L1573-M1583 HydrophobicContact CB-CE 4.24Å; L1573-M1583 HydrophobicContact CD1-CE 3.87Å; V1574-M1583 HydrophobicContact CG2-CB 4.47Å; V1574-M1583 HydrophobicContact CG2-CG 3.93Å; D1579-M1583 WeakPolarHBondContact O-CB 3.3Å; D1579-M1583 VanDerWaalsContact O-CG 3.28Å; D1579-M1583 WeakPolarHBondContact O-CG 3.42Å; D1579-M1583 PolarHBondContact O-N 3.47Å; V1580-M1583 CarbonylContact O-C 3.57Å; V1580-M1583 PolarHBondContact O-N 2.92Å; V1580-M1583 VanDerWaalsContact O-N 3.09Å; E1581-M1583 VanDerWaalsContact C-N 3.32Å; E1581-M1583 PolarHBondContact O-N 2.7Å; M1583-A1586 PolarHBondContact O-N 2.87Å; M1583-V1587 WeakPolarHBondContact O-CB 3.25Å; M1583-V1587 WeakPolarHBondContact O-CG2 3.25Å; M1583-V1587 PolarHBondContact O-N 3.4Å
1584E81.2Confident81.4Confident8 Ų861.3 Ų61.34%0.03732%0.323CS..Hα-helixtrans-62.5-42.5171.6-74.4-175.5112.300111.8K1347 R1528 Y1532 V1580 E1581 V1587 S1588K1347-E1584 IonicContact NZ-OE2 3.06Å; R1528-E1584 IonicContact CZ-OE1 3.15Å; R1528-E1584 IonicContact NE-OE1 2.79Å; R1528-E1584 IonicContact NH1-OE1 3.67Å; R1528-E1584 PolarHBondContact NH1-OE1 3.37Å; Y1532-E1584 HydrophobicContact CD2-CG 3.53Å; Y1532-E1584 HydrophobicContact CE2-CG 3.82Å; Y1532-E1584 HydrophobicContact CG-CG 4.43Å; V1580-E1584 HydrophobicContact CG1-CG 4.34Å; V1580-E1584 WeakPolarHBondContact O-CG 3.39Å; V1580-E1584 PolarHBondContact O-N 2.83Å; E1581-E1584 PolarHBondContact O-N 2.77Å; E1584-V1587 WeakPolarHBondContact O-CB 3.38Å; E1584-V1587 PolarHBondContact O-N 3.34Å; E1584-S1588 PolarHBondContact O-N 3.02Å
1585T82.1Confident81.4Confident74 Ų7464.1 Ų64.145%0.45434%0.342SS..Hα-helixtrans-68.4-37.4174.647.90000112.9E1581 K1582 V1587 S1588 V1589E1581-T1585 WeakPolarHBondContact O-CG2 3.44Å; E1581-T1585 PolarHBondContact O-N 3.24Å; E1581-T1585 PolarHBondContact O-OG1 2.93Å; K1582-T1585 WeakPolarHBondContact CA-OG1 3.36Å; K1582-T1585 PolarHBondContact O-OG1 3.3Å; T1585-V1587 VanDerWaalsContact C-N 3.3Å; T1585-V1587 PolarHBondContact O-N 2.77Å; T1585-S1588 PolarHBondContact O-N 3.32Å; T1585-S1588 PolarHBondContact O-OG 3.02Å; T1585-V1589 WeakPolarHBondContact O-CG2 3.25Å; T1585-V1589 PolarHBondContact O-N 2.73Å
1586A85.7Confident81.2Confident39 Ų3960.2 Ų60.232%0.32233%0.328SS..Hα-helixtrans-62.5-37.5171.800000112.5F1535 K1582 M1583 D1590F1535-A1586 HydrophobicContact CE1-CB 4.23Å; K1582-A1586 PolarHBondContact O-N 3.48Å; M1583-A1586 PolarHBondContact O-N 2.87Å; A1586-D1590 PolarHBondContact O-N 3.27Å; A1586-D1590 VanDerWaalsContact O-N 3.14Å
1587V84.2Confident81.1Confident4 Ų460.8 Ų60.82%0.02434%0.336CS..Hα-helixtrans-66.9-41.2176.4168.30000112.2R1531 F1535 M1583 E1584 T1585 W1591R1531-V1587 HydrophobicContact CG-CG1 3.67Å; F1535-V1587 HydrophobicContact CB-CG2 3.51Å; F1535-V1587 HydrophobicContact CD1-CG2 3.35Å; F1535-V1587 HydrophobicContact CD2-CG2 4.2Å; F1535-V1587 HydrophobicContact CE1-CG2 4.03Å; F1535-V1587 HydrophobicContact CG-CG2 3.44Å; F1535-V1587 VanDerWaalsContact CG-CG2 3.44Å; M1583-V1587 WeakPolarHBondContact O-CB 3.25Å; M1583-V1587 WeakPolarHBondContact O-CG2 3.25Å; M1583-V1587 PolarHBondContact O-N 3.4Å; E1584-V1587 WeakPolarHBondContact O-CB 3.38Å; E1584-V1587 PolarHBondContact O-N 3.34Å; T1585-V1587 VanDerWaalsContact C-N 3.3Å; T1585-V1587 PolarHBondContact O-N 2.77Å; V1587-W1591 PolarHBondContact O-N 3.03Å; V1587-W1591 VanDerWaalsContact O-N 3.15Å
1588S77.1Confident81.2Confident22 Ų2260.4 Ų60.415%0.15433%0.329CS..Hα-helixtrans-66.2-38.7178.667.20000111.7E1584 T1585 W1591 Q1592E1584-S1588 PolarHBondContact O-N 3.02Å; T1585-S1588 PolarHBondContact O-N 3.32Å; T1585-S1588 PolarHBondContact O-OG 3.02Å; S1588-W1591 PolarHBondContact O-N 2.9Å; S1588-Q1592 WeakPolarHBondContact O-CB 3.13Å; S1588-Q1592 VanDerWaalsContact O-CG 3.31Å; S1588-Q1592 WeakPolarHBondContact O-CG 3.3Å; S1588-Q1592 PolarHBondContact O-N 2.86Å
1589V83.5Confident81.2Confident71 Ų7156.6 Ų56.643%0.4331%0.305SS..Hα-helixtrans-65-46.7175.7174.10000112.3T1585 W1591 Q1592 Q1593T1585-V1589 WeakPolarHBondContact O-CG2 3.25Å; T1585-V1589 PolarHBondContact O-N 2.73Å; V1589-W1591 VanDerWaalsContact C-N 3.27Å; V1589-W1591 PolarHBondContact O-N 2.98Å; V1589-Q1592 PolarHBondContact O-N 3.42Å; V1589-Q1593 WeakPolarHBondContact O-CG 3.33Å; V1589-Q1593 PolarHBondContact O-N 3.23Å; V1589-Q1593 VanDerWaalsContact O-N 3.13Å
1590D81.5Confident81.3Confident58 Ų5856.2 Ų56.231%0.3130%0.303SS..Hα-helixtrans-60.3-35.5176.4171.583000112.6F1535 A1586 K1594F1535-D1590 HydrophobicContact CE2-CB 3.95Å; A1586-D1590 PolarHBondContact O-N 3.27Å; A1586-D1590 VanDerWaalsContact O-N 3.14Å; D1590-K1594 VanDerWaalsContact O-CE 3.27Å; D1590-K1594 WeakPolarHBondContact O-CE 3.1Å; D1590-K1594 IonicContact OD1-NZ 2.68Å; D1590-K1594 IonicContact OD2-NZ 2.68Å; D1590-K1594 PolarHBondContact OD2-NZ 2.78Å
1591W82.6Confident81.5Confident21 Ų2161.4 Ų61.48%0.0833%0.33CS..Hα-helixtrans-72.9-41.9175.4-176.882.8000112.4S1520 V1521 N1524 V1587 S1588 V1589 Q1593 K1594 R1599S1520-W1591 WeakPolarHBondContact OG-CH2 3.5Å; V1521-W1591 HydrophobicContact CG2-CH2 3.93Å; V1521-W1591 HydrophobicContact CG2-CZ3 4.38Å; N1524-W1591 HydrophobicContact CB-CH2 4.23Å; N1524-W1591 HydrophobicContact CB-CZ2 3.82Å; N1524-W1591 VanDerWaalsContact ND2-CE2 3.29Å; N1524-W1591 VanDerWaalsContact ND2-CE3 3.29Å; N1524-W1591 WeakPolarHBondContact ND2-CH2 3.41Å; N1524-W1591 WeakPolarHBondContact ND2-CZ2 3.29Å; N1524-W1591 WeakPolarHBondContact ND2-CZ3 3.49Å; V1587-W1591 PolarHBondContact O-N 3.03Å; V1587-W1591 VanDerWaalsContact O-N 3.15Å; S1588-W1591 PolarHBondContact O-N 2.9Å; V1589-W1591 VanDerWaalsContact C-N 3.27Å; V1589-W1591 PolarHBondContact O-N 2.98Å; W1591-Q1593 VanDerWaalsContact C-N 3.29Å; W1591-Q1593 PolarHBondContact O-N 3.34Å; W1591-K1594 PolarHBondContact O-N 2.95Å; W1591-R1599 HydrophobicContact CD2-CG 4.23Å; W1591-R1599 HydrophobicContact CZ2-CB 3.75Å; W1591-R1599 HydrophobicContact CZ2-CG 4.18Å; W1591-R1599 PolarHBondContact NE1-O 3.47Å; W1591-R1599 WeakPolarHBondContact O-CG 3.17Å
1592Q78.1Confident81.7Confident108 Ų10858.5 Ų58.551%0.50532%0.318SS..Hα-helixtrans-63.3-30.8178.6-77.8179-3.900113.3S1588 V1589 K1594 R1599S1588-Q1592 WeakPolarHBondContact O-CB 3.13Å; S1588-Q1592 VanDerWaalsContact O-CG 3.31Å; S1588-Q1592 WeakPolarHBondContact O-CG 3.3Å; S1588-Q1592 PolarHBondContact O-N 2.86Å; V1589-Q1592 PolarHBondContact O-N 3.42Å; Q1592-K1594 PolarHBondContact O-N 3.49Å; Q1592-R1599 PolarHBondContact O-NE 3.32Å; Q1592-R1599 PolarHBondContact O-NH2 3.3Å
1593Q81.4Confident81.7Confident156 Ų15651.5 Ų51.573%0.72929%0.287SS*.THydrogen-bonded Turntrans-68.1-14.4178.3-72.1177.7900114.4V1589 W1591V1589-Q1593 WeakPolarHBondContact O-CG 3.33Å; V1589-Q1593 PolarHBondContact O-N 3.23Å; V1589-Q1593 VanDerWaalsContact O-N 3.13Å; W1591-Q1593 VanDerWaalsContact C-N 3.29Å; W1591-Q1593 PolarHBondContact O-N 3.34Å
1594K78.2Confident81.7Confident64 Ų6453.1 Ų53.128%0.27830%0.298SS..SBendtrans-85.3157.5-178.7-66.9162.4-170.8164.70111.5D1590 W1591 Q1592 R1599D1590-K1594 VanDerWaalsContact O-CE 3.27Å; D1590-K1594 WeakPolarHBondContact O-CE 3.1Å; D1590-K1594 IonicContact OD1-NZ 2.68Å; D1590-K1594 IonicContact OD2-NZ 2.68Å; D1590-K1594 PolarHBondContact OD2-NZ 2.78Å; W1591-K1594 PolarHBondContact O-N 2.95Å; Q1592-K1594 PolarHBondContact O-N 3.49Å; K1594-R1599 HydrophobicContact CB-CG 4.11Å; K1594-R1599 PolarHBondContact O-NE 3.03Å; K1594-R1599 PolarHBondContact O-NH2 2.94Å
1595S80.8Confident81.9Confident59 Ų5956.8 Ų56.841%0.41332%0.321SS..  trans-69.2152.4177.967.50000111.6A1597 T1598 R1599S1595-A1597 VanDerWaalsContact C-N 3.3Å; S1595-A1597 PolarHBondContact O-N 3.09Å; S1595-T1598 PolarHBondContact N-OG1 2.93Å; S1595-T1598 CarbonylContact O-C 3.49Å; S1595-T1598 PolarHBondContact O-N 2.92Å; S1595-T1598 PolarHBondContact O-OG1 3.25Å; S1595-T1598 WeakPolarHBondContact OG-CG2 3.32Å; S1595-T1598 PolarHBondContact OG-OG1 3.4Å; S1595-R1599 WeakPolarHBondContact O-CG 3.32Å; S1595-R1599 PolarHBondContact O-N 2.95Å
1596S74.4Confident82.1Confident36 Ų3655 Ų5525%0.25231%0.309SS..Hα-helixtrans-52.6-42.5-176.253.70000113.9D1517 R1599 L1600D1517-S1596 VanDerWaalsContact OD1-CB 3.23Å; D1517-S1596 WeakPolarHBondContact OD1-CB 3.33Å; S1596-R1599 WeakPolarHBondContact O-CB 3.38Å; S1596-R1599 PolarHBondContact O-N 2.97Å; S1596-L1600 PolarHBondContact O-N 3.42Å
1597A76.5Confident82.2Confident61 Ų6154.6 Ų54.650%0.50430%0.303SS..Hα-helixtrans-65.2-38.3175.200000113.3S1595 L1601S1595-A1597 VanDerWaalsContact C-N 3.3Å; S1595-A1597 PolarHBondContact O-N 3.09Å; A1597-L1601 PolarHBondContact O-N 3.27Å
1598T79.7Confident82.3Confident38 Ų3858.3 Ų58.323%0.23332%0.322CS..Hα-helixtrans-77.8-28.1176.956.70000112.5S1595 N1602S1595-T1598 PolarHBondContact N-OG1 2.93Å; S1595-T1598 CarbonylContact O-C 3.49Å; S1595-T1598 PolarHBondContact O-N 2.92Å; S1595-T1598 PolarHBondContact O-OG1 3.25Å; S1595-T1598 WeakPolarHBondContact OG-CG2 3.32Å; S1595-T1598 PolarHBondContact OG-OG1 3.4Å; T1598-N1602 WeakPolarHBondContact O-CB 3.4Å; T1598-N1602 VanDerWaalsContact O-CG 3.27Å; T1598-N1602 PolarHBondContact O-N 2.86Å; T1598-N1602 PolarHBondContact O-ND2 3.41Å
1599R83.3Confident82.6Confident44 Ų4457.5 Ų57.517%0.16632%0.317CS..Hα-helixtrans-60.6-47.7167.7-72-175.4-156.3148.8-4.4111.2D1517 W1591 Q1592 K1594 S1595 S1596 N1602 A1603D1517-R1599 IonicContact OD1-NH1 3.21Å; D1517-R1599 PolarHBondContact OD1-NH1 3.44Å; D1517-R1599 IonicContact OD2-NH1 2.65Å; W1591-R1599 HydrophobicContact CD2-CG 4.23Å; W1591-R1599 HydrophobicContact CZ2-CB 3.75Å; W1591-R1599 HydrophobicContact CZ2-CG 4.18Å; W1591-R1599 PolarHBondContact NE1-O 3.47Å; W1591-R1599 WeakPolarHBondContact O-CG 3.17Å; Q1592-R1599 PolarHBondContact O-NE 3.32Å; Q1592-R1599 PolarHBondContact O-NH2 3.3Å; K1594-R1599 HydrophobicContact CB-CG 4.11Å; K1594-R1599 PolarHBondContact O-NE 3.03Å; K1594-R1599 PolarHBondContact O-NH2 2.94Å; S1595-R1599 WeakPolarHBondContact O-CG 3.32Å; S1595-R1599 PolarHBondContact O-N 2.95Å; S1596-R1599 WeakPolarHBondContact O-CB 3.38Å; S1596-R1599 PolarHBondContact O-N 2.97Å; R1599-N1602 PolarHBondContact O-N 3.36Å; R1599-A1603 WeakPolarHBondContact O-CB 3.2Å; R1599-A1603 PolarHBondContact O-N 3.02Å
1600L86.4Confident82.6Confident37 Ų3755.5 Ų55.519%0.19431%0.308CS..Hα-helixtrans-62-49.6177.3-177.465.9000111.6L1516 C1519 L1523 S1596 N1602 A1603 V1604L1516-L1600 HydrophobicContact CD2-CD2 3.82Å; C1519-L1600 HydrophobicContact CB-CD1 4.34Å; L1523-L1600 HydrophobicContact CD1-CD1 3.84Å; S1596-L1600 PolarHBondContact O-N 3.42Å; L1600-N1602 VanDerWaalsContact C-N 3.34Å; L1600-N1602 PolarHBondContact O-N 2.92Å; L1600-A1603 WeakPolarHBondContact O-CB 3.31Å; L1600-A1603 PolarHBondContact O-N 3.03Å; L1600-A1603 VanDerWaalsContact O-N 3.11Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.34Å; L1600-V1604 PolarHBondContact O-N 3.44Å
1601L84.3Confident82.8Confident112 Ų11256.3 Ų56.359%0.58631%0.31SS*.Hα-helixtrans-59.6-43.3179-176.264.3000112A1597 V1604 V1605A1597-L1601 PolarHBondContact O-N 3.27Å; L1601-V1604 PolarHBondContact O-N 3.14Å; L1601-V1605 WeakPolarHBondContact O-CG2 3.07Å; L1601-V1605 PolarHBondContact O-N 2.89Å
1602N83.4Confident83.1Confident48 Ų4855.7 Ų55.726%0.25731%0.309SS..Hα-helixtrans-65.5-37175.3-74.8-47.2000112.3T1598 R1599 L1600 N1606T1598-N1602 WeakPolarHBondContact O-CB 3.4Å; T1598-N1602 VanDerWaalsContact O-CG 3.27Å; T1598-N1602 PolarHBondContact O-N 2.86Å; T1598-N1602 PolarHBondContact O-ND2 3.41Å; R1599-N1602 PolarHBondContact O-N 3.36Å; L1600-N1602 VanDerWaalsContact C-N 3.34Å; L1600-N1602 PolarHBondContact O-N 2.92Å; N1602-N1606 VanDerWaalsContact O-CB 3.28Å; N1602-N1606 WeakPolarHBondContact O-CB 3.46Å; N1602-N1606 PolarHBondContact O-N 3.19Å; N1602-N1606 PolarHBondContact O-ND2 3.3Å
1603A85.4Confident83.6Confident0 Ų053 Ų530%030%0.297CS..Hα-helixtrans-64.9-42.5175.500000111.7L1523 N1524 R1599 L1600 N1606 C1607L1523-A1603 HydrophobicContact CB-CB 3.85Å; N1524-A1603 HydrophobicContact CB-CB 4.41Å; R1599-A1603 WeakPolarHBondContact O-CB 3.2Å; R1599-A1603 PolarHBondContact O-N 3.02Å; L1600-A1603 WeakPolarHBondContact O-CB 3.31Å; L1600-A1603 PolarHBondContact O-N 3.03Å; L1600-A1603 VanDerWaalsContact O-N 3.11Å; A1603-N1606 PolarHBondContact O-N 3.41Å; A1603-C1607 WeakPolarHBondContact O-CB 3.25Å; A1603-C1607 PolarHBondContact O-N 2.92Å
1604V86.5Confident83.8Confident56 Ų5650 Ų5034%0.33929%0.286SS..Hα-helixtrans-63.2-47.4175.4173.20000111.7L1523 L1600 L1601 N1606 C1607 I1608L1523-V1604 HydrophobicContact CD1-CG2 3.72Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.34Å; L1600-V1604 PolarHBondContact O-N 3.44Å; L1601-V1604 PolarHBondContact O-N 3.14Å; V1604-N1606 VanDerWaalsContact C-N 3.33Å; V1604-N1606 PolarHBondContact O-N 3.45Å; V1604-C1607 WeakPolarHBondContact O-CB 3.35Å; V1604-C1607 PolarHBondContact O-N 3.27Å; V1604-C1607 VanDerWaalsContact O-N 3.15Å; V1604-I1608 HydrophobicContact CG1-CD1 4.03Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.28Å; V1604-I1608 PolarHBondContact O-N 3.04Å
1605V85.2Confident84.2Confident85 Ų8549.6 Ų49.652%0.51529%0.286SS..Hα-helixtrans-63.1-39.7178.2172.20000111.4L1601 C1607 G1609L1601-V1605 WeakPolarHBondContact O-CG2 3.07Å; L1601-V1605 PolarHBondContact O-N 2.89Å; V1605-C1607 VanDerWaalsContact C-N 3.34Å; V1605-G1609 PolarHBondContact O-N 3.4Å
1606N85.6Confident84.7Confident37 Ų3746.8 Ų46.820%0.19827%0.267CS..Hα-helixtrans-67.6-32.4174.5-73.7-26.9000112.6C1527 H1530 N1602 A1603 V1604 G1609 A1610C1527-N1606 HydrophobicContact CB-CB 4.05Å; H1530-N1606 PolarHBondContact ND1-O 3.08Å; N1602-N1606 VanDerWaalsContact O-CB 3.28Å; N1602-N1606 WeakPolarHBondContact O-CB 3.46Å; N1602-N1606 PolarHBondContact O-N 3.19Å; N1602-N1606 PolarHBondContact O-ND2 3.3Å; A1603-N1606 PolarHBondContact O-N 3.41Å; V1604-N1606 VanDerWaalsContact C-N 3.33Å; V1604-N1606 PolarHBondContact O-N 3.45Å; N1606-G1609 PolarHBondContact O-N 2.98Å; N1606-A1610 VanDerWaalsContact O-CB 3.31Å; N1606-A1610 WeakPolarHBondContact O-CB 3.23Å; N1606-A1610 PolarHBondContact O-N 3.31Å
1607C87.6Confident85.5Confident29 Ų2945.4 Ų45.420%0.19626%0.256CS..Hα-helixtrans-66.7-48.7176.5-168.90000111.7C1527 A1603 V1604 V1605 G1609 A1610 H1611C1527-C1607 WeakPolarHBondContact SG-CA 3.47Å; C1527-C1607 WeakPolarHBondContact SG-CB 3.4Å; C1527-C1607 PolarHBondContact SG-N 3.45Å; A1603-C1607 WeakPolarHBondContact O-CB 3.25Å; A1603-C1607 PolarHBondContact O-N 2.92Å; V1604-C1607 WeakPolarHBondContact O-CB 3.35Å; V1604-C1607 PolarHBondContact O-N 3.27Å; V1604-C1607 VanDerWaalsContact O-N 3.15Å; V1605-C1607 VanDerWaalsContact C-N 3.34Å; C1607-G1609 VanDerWaalsContact C-N 3.27Å; C1607-G1609 PolarHBondContact O-N 2.89Å; C1607-A1610 PolarHBondContact O-N 3.03Å; C1607-A1610 VanDerWaalsContact O-N 3.16Å; C1607-H1611 PolarHBondContact O-N 3.14Å; C1607-H1611 VanDerWaalsContact O-N 3.07Å
1608I87Confident86Confident82 Ų8246.8 Ų46.842%0.42125%0.251SS..Hα-helixtrans-61.7-39175.5-65.3168.8000110.4V1604 T1612 L1615 F1720V1604-I1608 HydrophobicContact CG1-CD1 4.03Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.28Å; V1604-I1608 PolarHBondContact O-N 3.04Å; I1608-T1612 WeakPolarHBondContact O-CG2 3.44Å; I1608-L1615 HydrophobicContact CG2-CD1 4.03Å; I1608-F1720 HydrophobicContact CG2-CE1 4.27Å
1609G84.2Confident86.6Confident6 Ų647.2 Ų47.26%0.06225%0.249CC..Hα-helixtrans-66.7-34.6174.700000114.2V1605 N1606 C1607V1605-G1609 PolarHBondContact O-N 3.4Å; N1606-G1609 PolarHBondContact O-N 2.98Å; C1607-G1609 VanDerWaalsContact C-N 3.27Å; C1607-G1609 PolarHBondContact O-N 2.89Å
1610A83.3Confident87Confident29 Ų2945.1 Ų45.124%0.2424%0.242CC..Hα-helixtrans-71.8-44.4179.300000113H1530 N1606 C1607H1530-A1610 HydrophobicContact CB-CB 3.66Å; N1606-A1610 VanDerWaalsContact O-CB 3.31Å; N1606-A1610 WeakPolarHBondContact O-CB 3.23Å; N1606-A1610 PolarHBondContact O-N 3.31Å; C1607-A1610 PolarHBondContact O-N 3.03Å; C1607-A1610 VanDerWaalsContact O-N 3.16Å
1611H85.7Confident87.2Confident74 Ų7443.6 Ų43.634%0.34323%0.234SC..THydrogen-bonded Turntrans-10840.1-170.1-64-62.9000113.7C1607 D1613 I1614 L1615C1607-H1611 PolarHBondContact O-N 3.14Å; C1607-H1611 VanDerWaalsContact O-N 3.07Å; H1611-D1613 VanDerWaalsContact C-N 3.27Å; H1611-D1613 PolarHBondContact O-N 3.27Å; H1611-I1614 HydrophobicContact CB-CD1 4.34Å; H1611-I1614 PolarHBondContact O-N 3.44Å; H1611-L1615 WeakPolarHBondContact O-CG 3.44Å; H1611-L1615 PolarHBondContact O-N 3.05Å
1612T89.3Confident87.4Confident9 Ų939.1 Ų39.16%0.05521%0.21CC..Hα-helixtrans-66.3-25.3-179.646.90000114.1I1608 C1616 F1720 H1721 M1724I1608-T1612 WeakPolarHBondContact O-CG2 3.44Å; T1612-C1616 PolarHBondContact O-N 2.94Å; T1612-C1616 PolarHBondContact O-SG 3.34Å; T1612-F1720 HydrophobicContact CG2-CD1 3.75Å; T1612-F1720 HydrophobicContact CG2-CE1 3.49Å; T1612-F1720 VanDerWaalsContact CG2-CE1 3.49Å; T1612-H1721 WeakPolarHBondContact CB-ND1 3.35Å; T1612-H1721 PolarHBondContact OG1-ND1 2.88Å; T1612-M1724 HydrophobicContact CG2-CG 4.2Å
1613D87.1Confident87.7Confident50 Ų5036.9 Ų36.927%0.26720%0.198SC..Hα-helixtrans-69.8-48.1175.958.3-23000112.2H1611 L1615 C1616 Y1617 W1655H1611-D1613 VanDerWaalsContact C-N 3.27Å; H1611-D1613 PolarHBondContact O-N 3.27Å; D1613-L1615 VanDerWaalsContact C-N 3.27Å; D1613-L1615 PolarHBondContact O-N 2.96Å; D1613-C1616 WeakPolarHBondContact O-CB 3.31Å; D1613-C1616 PolarHBondContact O-N 3.07Å; D1613-C1616 VanDerWaalsContact O-N 3.11Å; D1613-Y1617 PolarHBondContact O-N 2.75Å; D1613-W1655 HydrophobicContact CB-CH2 4.19Å; D1613-W1655 HydrophobicContact CB-CZ2 4.09Å
1614I85.4Confident87.9Confident94 Ų9436.9 Ų36.948%0.48220%0.198SC..Hα-helixtrans-60.8-38.5175.6-62.2172.2000110.4H1611 Y1617 F1618H1611-I1614 HydrophobicContact CB-CD1 4.34Å; H1611-I1614 PolarHBondContact O-N 3.44Å; I1614-Y1617 PolarHBondContact O-N 3.47Å; I1614-F1618 WeakPolarHBondContact O-CB 3.46Å; I1614-F1618 PolarHBondContact O-N 3.17Å
1615L86.7Confident87.9Confident56 Ų5634.6 Ų34.629%0.29318%0.184SC..Hα-helixtrans-61.8-43173.9-70.5173.2000112.1I1608 H1611 D1613 Y1617 F1618 F1619I1608-L1615 HydrophobicContact CG2-CD1 4.03Å; H1611-L1615 WeakPolarHBondContact O-CG 3.44Å; H1611-L1615 PolarHBondContact O-N 3.05Å; D1613-L1615 VanDerWaalsContact C-N 3.27Å; D1613-L1615 PolarHBondContact O-N 2.96Å; L1615-Y1617 PolarHBondContact O-N 2.96Å; L1615-F1618 PolarHBondContact O-N 3.35Å; L1615-F1619 HydrophobicContact CB-CE2 4.42Å; L1615-F1619 WeakPolarHBondContact O-CD2 3.21Å; L1615-F1619 PolarHBondContact O-N 2.97Å
1616C91.7Very high87.8Confident0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-62.8-41.9175.2-660000112T1612 D1613 F1619 A1620 W1655 S1717 L1718T1612-C1616 PolarHBondContact O-N 2.94Å; T1612-C1616 PolarHBondContact O-SG 3.34Å; D1613-C1616 WeakPolarHBondContact O-CB 3.31Å; D1613-C1616 PolarHBondContact O-N 3.07Å; D1613-C1616 VanDerWaalsContact O-N 3.11Å; C1616-F1619 PolarHBondContact O-N 3.31Å; C1616-A1620 WeakPolarHBondContact O-CB 3.33Å; C1616-A1620 PolarHBondContact O-N 3.47Å; C1616-W1655 HydrophobicContact CB-CH2 3.98Å; C1616-W1655 HydrophobicContact CB-CZ3 3.7Å; C1616-S1717 PolarHBondContact SG-OG 2.95Å; C1616-S1717 VanDerWaalsContact SG-OG 3.41Å; C1616-L1718 HydrophobicContact CB-CD2 4.21Å
1617Y90.5Very high87.6Confident6 Ų632.8 Ų32.82%0.02417%0.171CC..Hα-helixtrans-65.4-40.8176.4-60.1-25000112.4D1613 I1614 L1615 A1620 I1621 S1639 G1643 N1644 P1650 F1654 W1655D1613-Y1617 PolarHBondContact O-N 2.75Å; I1614-Y1617 PolarHBondContact O-N 3.47Å; L1615-Y1617 PolarHBondContact O-N 2.96Å; Y1617-A1620 PolarHBondContact O-N 3.18Å; Y1617-I1621 WeakPolarHBondContact O-CG1 3.35Å; Y1617-I1621 PolarHBondContact O-N 3.38Å; Y1617-S1639 VanDerWaalsContact CD1-CB 3.5Å; Y1617-G1643 VanDerWaalsContact OH-C 3.23Å; Y1617-G1643 VanDerWaalsContact OH-CA 3.28Å; Y1617-G1643 WeakPolarHBondContact OH-CA 3.49Å; Y1617-G1643 PolarHBondContact OH-O 3.24Å; Y1617-N1644 HydrophobicContact CE2-CB 4.47Å; Y1617-P1650 WeakPolarHBondContact OH-CG 3.38Å; Y1617-F1654 AromaticContact CE1-CE1 3.91Å; Y1617-F1654 HydrophobicContact CE1-CE1 3.91Å; Y1617-F1654 AromaticContact CE1-CZ 3.79Å; Y1617-F1654 HydrophobicContact CE1-CZ 3.79Å; Y1617-W1655 HydrophobicContact CD1-CH2 4.48Å; Y1617-W1655 AromaticContact CE1-CH2 3.84Å; Y1617-W1655 HydrophobicContact CE1-CH2 3.84Å; Y1617-W1655 HydrophobicContact CE1-CZ2 4.4Å
1618F88.5Confident87Confident90 Ų9032.3 Ų32.340%0.39517%0.17SC..Hα-helixtrans-60.9-48.6174.8177.4-99.8000111.2I1614 L1615 A1620 I1621 M1622I1614-F1618 WeakPolarHBondContact O-CB 3.46Å; I1614-F1618 PolarHBondContact O-N 3.17Å; L1615-F1618 PolarHBondContact O-N 3.35Å; F1618-A1620 VanDerWaalsContact C-N 3.33Å; F1618-A1620 PolarHBondContact O-N 3.48Å; F1618-I1621 PolarHBondContact O-N 2.99Å; F1618-M1622 HydrophobicContact CD1-CG 4.02Å; F1618-M1622 HydrophobicContact CD2-CE 4.27Å; F1618-M1622 HydrophobicContact CE1-CG 3.58Å; F1618-M1622 HydrophobicContact CE1-SD 4.19Å; F1618-M1622 HydrophobicContact CE2-CE 3.66Å; F1618-M1622 HydrophobicContact CE2-CG 4.2Å; F1618-M1622 HydrophobicContact CE2-SD 4.11Å; F1618-M1622 HydrophobicContact CG-CG 4.49Å; F1618-M1622 HydrophobicContact CZ-CE 3.89Å; F1618-M1622 HydrophobicContact CZ-CG 3.68Å; F1618-M1622 HydrophobicContact CZ-SD 3.68Å; F1618-M1622 WeakPolarHBondContact O-CG 3.49Å; F1618-M1622 PolarHBondContact O-N 3.3Å
1619F91.5Very high86.7Confident47 Ų4728.5 Ų28.521%0.20615%0.151CC..Hα-helixtrans-66.5-31177.6-68.7-53.2000113.2L1615 C1616 M1622 T1623 W1710 V1713 L1714 S1717L1615-F1619 HydrophobicContact CB-CE2 4.42Å; L1615-F1619 WeakPolarHBondContact O-CD2 3.21Å; L1615-F1619 PolarHBondContact O-N 2.97Å; C1616-F1619 PolarHBondContact O-N 3.31Å; F1619-M1622 PolarHBondContact O-N 2.87Å; F1619-T1623 WeakPolarHBondContact O-CB 3.34Å; F1619-T1623 PolarHBondContact O-N 3.21Å; F1619-T1623 PolarHBondContact O-OG1 2.92Å; F1619-W1710 HydrophobicContact CD1-CZ3 4.48Å; F1619-V1713 HydrophobicContact CD1-CG1 3.83Å; F1619-V1713 HydrophobicContact CD2-CG1 4.42Å; F1619-V1713 HydrophobicContact CE1-CG1 3.74Å; F1619-V1713 HydrophobicContact CE2-CG1 4.33Å; F1619-V1713 HydrophobicContact CG-CG1 4.2Å; F1619-V1713 HydrophobicContact CZ-CG1 4Å; F1619-L1714 HydrophobicContact CB-CB 4.36Å; F1619-L1714 HydrophobicContact CB-CD1 3.79Å; F1619-S1717 WeakPolarHBondContact CD2-OG 3.46Å
1620A91.4Very high86.7Confident0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-63.7-43.8171.200000112.1C1616 Y1617 F1618 T1623 Q1624 L1635 M1658 L1714C1616-A1620 WeakPolarHBondContact O-CB 3.33Å; C1616-A1620 PolarHBondContact O-N 3.47Å; Y1617-A1620 PolarHBondContact O-N 3.18Å; F1618-A1620 VanDerWaalsContact C-N 3.33Å; F1618-A1620 PolarHBondContact O-N 3.48Å; A1620-T1623 PolarHBondContact O-N 3.02Å; A1620-Q1624 PolarHBondContact O-N 3Å; A1620-L1635 HydrophobicContact CB-CB 4.22Å; A1620-M1658 HydrophobicContact CB-CE 3.8Å; A1620-L1714 HydrophobicContact CB-CD1 4.43Å; A1620-L1714 HydrophobicContact CB-CD2 4.49Å
1621I90.6Very high87Confident5 Ų533 Ų333%0.02617%0.169CC..Hα-helixtrans-65.5-44.9174.9-67162.3000110.7Y1617 F1618 T1623 Q1624 V1625 P1636 Y1935 L1943Y1617-I1621 WeakPolarHBondContact O-CG1 3.35Å; Y1617-I1621 PolarHBondContact O-N 3.38Å; F1618-I1621 PolarHBondContact O-N 2.99Å; I1621-T1623 VanDerWaalsContact C-N 3.32Å; I1621-T1623 PolarHBondContact O-N 3.37Å; I1621-Q1624 PolarHBondContact O-N 3.46Å; I1621-V1625 HydrophobicContact CG2-CG2 4.49Å; I1621-V1625 VanDerWaalsContact O-CG2 3.29Å; I1621-V1625 WeakPolarHBondContact O-CG2 2.83Å; I1621-V1625 PolarHBondContact O-N 3.36Å; I1621-P1636 HydrophobicContact CG1-CB 4.11Å; I1621-Y1935 HydrophobicContact CG2-CD1 4.47Å; I1621-Y1935 HydrophobicContact CG2-CE1 3.99Å; I1621-L1943 HydrophobicContact CD1-CD1 3.93Å
1622M88.3Confident87.1Confident19 Ų1929.6 Ų29.69%0.09415%0.154CC..Hα-helixtrans-59.4-40.8175.1-69.4-58.5100.400112.4F1618 F1619 Q1624 V1625 M1626 W1710 V1936F1618-M1622 HydrophobicContact CD1-CG 4.02Å; F1618-M1622 HydrophobicContact CD2-CE 4.27Å; F1618-M1622 HydrophobicContact CE1-CG 3.58Å; F1618-M1622 HydrophobicContact CE1-SD 4.19Å; F1618-M1622 HydrophobicContact CE2-CE 3.66Å; F1618-M1622 HydrophobicContact CE2-CG 4.2Å; F1618-M1622 HydrophobicContact CE2-SD 4.11Å; F1618-M1622 HydrophobicContact CG-CG 4.49Å; F1618-M1622 HydrophobicContact CZ-CE 3.89Å; F1618-M1622 HydrophobicContact CZ-CG 3.68Å; F1618-M1622 HydrophobicContact CZ-SD 3.68Å; F1618-M1622 WeakPolarHBondContact O-CG 3.49Å; F1618-M1622 PolarHBondContact O-N 3.3Å; F1619-M1622 PolarHBondContact O-N 2.87Å; M1622-Q1624 VanDerWaalsContact C-N 3.3Å; M1622-Q1624 PolarHBondContact O-N 2.99Å; M1622-V1625 PolarHBondContact O-N 2.93Å; M1622-M1626 VanDerWaalsContact O-CG 3.28Å; M1622-M1626 WeakPolarHBondContact O-CG 2.95Å; M1622-M1626 PolarHBondContact O-N 3.26Å; M1622-W1710 HydrophobicContact CB-CE3 4.29Å; M1622-W1710 HydrophobicContact CB-CZ3 4.39Å; M1622-V1936 HydrophobicContact CE-CB 4.26Å; M1622-V1936 HydrophobicContact CE-CG1 3.74Å; M1622-V1936 HydrophobicContact CE-CG2 3.44Å; M1622-V1936 VanDerWaalsContact CE-CG2 3.44Å
1623T89.5Confident87Confident0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-59.6-42.9178.1-590000110.5F1619 A1620 I1621 T1627 T1632 L1635 D1711F1619-T1623 WeakPolarHBondContact O-CB 3.34Å; F1619-T1623 PolarHBondContact O-N 3.21Å; F1619-T1623 PolarHBondContact O-OG1 2.92Å; A1620-T1623 PolarHBondContact O-N 3.02Å; I1621-T1623 VanDerWaalsContact C-N 3.32Å; I1621-T1623 PolarHBondContact O-N 3.37Å; T1623-T1627 HydrophobicContact CG2-CG2 4.49Å; T1623-T1627 WeakPolarHBondContact O-CB 3.48Å; T1623-T1627 WeakPolarHBondContact O-CG2 3.48Å; T1623-T1627 PolarHBondContact O-N 3.48Å; T1623-T1627 VanDerWaalsContact O-N 3.13Å; T1623-T1627 PolarHBondContact O-OG1 2.8Å; T1623-T1632 HydrophobicContact CG2-CG2 3.89Å; T1623-L1635 HydrophobicContact CG2-CD1 4.11Å; T1623-D1711 WeakPolarHBondContact CG2-OD1 3.4Å
1624Q89.8Confident87.2Confident1 Ų130.7 Ų30.71%0.00516%0.161CC..Hα-helixtrans-63.8-45.3173.6-176.461.116.200112.7A1620 I1621 M1622 M1626 T1627 G1628 G1629 T1632 P1636 F1914A1620-Q1624 PolarHBondContact O-N 3Å; I1621-Q1624 PolarHBondContact O-N 3.46Å; M1622-Q1624 VanDerWaalsContact C-N 3.3Å; M1622-Q1624 PolarHBondContact O-N 2.99Å; Q1624-M1626 VanDerWaalsContact C-N 3.3Å; Q1624-M1626 PolarHBondContact O-N 2.96Å; Q1624-T1627 PolarHBondContact O-N 3.36Å; Q1624-G1628 WeakPolarHBondContact O-CA 3.35Å; Q1624-G1628 PolarHBondContact O-N 3.49Å; Q1624-G1629 PolarHBondContact NE2-O 3.24Å; Q1624-G1629 PolarHBondContact OE1-O 3.39Å; Q1624-T1632 PolarHBondContact OE1-O 3.46Å; Q1624-T1632 PolarHBondContact OE1-OG1 2.91Å; Q1624-T1632 VanDerWaalsContact OE1-OG1 3.05Å; Q1624-P1636 HydrophobicContact CB-CG 3.83Å; Q1624-P1636 HydrophobicContact CG-CG 4.01Å; Q1624-F1914 HydrophobicContact CG-CE1 4.3Å; Q1624-F1914 HydrophobicContact CG-CE2 4.1Å; Q1624-F1914 HydrophobicContact CG-CZ 3.61Å
1625V87Confident87.4Confident8 Ų826.3 Ų26.35%0.04814%0.139CC..Hα-helixtrans-59.1-40.6-178.5170.70000112.2I1621 M1622 Q1932 Y1935 V1936I1621-V1625 HydrophobicContact CG2-CG2 4.49Å; I1621-V1625 VanDerWaalsContact O-CG2 3.29Å; I1621-V1625 WeakPolarHBondContact O-CG2 2.83Å; I1621-V1625 PolarHBondContact O-N 3.36Å; M1622-V1625 PolarHBondContact O-N 2.93Å; V1625-Q1932 HydrophobicContact CG1-CB 3.85Å; V1625-Q1932 HydrophobicContact CG1-CG 3.86Å; V1625-Y1935 HydrophobicContact CG2-CD1 3.45Å; V1625-Y1935 VanDerWaalsContact CG2-CD1 3.45Å; V1625-Y1935 HydrophobicContact CG2-CE1 3.78Å; V1625-V1936 HydrophobicContact CG1-CG2 4.38Å; V1625-V1936 HydrophobicContact CG2-CG2 3.66Å
1626M84.1Confident87.5Confident68 Ų6823.7 Ų23.734%0.33513%0.125SC..Hα-helixtrans-85.7-27-174.1-62.4-68.3167.500113.5M1622 Q1624 W1710M1622-M1626 VanDerWaalsContact O-CG 3.28Å; M1622-M1626 WeakPolarHBondContact O-CG 2.95Å; M1622-M1626 PolarHBondContact O-N 3.26Å; Q1624-M1626 VanDerWaalsContact C-N 3.3Å; Q1624-M1626 PolarHBondContact O-N 2.96Å; M1626-W1710 HydrophobicContact CB-CG 4.3Å; M1626-W1710 HydrophobicContact CE-CZ2 4.4Å; M1626-W1710 HydrophobicContact CG-CD2 4.31Å; M1626-W1710 HydrophobicContact CG-CG 4.32Å; M1626-W1710 HydrophobicContact CG-CZ2 4.35Å
1627T80.6Confident87.3Confident16 Ų1625.9 Ų25.910%0.09814%0.136CC..Hα-helixtrans-98.3-29.2-178.960.20000113.4T1623 Q1624 G1629 T1632 I1926T1623-T1627 HydrophobicContact CG2-CG2 4.49Å; T1623-T1627 WeakPolarHBondContact O-CB 3.48Å; T1623-T1627 WeakPolarHBondContact O-CG2 3.48Å; T1623-T1627 PolarHBondContact O-N 3.48Å; T1623-T1627 VanDerWaalsContact O-N 3.13Å; T1623-T1627 PolarHBondContact O-OG1 2.8Å; Q1624-T1627 PolarHBondContact O-N 3.36Å; T1627-G1629 PolarHBondContact O-N 3.14Å; T1627-T1632 HydrophobicContact CG2-CG2 4.44Å; T1627-T1632 WeakPolarHBondContact OG1-CB 3.26Å; T1627-T1632 WeakPolarHBondContact OG1-CG2 3.49Å; T1627-T1632 PolarHBondContact OG1-OG1 3.49Å; T1627-I1926 WeakPolarHBondContact O-CD1 3.41Å
1628G75.5Confident87.2Confident18 Ų1827.3 Ų27.319%0.18614%0.144CC..  trans63.7417700000116.4Q1624Q1624-G1628 WeakPolarHBondContact O-CA 3.35Å; Q1624-G1628 PolarHBondContact O-N 3.49Å
1629G79.7Confident87.3Confident2 Ų223 Ų232%0.02113%0.125CC..  trans-89.4161.8-168.100000115.1Q1624 T1627 I1631 T1632 L1633 L1698Q1624-G1629 PolarHBondContact NE2-O 3.24Å; Q1624-G1629 PolarHBondContact OE1-O 3.39Å; T1627-G1629 PolarHBondContact O-N 3.14Å; G1629-I1631 VanDerWaalsContact C-N 3.35Å; G1629-T1632 PolarHBondContact O-OG1 3.26Å; G1629-L1633 PolarHBondContact O-N 3.31Å; G1629-L1698 CarbonylContact C-O 3.5Å
1630L85.3Confident87.1Confident89 Ų8920.8 Ų20.847%0.46612%0.115SC..THydrogen-bonded Turntrans-71.8-27.7172.2-156.6104.3000112.4T1632 L1633 P1634 L1698 F1699L1630-T1632 VanDerWaalsContact C-N 3.33Å; L1630-L1633 WeakPolarHBondContact O-CB 3.23Å; L1630-L1633 PolarHBondContact O-N 2.78Å; L1630-P1634 WeakPolarHBondContact O-CD 3.1Å; L1630-L1698 WeakPolarHBondContact CB-O 3.48Å; L1630-L1698 PolarHBondContact N-O 2.81Å; L1630-F1699 HydrophobicContact CB-CD1 4.28Å; L1630-F1699 HydrophobicContact CD2-CD1 4.44Å; L1630-F1699 HydrophobicContact CD2-CE1 4.08Å
1631I88.1Confident86.8Confident42 Ų4224.3 Ų24.322%0.21513%0.131CC..THydrogen-bonded Turntrans-69.4-32.3177.6-64.2-178.8000111.4G1629 P1634 Y1661 V1665 F1699 V1701G1629-I1631 VanDerWaalsContact C-N 3.35Å; I1631-P1634 WeakPolarHBondContact O-CD 3.25Å; I1631-Y1661 WeakPolarHBondContact O-CE1 3.24Å; I1631-Y1661 PolarHBondContact O-OH 3.04Å; I1631-V1665 HydrophobicContact CG2-CG1 4.48Å; I1631-V1665 HydrophobicContact CG2-CG2 3.82Å; I1631-F1699 WeakPolarHBondContact CB-O 3.37Å; I1631-F1699 HydrophobicContact CD1-CB 4.08Å; I1631-F1699 HydrophobicContact CD1-CD1 4.34Å; I1631-F1699 HydrophobicContact CG1-CB 4.2Å; I1631-F1699 HydrophobicContact CG1-CD1 3.95Å; I1631-F1699 WeakPolarHBondContact CG1-O 3.38Å; I1631-F1699 PolarHBondContact N-O 2.87Å; I1631-V1701 HydrophobicContact CD1-CG2 3.51Å
1632T88.6Confident86.7Confident2 Ų228.6 Ų28.61%0.01215%0.146CC..THydrogen-bonded Turntrans-86.7-18.9178.633.70000112.8T1623 Q1624 T1627 G1629 L1630 P1634 L1635 P1636T1623-T1632 HydrophobicContact CG2-CG2 3.89Å; Q1624-T1632 PolarHBondContact OE1-O 3.46Å; Q1624-T1632 PolarHBondContact OE1-OG1 2.91Å; Q1624-T1632 VanDerWaalsContact OE1-OG1 3.05Å; T1627-T1632 HydrophobicContact CG2-CG2 4.44Å; T1627-T1632 WeakPolarHBondContact OG1-CB 3.26Å; T1627-T1632 WeakPolarHBondContact OG1-CG2 3.49Å; T1627-T1632 PolarHBondContact OG1-OG1 3.49Å; G1629-T1632 PolarHBondContact O-OG1 3.26Å; L1630-T1632 VanDerWaalsContact C-N 3.33Å; T1632-P1634 VanDerWaalsContact C-CD 3.42Å; T1632-L1635 HydrophobicContact CG2-CD1 4.32Å; T1632-L1635 VanDerWaalsContact O-CB 3.31Å; T1632-L1635 WeakPolarHBondContact O-CB 3.32Å; T1632-L1635 PolarHBondContact O-N 3.03Å; T1632-P1636 WeakPolarHBondContact O-CD 3.08Å
1633L87.7Confident86.5Confident39 Ų3927.7 Ų27.720%0.20414%0.142CC..THydrogen-bonded Turntrans-53.2-36.8-179.1-168.390.1000114.8G1629 L1630 L1635 P1636 L1637 F1914G1629-L1633 PolarHBondContact O-N 3.31Å; L1630-L1633 WeakPolarHBondContact O-CB 3.23Å; L1630-L1633 PolarHBondContact O-N 2.78Å; L1633-L1635 PolarHBondContact O-N 2.9Å; L1633-P1636 VanDerWaalsContact O-CD 3.22Å; L1633-P1636 WeakPolarHBondContact O-CD 3.49Å; L1633-P1636 WeakPolarHBondContact O-CG 3.41Å; L1633-L1637 HydrophobicContact CD2-CD1 3.89Å; L1633-L1637 HydrophobicContact CG-CD1 3.92Å; L1633-L1637 HydrophobicContact CG-CG 4.45Å; L1633-L1637 WeakPolarHBondContact O-CG 3.25Å; L1633-L1637 PolarHBondContact O-N 2.89Å; L1633-F1914 HydrophobicContact CD1-CD2 4.14Å; L1633-F1914 HydrophobicContact CD1-CE2 4.33Å
1634P90.4Very high86.2Confident42 Ų4228.7 Ų28.727%0.27315%0.148SC..Hα-helixtrans-61.2-27.3176-27.538.7000114.1L1630 I1631 T1632 L1637 M1638L1630-P1634 WeakPolarHBondContact O-CD 3.1Å; I1631-P1634 WeakPolarHBondContact O-CD 3.25Å; T1632-P1634 VanDerWaalsContact C-CD 3.42Å; P1634-L1637 PolarHBondContact O-N 2.82Å; P1634-M1638 VanDerWaalsContact O-CB 3.28Å; P1634-M1638 WeakPolarHBondContact O-CB 3.33Å; P1634-M1638 WeakPolarHBondContact O-CG 3.1Å; P1634-M1638 PolarHBondContact O-N 3.22Å
1635L90.5Very high85.9Confident3 Ų329.2 Ų29.22%0.01615%0.15CC..Hα-helixtrans-61.2-55.7-178.1-65.6170.1000113A1620 T1623 T1632 L1633 S1639 Y1661 T1662 L1714A1620-L1635 HydrophobicContact CB-CB 4.22Å; T1623-L1635 HydrophobicContact CG2-CD1 4.11Å; T1632-L1635 HydrophobicContact CG2-CD1 4.32Å; T1632-L1635 VanDerWaalsContact O-CB 3.31Å; T1632-L1635 WeakPolarHBondContact O-CB 3.32Å; T1632-L1635 PolarHBondContact O-N 3.03Å; L1633-L1635 PolarHBondContact O-N 2.9Å; L1635-S1639 PolarHBondContact O-N 2.82Å; L1635-Y1661 HydrophobicContact CD2-CD1 3.83Å; L1635-Y1661 HydrophobicContact CD2-CE1 4.4Å; L1635-Y1661 HydrophobicContact CG-CD1 4.23Å; L1635-Y1661 HydrophobicContact CG-CE1 4.29Å; L1635-T1662 HydrophobicContact CD2-CG2 4.05Å; L1635-L1714 HydrophobicContact CD1-CD2 4.01Å; L1635-L1714 HydrophobicContact CD2-CD2 4.45Å
1636P87.6Confident85.5Confident0 Ų029.3 Ų29.30%015%0.151CC..Hα-helixtrans-69.6-31.3174.528.3-37000113.2I1621 Q1624 T1632 L1633 S1639 L1640I1621-P1636 HydrophobicContact CG1-CB 4.11Å; Q1624-P1636 HydrophobicContact CB-CG 3.83Å; Q1624-P1636 HydrophobicContact CG-CG 4.01Å; T1632-P1636 WeakPolarHBondContact O-CD 3.08Å; L1633-P1636 VanDerWaalsContact O-CD 3.22Å; L1633-P1636 WeakPolarHBondContact O-CD 3.49Å; L1633-P1636 WeakPolarHBondContact O-CG 3.41Å; P1636-S1639 WeakPolarHBondContact CA-OG 3.19Å; P1636-S1639 PolarHBondContact O-N 3.42Å; P1636-S1639 PolarHBondContact O-OG 2.88Å; P1636-L1640 WeakPolarHBondContact O-CB 3.37Å; P1636-L1640 VanDerWaalsContact O-CG 3.28Å; P1636-L1640 WeakPolarHBondContact O-CG 3.5Å; P1636-L1640 PolarHBondContact O-N 2.94Å
1637L88.4Confident84.8Confident46 Ų4628.5 Ų28.524%0.24115%0.148CC..Hα-helixtrans-66.1-40.2177-66.4179.2000111.5L1633 P1634 F1641 I1906L1633-L1637 HydrophobicContact CD2-CD1 3.89Å; L1633-L1637 HydrophobicContact CG-CD1 3.92Å; L1633-L1637 HydrophobicContact CG-CG 4.45Å; L1633-L1637 WeakPolarHBondContact O-CG 3.25Å; L1633-L1637 PolarHBondContact O-N 2.89Å; P1634-L1637 PolarHBondContact O-N 2.82Å; L1637-F1641 HydrophobicContact CB-CD2 4.4Å; L1637-F1641 HydrophobicContact CD2-CD2 4.41Å; L1637-F1641 HydrophobicContact CD2-CE2 3.94Å; L1637-F1641 WeakPolarHBondContact O-CB 3.49Å; L1637-F1641 PolarHBondContact O-N 3.21Å; L1637-I1906 HydrophobicContact CD2-CG2 4.29Å
1638M89.3Confident84.1Confident36 Ų3631.7 Ų31.718%0.17717%0.17CC..Hα-helixtrans-63.6-39.8172.8-75.4176.266.200112.2P1634 W1642 G1643 F1654 T1657P1634-M1638 VanDerWaalsContact O-CB 3.28Å; P1634-M1638 WeakPolarHBondContact O-CB 3.33Å; P1634-M1638 WeakPolarHBondContact O-CG 3.1Å; P1634-M1638 PolarHBondContact O-N 3.22Å; M1638-W1642 HydrophobicContact CE-CE3 4.5Å; M1638-W1642 WeakPolarHBondContact O-CA 3.39Å; M1638-W1642 VanDerWaalsContact O-CB 3.31Å; M1638-W1642 WeakPolarHBondContact O-CB 3.37Å; M1638-W1642 PolarHBondContact O-N 3.26Å; M1638-G1643 PolarHBondContact O-N 2.91Å; M1638-F1654 HydrophobicContact CB-CE2 4.16Å; M1638-F1654 HydrophobicContact CE-CD2 4.36Å; M1638-F1654 HydrophobicContact CE-CE2 4.4Å; M1638-T1657 HydrophobicContact CE-CG2 3.96Å
1639S89.1Confident83.9Confident0 Ų034.6 Ų34.60%018%0.175CC..Iπ-helixtrans-71.1-38.9178.568.70000112.9Y1617 L1635 P1636 G1643 N1644Y1617-S1639 VanDerWaalsContact CD1-CB 3.5Å; L1635-S1639 PolarHBondContact O-N 2.82Å; P1636-S1639 WeakPolarHBondContact CA-OG 3.19Å; P1636-S1639 PolarHBondContact O-N 3.42Å; P1636-S1639 PolarHBondContact O-OG 2.88Å; S1639-G1643 PolarHBondContact O-N 3.41Å; S1639-N1644 PolarHBondContact O-N 3.42Å
1640L88.1Confident83.8Confident0 Ų035.2 Ų35.20%018%0.179CC..Iπ-helixtrans-76.6-39.7-178.8-68.5175.7000113.7P1636 I1906 F1942 L1943P1636-L1640 WeakPolarHBondContact O-CB 3.37Å; P1636-L1640 VanDerWaalsContact O-CG 3.28Å; P1636-L1640 WeakPolarHBondContact O-CG 3.5Å; P1636-L1640 PolarHBondContact O-N 2.94Å; L1640-I1906 HydrophobicContact CB-CD1 4.32Å; L1640-F1942 HydrophobicContact CD2-CB 3.92Å; L1640-L1943 HydrophobicContact CD2-CD2 3.89Å; L1640-L1943 HydrophobicContact CD2-CG 4.05Å
1641F85.7Confident83.5Confident75 Ų7533.1 Ų33.133%0.32917%0.171SC..Iπ-helixtrans-94.1-30.4-178.3-67.1-48.1000114.5L1637 V1903 I1906L1637-F1641 HydrophobicContact CB-CD2 4.4Å; L1637-F1641 HydrophobicContact CD2-CD2 4.41Å; L1637-F1641 HydrophobicContact CD2-CE2 3.94Å; L1637-F1641 WeakPolarHBondContact O-CB 3.49Å; L1637-F1641 PolarHBondContact O-N 3.21Å; F1641-V1903 HydrophobicContact CE1-CG2 4.25Å; F1641-I1906 HydrophobicContact CD1-CD1 4.41Å; F1641-I1906 HydrophobicContact CE1-CB 4.3Å; F1641-I1906 HydrophobicContact CE1-CD1 3.85Å; F1641-I1906 HydrophobicContact CE1-CG2 4.07Å; F1641-I1906 HydrophobicContact CE2-CG2 4.14Å; F1641-I1906 HydrophobicContact CZ-CB 4.1Å; F1641-I1906 HydrophobicContact CZ-CD1 4.43Å; F1641-I1906 HydrophobicContact CZ-CG2 3.54Å
1642W86.9Confident83.3Confident94 Ų9435.9 Ų35.936%0.35618%0.182SC..Iπ-helixtrans-110.7-53.8-177.2-168.12.4000112.4M1638 S1646 F1653 F1654M1638-W1642 HydrophobicContact CE-CE3 4.5Å; M1638-W1642 WeakPolarHBondContact O-CA 3.39Å; M1638-W1642 VanDerWaalsContact O-CB 3.31Å; M1638-W1642 WeakPolarHBondContact O-CB 3.37Å; M1638-W1642 PolarHBondContact O-N 3.26Å; W1642-S1646 WeakPolarHBondContact O-CB 3.37Å; W1642-S1646 PolarHBondContact O-N 2.84Å; W1642-F1653 AromaticContact CH2-CD1 3.57Å; W1642-F1653 HydrophobicContact CH2-CD1 3.57Å; W1642-F1653 AromaticContact CH2-CE1 3.77Å; W1642-F1653 HydrophobicContact CH2-CE1 3.77Å; W1642-F1653 HydrophobicContact CZ2-CD1 4.19Å; W1642-F1653 HydrophobicContact CZ3-CD1 4.45Å; W1642-F1653 HydrophobicContact CZ3-CE1 4.42Å; W1642-F1654 HydrophobicContact CB-CD2 4.39Å; W1642-F1654 HydrophobicContact CD2-CD2 4Å; W1642-F1654 HydrophobicContact CE3-CD2 4.08Å; W1642-F1654 HydrophobicContact CG-CD2 4.13Å
1643G84.4Confident83.2Confident1 Ų142.1 Ų42.11%0.0121%0.209CC..Iπ-helixtrans-55.7-61.8-174.200000112.7Y1617 M1638 S1639 S1646Y1617-G1643 VanDerWaalsContact OH-C 3.23Å; Y1617-G1643 VanDerWaalsContact OH-CA 3.28Å; Y1617-G1643 WeakPolarHBondContact OH-CA 3.49Å; Y1617-G1643 PolarHBondContact OH-O 3.24Å; M1638-G1643 PolarHBondContact O-N 2.91Å; S1639-G1643 PolarHBondContact O-N 3.41Å; G1643-S1646 PolarHBondContact O-OG 3.34Å
1644N83.7Confident83.2Confident21 Ų2140.2 Ų40.211%0.11220%0.199CC..THydrogen-bonded Turntrans-80.8-24.3-171.4-159.423.1000114.7Y1617 S1639 S1646 L1943 A1946 R1950Y1617-N1644 HydrophobicContact CE2-CB 4.47Å; S1639-N1644 PolarHBondContact O-N 3.42Å; N1644-S1646 VanDerWaalsContact C-N 3.34Å; N1644-L1943 HydrophobicContact CB-CD2 4.24Å; N1644-L1943 PolarHBondContact ND2-O 3.07Å; N1644-A1946 HydrophobicContact CB-CB 4.18Å; N1644-A1946 WeakPolarHBondContact ND2-CB 3.35Å; N1644-R1950 PolarHBondContact O-NH1 3.38Å; N1644-R1950 PolarHBondContact OD1-NH1 3.22Å
1645L83.3Confident83.3Confident11 Ų1138.7 Ų38.76%0.05819%0.188CC..THydrogen-bonded Turntrans-78.4-15175.1-71.6177.1000113.1F1814 L1818 L1899 A1946 I1949L1645-F1814 HydrophobicContact CB-CE1 4.35Å; L1645-F1814 HydrophobicContact CB-CZ 3.87Å; L1645-L1818 HydrophobicContact CD2-CD1 4.38Å; L1645-L1818 HydrophobicContact CD2-CD2 4.46Å; L1645-L1818 WeakPolarHBondContact O-CD1 3.43Å; L1645-L1899 HydrophobicContact CD1-CD1 4.43Å; L1645-A1946 HydrophobicContact CD2-CB 3.9Å; L1645-A1946 HydrophobicContact CG-CB 4.31Å; L1645-I1949 HydrophobicContact CD2-CB 4.37Å; L1645-I1949 HydrophobicContact CD2-CG2 4.17Å
1646S79.2Confident83.2Confident10 Ų1040.6 Ų40.67%0.0720%0.2CC..SBendtrans-69.213717568.50000112.8W1642 G1643 N1644 P1650 R1950W1642-S1646 WeakPolarHBondContact O-CB 3.37Å; W1642-S1646 PolarHBondContact O-N 2.84Å; G1643-S1646 PolarHBondContact O-OG 3.34Å; N1644-S1646 VanDerWaalsContact C-N 3.34Å; S1646-P1650 VanDerWaalsContact OG-CA 3.3Å; S1646-P1650 WeakPolarHBondContact OG-CA 3.48Å; S1646-R1950 WeakPolarHBondContact O-CD 3.34Å
1647N69.4Low83.4Confident51 Ų5142.3 Ų42.327%0.27321%0.21SC..SBendtrans-124.6130177.7-173.3-14.6000109.1P1821 F1823 R1950N1647-P1821 WeakPolarHBondContact ND2-CB 3.4Å; N1647-F1823 PolarHBondContact ND2-O 2.93Å; N1647-R1950 HydrophobicContact CB-CG 4.11Å
1648P66Low83.5Confident84 Ų8440.3 Ų40.355%0.54520%0.2SC..SBendcis-87.4-12.2-0.734.6-35.9000114.7
1649R70.8Confident83.6Confident78 Ų7838.7 Ų38.729%0.29419%0.192SC..  trans-154.1157.5-178.870.1-175.1-166.7-1678.2111.4L1730 K1732 D1733R1649-L1730 PolarHBondContact NH2-O 2.9Å; R1649-L1730 VanDerWaalsContact NH2-O 3.16Å; R1649-K1732 PolarHBondContact NH2-O 3.17Å; R1649-D1733 IonicContact NH2-OD1 3.73Å; R1649-D1733 PolarHBondContact NH2-OD1 2.93Å
1650P77.9Confident83.7Confident16 Ų1641.2 Ų41.210%0.10421%0.207CC..  trans-63.3147172.1-16.428.3000111.7Y1617 S1646 F1654 W1655Y1617-P1650 WeakPolarHBondContact OH-CG 3.38Å; S1646-P1650 VanDerWaalsContact OG-CA 3.3Å; S1646-P1650 WeakPolarHBondContact OG-CA 3.48Å; P1650-F1654 HydrophobicContact CB-CB 4.28Å; P1650-F1654 HydrophobicContact CB-CD1 3.6Å; P1650-F1654 HydrophobicContact CB-CE1 4.22Å; P1650-F1654 HydrophobicContact CB-CG 4.06Å; P1650-F1654 HydrophobicContact CG-CD1 4.41Å; P1650-W1655 HydrophobicContact CB-CZ2 4.43Å; P1650-W1655 HydrophobicContact CG-CZ2 4.05Å
1651S78.4Confident83.9Confident44 Ų4444.5 Ų44.531%0.30822%0.22SC..  trans-68.9158.8179.569.20000112.1F1653 F1654 W1655S1651-F1653 PolarHBondContact O-N 3.3Å; S1651-F1653 PolarHBondContact OG-N 3.21Å; S1651-F1654 WeakPolarHBondContact O-CB 3.31Å; S1651-F1654 PolarHBondContact O-N 3.36Å; S1651-F1654 PolarHBondContact OG-N 3.45Å; S1651-W1655 PolarHBondContact O-N 3.47Å
1652K83.7Confident84.2Confident100 Ų10041 Ų4144%0.43520%0.204SC..Hα-helixtrans-53.6-37168.1175.8-166.6160.6-1530111.6W1655 V1656 W1731K1652-W1655 PolarHBondContact O-N 3.5Å; K1652-V1656 HydrophobicContact CG-CG2 4.19Å; K1652-V1656 WeakPolarHBondContact O-CG2 3.41Å; K1652-V1656 PolarHBondContact O-N 3.39Å; K1652-W1731 HydrophobicContact CG-CZ2 4.27Å
1653F86.2Confident84.4Confident133 Ų13338 Ų3858%0.58320%0.195SC*.Hα-helixtrans-63.1-40.6-179.1-176.3-92.1000112.2W1642 S1651 V1656 T1657W1642-F1653 AromaticContact CH2-CD1 3.57Å; W1642-F1653 HydrophobicContact CH2-CD1 3.57Å; W1642-F1653 AromaticContact CH2-CE1 3.77Å; W1642-F1653 HydrophobicContact CH2-CE1 3.77Å; W1642-F1653 HydrophobicContact CZ2-CD1 4.19Å; W1642-F1653 HydrophobicContact CZ3-CD1 4.45Å; W1642-F1653 HydrophobicContact CZ3-CE1 4.42Å; S1651-F1653 PolarHBondContact O-N 3.3Å; S1651-F1653 PolarHBondContact OG-N 3.21Å; F1653-V1656 PolarHBondContact O-N 3.04Å; F1653-T1657 WeakPolarHBondContact CE1-OG1 3.26Å; F1653-T1657 WeakPolarHBondContact O-CB 3.44Å; F1653-T1657 PolarHBondContact O-N 2.88Å; F1653-T1657 PolarHBondContact O-OG1 3.26Å
1654F88.7Confident84.6Confident0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-55.8-53.1173.6169.6-93.7000111.4Y1617 M1638 W1642 P1650 S1651 V1656 T1657 M1658Y1617-F1654 AromaticContact CE1-CE1 3.91Å; Y1617-F1654 HydrophobicContact CE1-CE1 3.91Å; Y1617-F1654 AromaticContact CE1-CZ 3.79Å; Y1617-F1654 HydrophobicContact CE1-CZ 3.79Å; M1638-F1654 HydrophobicContact CB-CE2 4.16Å; M1638-F1654 HydrophobicContact CE-CD2 4.36Å; M1638-F1654 HydrophobicContact CE-CE2 4.4Å; W1642-F1654 HydrophobicContact CB-CD2 4.39Å; W1642-F1654 HydrophobicContact CD2-CD2 4Å; W1642-F1654 HydrophobicContact CE3-CD2 4.08Å; W1642-F1654 HydrophobicContact CG-CD2 4.13Å; P1650-F1654 HydrophobicContact CB-CB 4.28Å; P1650-F1654 HydrophobicContact CB-CD1 3.6Å; P1650-F1654 HydrophobicContact CB-CE1 4.22Å; P1650-F1654 HydrophobicContact CB-CG 4.06Å; P1650-F1654 HydrophobicContact CG-CD1 4.41Å; S1651-F1654 WeakPolarHBondContact O-CB 3.31Å; S1651-F1654 PolarHBondContact O-N 3.36Å; S1651-F1654 PolarHBondContact OG-N 3.45Å; F1654-V1656 PolarHBondContact O-N 2.93Å; F1654-T1657 PolarHBondContact O-N 3.17Å; F1654-M1658 HydrophobicContact CE1-SD 4Å; F1654-M1658 HydrophobicContact CZ-SD 3.89Å; F1654-M1658 WeakPolarHBondContact O-CB 3.3Å; F1654-M1658 PolarHBondContact O-N 2.89Å
1655W91.5Very high84.8Confident9 Ų940.5 Ų40.53%0.03421%0.213CC..Hα-helixtrans-67.3-36.8-178.2-66.2113.1000113.9D1613 C1616 Y1617 P1650 S1651 K1652 M1658 I1659 L1718 H1721 W1731D1613-W1655 HydrophobicContact CB-CH2 4.19Å; D1613-W1655 HydrophobicContact CB-CZ2 4.09Å; C1616-W1655 HydrophobicContact CB-CH2 3.98Å; C1616-W1655 HydrophobicContact CB-CZ3 3.7Å; Y1617-W1655 HydrophobicContact CD1-CH2 4.48Å; Y1617-W1655 AromaticContact CE1-CH2 3.84Å; Y1617-W1655 HydrophobicContact CE1-CH2 3.84Å; Y1617-W1655 HydrophobicContact CE1-CZ2 4.4Å; P1650-W1655 HydrophobicContact CB-CZ2 4.43Å; P1650-W1655 HydrophobicContact CG-CZ2 4.05Å; S1651-W1655 PolarHBondContact O-N 3.47Å; K1652-W1655 PolarHBondContact O-N 3.5Å; W1655-M1658 HydrophobicContact CE3-SD 4.15Å; W1655-M1658 HydrophobicContact CZ3-SD 3.94Å; W1655-I1659 WeakPolarHBondContact O-CG1 3.24Å; W1655-I1659 PolarHBondContact O-N 2.87Å; W1655-L1718 HydrophobicContact CE3-CD2 3.71Å; W1655-L1718 HydrophobicContact CZ3-CD2 3.76Å; W1655-H1721 AromaticContact CD2-CD2 3.59Å; W1655-H1721 AromaticContact CD2-NE2 3.69Å; W1655-H1721 AromaticContact CE2-CD2 3.59Å; W1655-H1721 AromaticContact CE2-NE2 3.16Å; W1655-H1721 AromaticContact CE3-CD2 3.69Å; W1655-H1721 AromaticContact CH2-CD2 3.82Å; W1655-H1721 AromaticContact CH2-NE2 3.73Å; W1655-H1721 AromaticContact CZ2-CD2 3.73Å; W1655-H1721 AromaticContact CZ2-CE1 3.99Å; W1655-H1721 AromaticContact CZ2-NE2 3.2Å; W1655-H1721 WeakPolarHBondContact CZ2-NE2 3.38Å; W1655-H1721 AromaticContact CZ3-CD2 3.8Å; W1655-H1721 AromaticContact NE1-NE2 3.53Å; W1655-W1731 HydrophobicContact CB-CH2 4.26Å; W1655-W1731 HydrophobicContact CB-CZ3 4Å
1656V90Very high85.1Confident43 Ų4340.8 Ų40.826%0.26121%0.214SC..Hα-helixtrans-64.4-48.1174171.60000110.3K1652 F1653 F1654 M1658 I1659 T1660 W1731K1652-V1656 HydrophobicContact CG-CG2 4.19Å; K1652-V1656 WeakPolarHBondContact O-CG2 3.41Å; K1652-V1656 PolarHBondContact O-N 3.39Å; F1653-V1656 PolarHBondContact O-N 3.04Å; F1654-V1656 PolarHBondContact O-N 2.93Å; V1656-M1658 VanDerWaalsContact C-N 3.29Å; V1656-M1658 PolarHBondContact O-N 2.83Å; V1656-I1659 PolarHBondContact O-N 3.09Å; V1656-T1660 HydrophobicContact CG1-CG2 4.39Å; V1656-T1660 PolarHBondContact O-N 3.38Å; V1656-T1660 PolarHBondContact O-OG1 2.87Å; V1656-T1660 VanDerWaalsContact O-OG1 3.05Å; V1656-W1731 HydrophobicContact CG2-CH2 3.84Å; V1656-W1731 HydrophobicContact CG2-CZ2 3.69Å
1657T91Very high85.4Confident37 Ų3743.3 Ų43.323%0.22723%0.229CC..Hα-helixtrans-58.8-42.6178.3-53.90000111.1M1638 F1653 F1654 T1660 Y1661M1638-T1657 HydrophobicContact CE-CG2 3.96Å; F1653-T1657 WeakPolarHBondContact CE1-OG1 3.26Å; F1653-T1657 WeakPolarHBondContact O-CB 3.44Å; F1653-T1657 PolarHBondContact O-N 2.88Å; F1653-T1657 PolarHBondContact O-OG1 3.26Å; F1654-T1657 PolarHBondContact O-N 3.17Å; T1657-T1660 WeakPolarHBondContact CA-OG1 3.36Å; T1657-T1660 PolarHBondContact O-N 3.37Å; T1657-T1660 PolarHBondContact O-OG1 3.42Å; T1657-T1660 VanDerWaalsContact O-OG1 3.05Å; T1657-Y1661 WeakPolarHBondContact O-CB 3.19Å; T1657-Y1661 PolarHBondContact O-N 3.36Å
1658M91.1Very high86.3Confident3 Ų344.9 Ų44.92%0.01524%0.236CC..Hα-helixtrans-63.5-43.1178.4-166.6171.217500112.3A1620 F1654 W1655 V1656 T1662 L1714 L1718A1620-M1658 HydrophobicContact CB-CE 3.8Å; F1654-M1658 HydrophobicContact CE1-SD 4Å; F1654-M1658 HydrophobicContact CZ-SD 3.89Å; F1654-M1658 WeakPolarHBondContact O-CB 3.3Å; F1654-M1658 PolarHBondContact O-N 2.89Å; W1655-M1658 HydrophobicContact CE3-SD 4.15Å; W1655-M1658 HydrophobicContact CZ3-SD 3.94Å; V1656-M1658 VanDerWaalsContact C-N 3.29Å; V1656-M1658 PolarHBondContact O-N 2.83Å; M1658-T1662 WeakPolarHBondContact O-CG2 3.18Å; M1658-T1662 PolarHBondContact O-N 2.85Å; M1658-T1662 PolarHBondContact O-OG1 2.79Å; M1658-L1714 HydrophobicContact CE-CD1 4.02Å; M1658-L1718 HydrophobicContact CB-CD2 4.42Å; M1658-L1718 HydrophobicContact CE-CD1 4.49Å; M1658-L1718 HydrophobicContact CE-CD2 3.99Å; M1658-L1718 HydrophobicContact CG-CD1 4Å; M1658-L1718 HydrophobicContact CG-CD2 3.92Å; M1658-L1718 HydrophobicContact SD-CD2 3.73Å
1659I91.1Very high87.3Confident3 Ų341.3 Ų41.32%0.01521%0.212CC..Hα-helixtrans-64.4-50.1174.2-69.9164.8000111.2W1200 W1655 V1656 Y1661 T1662 E1663 L1718 F1719 R1722W1200-I1659 HydrophobicContact CZ3-CG2 4.22Å; W1655-I1659 WeakPolarHBondContact O-CG1 3.24Å; W1655-I1659 PolarHBondContact O-N 2.87Å; V1656-I1659 PolarHBondContact O-N 3.09Å; I1659-Y1661 VanDerWaalsContact C-N 3.25Å; I1659-Y1661 PolarHBondContact O-N 3.07Å; I1659-T1662 PolarHBondContact O-N 3.32Å; I1659-T1662 PolarHBondContact O-OG1 3.09Å; I1659-E1663 HydrophobicContact CG2-CG 4.32Å; I1659-E1663 WeakPolarHBondContact O-CG 3.2Å; I1659-E1663 PolarHBondContact O-N 2.83Å; I1659-L1718 HydrophobicContact CD1-CB 4.36Å; I1659-L1718 HydrophobicContact CG1-CB 3.72Å; I1659-L1718 HydrophobicContact CG1-CD1 4.19Å; I1659-L1718 HydrophobicContact CG1-CG 4.37Å; I1659-F1719 HydrophobicContact CG2-CE2 4.13Å; I1659-F1719 HydrophobicContact CG2-CZ 4.33Å; I1659-R1722 HydrophobicContact CD1-CB 4.37Å
1660T90.9Very high88Confident52 Ų5237.8 Ų37.832%0.31920%0.199SC..Hα-helixtrans-64.6-33.6-178.150.80000111.7V1656 T1657 C1664V1656-T1660 HydrophobicContact CG1-CG2 4.39Å; V1656-T1660 PolarHBondContact O-N 3.38Å; V1656-T1660 PolarHBondContact O-OG1 2.87Å; V1656-T1660 VanDerWaalsContact O-OG1 3.05Å; T1657-T1660 WeakPolarHBondContact CA-OG1 3.36Å; T1657-T1660 PolarHBondContact O-N 3.37Å; T1657-T1660 PolarHBondContact O-OG1 3.42Å; T1657-T1660 VanDerWaalsContact O-OG1 3.05Å; T1660-C1664 WeakPolarHBondContact O-CB 3.41Å; T1660-C1664 PolarHBondContact O-N 3.13Å; T1660-C1664 PolarHBondContact O-SG 3.28Å
1661Y92.4Very high88.4Confident70 Ų7039.9 Ų39.928%0.27521%0.211SC..Hα-helixtrans-68-43.5175.1-166.2-94000111.3I1631 L1635 T1657 I1659 C1664 V1665I1631-Y1661 WeakPolarHBondContact O-CE1 3.24Å; I1631-Y1661 PolarHBondContact O-OH 3.04Å; L1635-Y1661 HydrophobicContact CD2-CD1 3.83Å; L1635-Y1661 HydrophobicContact CD2-CE1 4.4Å; L1635-Y1661 HydrophobicContact CG-CD1 4.23Å; L1635-Y1661 HydrophobicContact CG-CE1 4.29Å; T1657-Y1661 WeakPolarHBondContact O-CB 3.19Å; T1657-Y1661 PolarHBondContact O-N 3.36Å; I1659-Y1661 VanDerWaalsContact C-N 3.25Å; I1659-Y1661 PolarHBondContact O-N 3.07Å; Y1661-C1664 PolarHBondContact O-N 2.75Å; Y1661-V1665 HydrophobicContact CD1-CG2 3.85Å; Y1661-V1665 HydrophobicContact CE1-CG2 3.58Å; Y1661-V1665 WeakPolarHBondContact O-CB 3.1Å; Y1661-V1665 VanDerWaalsContact O-CG2 3.27Å; Y1661-V1665 WeakPolarHBondContact O-CG2 3.27Å; Y1661-V1665 PolarHBondContact O-N 2.92Å
1662T91.7Very high88.8Confident0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-66.7-38.6175.954.80000112.6L1635 M1658 I1659 V1665 I1666 L1714 L1718L1635-T1662 HydrophobicContact CD2-CG2 4.05Å; M1658-T1662 WeakPolarHBondContact O-CG2 3.18Å; M1658-T1662 PolarHBondContact O-N 2.85Å; M1658-T1662 PolarHBondContact O-OG1 2.79Å; I1659-T1662 PolarHBondContact O-N 3.32Å; I1659-T1662 PolarHBondContact O-OG1 3.09Å; T1662-V1665 PolarHBondContact O-N 3.28Å; T1662-I1666 VanDerWaalsContact O-CG1 3.28Å; T1662-I1666 WeakPolarHBondContact O-CG1 3.38Å; T1662-I1666 PolarHBondContact O-N 3.41Å; T1662-L1714 HydrophobicContact CG2-CD2 3.59Å; T1662-L1714 HydrophobicContact CG2-CG 4.02Å; T1662-L1718 HydrophobicContact CG2-CD1 4.01Å
1663E90.3Very high88.8Confident32 Ų3234.4 Ų34.415%0.1519%0.185CC..Hα-helixtrans-60.5-45.8172.3-71.5173.7167.600111.3I1659 I1666 V1667 L1715 F1719I1659-E1663 HydrophobicContact CG2-CG 4.32Å; I1659-E1663 WeakPolarHBondContact O-CG 3.2Å; I1659-E1663 PolarHBondContact O-N 2.83Å; E1663-I1666 PolarHBondContact O-N 3.48Å; E1663-V1667 WeakPolarHBondContact O-CG2 3.19Å; E1663-V1667 PolarHBondContact O-N 3.11Å; E1663-L1715 HydrophobicContact CG-CD1 3.67Å; E1663-F1719 WeakPolarHBondContact OE1-CE2 3.45Å; E1663-F1719 WeakPolarHBondContact OE1-CZ 3.04Å
1664C88.9Confident88.7Confident71 Ų7128.8 Ų28.848%0.4816%0.16SC..Hα-helixtrans-63-42.9175.2-68.80000112.3T1660 Y1661 I1666 V1667 I1668T1660-C1664 WeakPolarHBondContact O-CB 3.41Å; T1660-C1664 PolarHBondContact O-N 3.13Å; T1660-C1664 PolarHBondContact O-SG 3.28Å; Y1661-C1664 PolarHBondContact O-N 2.75Å; C1664-I1666 PolarHBondContact O-N 3.44Å; C1664-V1667 PolarHBondContact O-N 3.31Å; C1664-I1668 WeakPolarHBondContact O-CB 3.2Å; C1664-I1668 WeakPolarHBondContact O-CD1 3.26Å; C1664-I1668 WeakPolarHBondContact O-CG1 3.3Å; C1664-I1668 PolarHBondContact O-N 3.44Å
1665V89.1Confident88Confident4 Ų430.9 Ų30.92%0.02418%0.178CC..Hα-helixtrans-63-40.2177.6168.40000111.4I1631 Y1661 T1662 K1669I1631-V1665 HydrophobicContact CG2-CG1 4.48Å; I1631-V1665 HydrophobicContact CG2-CG2 3.82Å; Y1661-V1665 HydrophobicContact CD1-CG2 3.85Å; Y1661-V1665 HydrophobicContact CE1-CG2 3.58Å; Y1661-V1665 WeakPolarHBondContact O-CB 3.1Å; Y1661-V1665 VanDerWaalsContact O-CG2 3.27Å; Y1661-V1665 WeakPolarHBondContact O-CG2 3.27Å; Y1661-V1665 PolarHBondContact O-N 2.92Å; T1662-V1665 PolarHBondContact O-N 3.28Å; V1665-K1669 HydrophobicContact CG1-CD 3.86Å; V1665-K1669 HydrophobicContact CG1-CG 4.27Å; V1665-K1669 VanDerWaalsContact O-CB 3.25Å; V1665-K1669 WeakPolarHBondContact O-CB 3.24Å; V1665-K1669 VanDerWaalsContact O-CG 3.24Å; V1665-K1669 WeakPolarHBondContact O-CG 3.36Å; V1665-K1669 PolarHBondContact O-N 3.38Å
1666I88.3Confident87.4Confident16 Ų1634.7 Ų34.78%0.08219%0.194CC..Hα-helixtrans-63.6-47175.9-70165000110.8T1662 E1663 C1664 K1669 F1670 D1711 I1712 L1715T1662-I1666 VanDerWaalsContact O-CG1 3.28Å; T1662-I1666 WeakPolarHBondContact O-CG1 3.38Å; T1662-I1666 PolarHBondContact O-N 3.41Å; E1663-I1666 PolarHBondContact O-N 3.48Å; C1664-I1666 PolarHBondContact O-N 3.44Å; I1666-K1669 PolarHBondContact O-N 2.91Å; I1666-F1670 WeakPolarHBondContact O-CB 3.47Å; I1666-F1670 PolarHBondContact O-N 3.2Å; I1666-D1711 HydrophobicContact CD1-CB 4.11Å; I1666-D1711 HydrophobicContact CG1-CB 3.71Å; I1666-I1712 HydrophobicContact CD1-CG1 4.26Å; I1666-L1715 HydrophobicContact CD1-CB 4.24Å; I1666-L1715 HydrophobicContact CD1-CD2 3.88Å; I1666-L1715 HydrophobicContact CD1-CG 4.47Å
1667V86.6Confident87Confident63 Ų6334.6 Ų34.638%0.38219%0.192SC..Hα-helixtrans-65.3-44.4179.2174.20000111.6E1663 C1664 F1670 V1671E1663-V1667 WeakPolarHBondContact O-CG2 3.19Å; E1663-V1667 PolarHBondContact O-N 3.11Å; C1664-V1667 PolarHBondContact O-N 3.31Å; V1667-F1670 PolarHBondContact O-N 3.04Å; V1667-V1671 HydrophobicContact CG1-CG2 4.47Å; V1667-V1671 WeakPolarHBondContact O-CG2 3.3Å; V1667-V1671 PolarHBondContact O-N 3.41Å
1668I87Confident86.5Confident84 Ų8437.7 Ų37.743%0.43121%0.212SC..Hα-helixtrans-61.7-48.2176.5-70165.5000110.2C1664 F1670 V1671 C1672C1664-I1668 WeakPolarHBondContact O-CB 3.2Å; C1664-I1668 WeakPolarHBondContact O-CD1 3.26Å; C1664-I1668 WeakPolarHBondContact O-CG1 3.3Å; C1664-I1668 PolarHBondContact O-N 3.44Å; I1668-F1670 VanDerWaalsContact C-N 3.33Å; I1668-F1670 PolarHBondContact O-N 3.23Å; I1668-V1671 PolarHBondContact O-N 3.07Å; I1668-C1672 VanDerWaalsContact O-CB 3.29Å; I1668-C1672 WeakPolarHBondContact O-CB 3.32Å; I1668-C1672 PolarHBondContact O-N 3.32Å; I1668-C1672 PolarHBondContact O-SG 3.39Å
1669K87.1Confident86.1Confident10 Ų1040.1 Ų40.14%0.04322%0.221CC..Hα-helixtrans-60.5-41.2177.8-76.2177.1174.4176.20112.3V1665 I1666 C1672 Q1673 F1707 D1711V1665-K1669 HydrophobicContact CG1-CD 3.86Å; V1665-K1669 HydrophobicContact CG1-CG 4.27Å; V1665-K1669 VanDerWaalsContact O-CB 3.25Å; V1665-K1669 WeakPolarHBondContact O-CB 3.24Å; V1665-K1669 VanDerWaalsContact O-CG 3.24Å; V1665-K1669 WeakPolarHBondContact O-CG 3.36Å; V1665-K1669 PolarHBondContact O-N 3.38Å; I1666-K1669 PolarHBondContact O-N 2.91Å; K1669-C1672 CarbonylContact O-C 3.53Å; K1669-C1672 PolarHBondContact O-N 2.65Å; K1669-Q1673 WeakPolarHBondContact O-CG 3.32Å; K1669-Q1673 PolarHBondContact O-N 3.03Å; K1669-Q1673 VanDerWaalsContact O-N 3.13Å; K1669-Q1673 PolarHBondContact O-NE2 3.32Å; K1669-F1707 HydrophobicContact CB-CD2 3.82Å; K1669-F1707 HydrophobicContact CB-CE2 4.15Å; K1669-D1711 IonicContact NZ-OD1 2.72Å; K1669-D1711 PolarHBondContact NZ-OD1 2.89Å; K1669-D1711 IonicContact NZ-OD2 3.05Å; K1669-D1711 PolarHBondContact NZ-OD2 3.43Å
1670F86.5Confident85.5Confident4 Ų440.3 Ų40.32%0.01822%0.223CC..Hα-helixtrans-62.4-50.8176.4-179.1-85.1000111.5A1188 L1189 I1192 I1666 V1667 I1668 C1672 Q1673 F1674 F1707A1188-F1670 HydrophobicContact CB-CZ 4.39Å; L1189-F1670 HydrophobicContact CB-CE1 3.93Å; L1189-F1670 HydrophobicContact CB-CZ 4.14Å; L1189-F1670 HydrophobicContact CD1-CD1 4.15Å; L1189-F1670 HydrophobicContact CD1-CE1 3.92Å; L1189-F1670 HydrophobicContact CG-CE1 4.43Å; I1192-F1670 HydrophobicContact CD1-CD2 3.55Å; I1192-F1670 HydrophobicContact CD1-CE2 3.59Å; I1192-F1670 HydrophobicContact CD1-CG 4.18Å; I1192-F1670 HydrophobicContact CD1-CZ 4.24Å; I1666-F1670 WeakPolarHBondContact O-CB 3.47Å; I1666-F1670 PolarHBondContact O-N 3.2Å; V1667-F1670 PolarHBondContact O-N 3.04Å; I1668-F1670 VanDerWaalsContact C-N 3.33Å; I1668-F1670 PolarHBondContact O-N 3.23Å; F1670-C1672 PolarHBondContact O-N 2.68Å; F1670-Q1673 WeakPolarHBondContact O-CB 3.36Å; F1670-Q1673 PolarHBondContact O-N 3.03Å; F1670-F1674 HydrophobicContact CE1-CE2 4.21Å; F1670-F1674 HydrophobicContact CE1-CZ 4.19Å; F1670-F1707 HydrophobicContact CB-CE2 4.28Å; F1670-F1707 HydrophobicContact CB-CZ 4.41Å; F1670-F1707 HydrophobicContact CD2-CZ 4.13Å
1671V85.7Confident84.9Confident59 Ų5939.8 Ų39.836%0.35822%0.221SC..Hα-helixtrans-60.7-33.6176.4172.50000111.5V1667 I1668 Q1673 F1674 M1677V1667-V1671 HydrophobicContact CG1-CG2 4.47Å; V1667-V1671 WeakPolarHBondContact O-CG2 3.3Å; V1667-V1671 PolarHBondContact O-N 3.41Å; I1668-V1671 PolarHBondContact O-N 3.07Å; V1671-Q1673 VanDerWaalsContact C-N 3.33Å; V1671-Q1673 PolarHBondContact O-N 3.33Å; V1671-F1674 WeakPolarHBondContact O-CD2 3.36Å; V1671-M1677 HydrophobicContact CG1-CE 4.17Å
1672C86.4Confident84.2Confident22 Ų2242.4 Ų42.415%0.14924%0.238CC..THydrogen-bonded Turntrans-78-7.3175.8-70.40000115I1668 K1669 F1670 Y1679 N1680 V1701I1668-C1672 VanDerWaalsContact O-CB 3.29Å; I1668-C1672 WeakPolarHBondContact O-CB 3.32Å; I1668-C1672 PolarHBondContact O-N 3.32Å; I1668-C1672 PolarHBondContact O-SG 3.39Å; K1669-C1672 CarbonylContact O-C 3.53Å; K1669-C1672 PolarHBondContact O-N 2.65Å; F1670-C1672 PolarHBondContact O-N 2.68Å; C1672-Y1679 WeakPolarHBondContact CA-OH 3.29Å; C1672-Y1679 VanDerWaalsContact CB-OH 3.27Å; C1672-Y1679 WeakPolarHBondContact CB-OH 3.34Å; C1672-Y1679 PolarHBondContact O-OH 3.5Å; C1672-Y1679 PolarHBondContact SG-OH 3.42Å; C1672-N1680 PolarHBondContact O-ND2 2.88Å; C1672-V1701 HydrophobicContact CB-CG1 3.33Å
1673Q84.7Confident83.7Confident8 Ų847.6 Ų47.64%0.03727%0.27CS..THydrogen-bonded Turntrans-80.4-19.7172.3-65.5-46.9-7900113.2T1184 K1669 F1670 V1671 A1675 N1680 Q1703 R1704 F1707T1184-Q1673 HydrophobicContact CG2-CB 3.76Å; T1184-Q1673 HydrophobicContact CG2-CG 4.49Å; K1669-Q1673 WeakPolarHBondContact O-CG 3.32Å; K1669-Q1673 PolarHBondContact O-N 3.03Å; K1669-Q1673 VanDerWaalsContact O-N 3.13Å; K1669-Q1673 PolarHBondContact O-NE2 3.32Å; F1670-Q1673 WeakPolarHBondContact O-CB 3.36Å; F1670-Q1673 PolarHBondContact O-N 3.03Å; V1671-Q1673 VanDerWaalsContact C-N 3.33Å; V1671-Q1673 PolarHBondContact O-N 3.33Å; Q1673-A1675 PolarHBondContact O-N 2.94Å; Q1673-N1680 PolarHBondContact O-ND2 3.4Å; Q1673-Q1703 VanDerWaalsContact OE1-CA 3.3Å; Q1673-R1704 VanDerWaalsContact OE1-N 3.12Å; Q1673-F1707 HydrophobicContact CG-CD1 3.61Å; Q1673-F1707 HydrophobicContact CG-CD2 4.02Å; Q1673-F1707 HydrophobicContact CG-CE1 3.7Å; Q1673-F1707 HydrophobicContact CG-CE2 4.08Å; Q1673-F1707 HydrophobicContact CG-CG 3.78Å; Q1673-F1707 HydrophobicContact CG-CZ 3.94Å
1674F83.1Confident83.4Confident15 Ų1550 Ų507%0.06628%0.278CS..SBendtrans-55.7135.9-176.8-80.7-69.7000112.2T1184 L1266 F1670 V1671 F1676 M1677 N1680T1184-F1674 WeakPolarHBondContact O-CE1 3.23Å; T1184-F1674 VanDerWaalsContact O-CZ 3.27Å; T1184-F1674 WeakPolarHBondContact O-CZ 3.42Å; L1266-F1674 HydrophobicContact CD1-CE1 4.38Å; L1266-F1674 HydrophobicContact CD1-CZ 4.47Å; F1670-F1674 HydrophobicContact CE1-CE2 4.21Å; F1670-F1674 HydrophobicContact CE1-CZ 4.19Å; V1671-F1674 WeakPolarHBondContact O-CD2 3.36Å; F1674-F1676 HydrophobicContact CB-CD1 3.7Å; F1674-F1676 HydrophobicContact CB-CE1 3.35Å; F1674-F1676 HydrophobicContact CB-CE2 4.39Å; F1674-F1676 HydrophobicContact CB-CG 4.35Å; F1674-F1676 HydrophobicContact CB-CZ 3.73Å; F1674-F1676 HydrophobicContact CD1-CD1 4.43Å; F1674-F1676 AromaticContact CD1-CE1 3.88Å; F1674-F1676 HydrophobicContact CD1-CE1 3.88Å; F1674-F1676 AromaticContact CD2-CE1 3.93Å; F1674-F1676 HydrophobicContact CD2-CE1 3.93Å; F1674-F1676 HydrophobicContact CD2-CZ 4.02Å; F1674-F1676 HydrophobicContact CG-CD1 4.19Å; F1674-F1676 AromaticContact CG-CE1 3.48Å; F1674-F1676 HydrophobicContact CG-CE1 3.48Å; F1674-F1676 VanDerWaalsContact CG-CE1 3.48Å; F1674-F1676 AromaticContact CG-CZ 3.96Å; F1674-F1676 HydrophobicContact CG-CZ 3.96Å; F1674-F1676 PolarHBondContact O-N 2.96Å; F1674-F1676 VanDerWaalsContact O-N 3.17Å; F1674-M1677 WeakPolarHBondContact O-CB 3.38Å; F1674-M1677 PolarHBondContact O-N 2.84Å; F1674-M1677 VanDerWaalsContact O-N 3.17Å; F1674-N1680 PolarHBondContact O-ND2 3.32Å
1675A75.7Confident82.9Confident44 Ų4452 Ų5236%0.36428%0.276SS..THydrogen-bonded Turntrans-66.5-16.1-175.100000114.7Q1673 M1677Q1673-A1675 PolarHBondContact O-N 2.94Å; A1675-M1677 VanDerWaalsContact C-N 3.25Å; A1675-M1677 PolarHBondContact O-N 2.98Å
1676F78.6Confident82.5Confident89 Ų8956.4 Ų56.439%0.3930%0.302SS..THydrogen-bonded Turntrans-74.5-10.2174.864.3-106.9000114F1674F1674-F1676 HydrophobicContact CB-CD1 3.7Å; F1674-F1676 HydrophobicContact CB-CE1 3.35Å; F1674-F1676 HydrophobicContact CB-CE2 4.39Å; F1674-F1676 HydrophobicContact CB-CG 4.35Å; F1674-F1676 HydrophobicContact CB-CZ 3.73Å; F1674-F1676 HydrophobicContact CD1-CD1 4.43Å; F1674-F1676 AromaticContact CD1-CE1 3.88Å; F1674-F1676 HydrophobicContact CD1-CE1 3.88Å; F1674-F1676 AromaticContact CD2-CE1 3.93Å; F1674-F1676 HydrophobicContact CD2-CE1 3.93Å; F1674-F1676 HydrophobicContact CD2-CZ 4.02Å; F1674-F1676 HydrophobicContact CG-CD1 4.19Å; F1674-F1676 AromaticContact CG-CE1 3.48Å; F1674-F1676 HydrophobicContact CG-CE1 3.48Å; F1674-F1676 VanDerWaalsContact CG-CE1 3.48Å; F1674-F1676 AromaticContact CG-CZ 3.96Å; F1674-F1676 HydrophobicContact CG-CZ 3.96Å; F1674-F1676 PolarHBondContact O-N 2.96Å; F1674-F1676 VanDerWaalsContact O-N 3.17Å
1677M81.8Confident82.2Confident41 Ų4162.8 Ų62.820%0.20233%0.332CS..SBendtrans-71.8128.7176.6-67.7-65.3-171.500110.7V1671 F1674 A1675 Y1679 N1680V1671-M1677 HydrophobicContact CG1-CE 4.17Å; F1674-M1677 WeakPolarHBondContact O-CB 3.38Å; F1674-M1677 PolarHBondContact O-N 2.84Å; F1674-M1677 VanDerWaalsContact O-N 3.17Å; A1675-M1677 VanDerWaalsContact C-N 3.25Å; A1675-M1677 PolarHBondContact O-N 2.98Å; M1677-Y1679 VanDerWaalsContact C-N 3.29Å; M1677-Y1679 HydrophobicContact CB-CD1 4.45Å; M1677-Y1679 HydrophobicContact CB-CE1 3.88Å; M1677-Y1679 HydrophobicContact CB-CE2 4.1Å; M1677-Y1679 HydrophobicContact CG-CE1 4.37Å; M1677-Y1679 PolarHBondContact O-N 3.02Å; M1677-Y1679 VanDerWaalsContact O-N 3.12Å; M1677-Y1679 HydrophobicContact SD-CE1 4.48Å; M1677-N1680 HydrophobicContact CB-CB 4.44Å; M1677-N1680 WeakPolarHBondContact O-CB 3.43Å; M1677-N1680 PolarHBondContact O-N 3.27Å
1678P79.5Confident82Confident101 Ų10161.9 Ų61.966%0.65632%0.324SS*.G310 helixtrans-56.4-36.3-171.5-28.735.2000115.2N1680 S1681P1678-N1680 VanDerWaalsContact C-N 3.3Å; P1678-N1680 PolarHBondContact O-N 2.6Å; P1678-S1681 VanDerWaalsContact O-CB 3.27Å; P1678-S1681 WeakPolarHBondContact O-CB 3.37Å; P1678-S1681 PolarHBondContact O-N 2.81Å; P1678-S1681 PolarHBondContact O-OG 3.02Å
1679Y82.1Confident81.5Confident54 Ų5464.5 Ų64.521%0.21233%0.334CS..G310 helixtrans-76.1-13.1179.957.4-99.7000114C1672 M1677 S1681C1672-Y1679 WeakPolarHBondContact CA-OH 3.29Å; C1672-Y1679 VanDerWaalsContact CB-OH 3.27Å; C1672-Y1679 WeakPolarHBondContact CB-OH 3.34Å; C1672-Y1679 PolarHBondContact O-OH 3.5Å; C1672-Y1679 PolarHBondContact SG-OH 3.42Å; M1677-Y1679 VanDerWaalsContact C-N 3.29Å; M1677-Y1679 HydrophobicContact CB-CD1 4.45Å; M1677-Y1679 HydrophobicContact CB-CE1 3.88Å; M1677-Y1679 HydrophobicContact CB-CE2 4.1Å; M1677-Y1679 HydrophobicContact CG-CE1 4.37Å; M1677-Y1679 PolarHBondContact O-N 3.02Å; M1677-Y1679 VanDerWaalsContact O-N 3.12Å; M1677-Y1679 HydrophobicContact SD-CE1 4.48Å; Y1679-S1681 VanDerWaalsContact C-N 3.33Å
1680N80.1Confident80.7Confident8 Ų872.1 Ų72.14%0.04337%0.372CS..G310 helixtrans-83.1-13.9172.9-71-18000112.3C1672 Q1673 F1674 M1677 P1678 R1685C1672-N1680 PolarHBondContact O-ND2 2.88Å; Q1673-N1680 PolarHBondContact O-ND2 3.4Å; F1674-N1680 PolarHBondContact O-ND2 3.32Å; M1677-N1680 HydrophobicContact CB-CB 4.44Å; M1677-N1680 WeakPolarHBondContact O-CB 3.43Å; M1677-N1680 PolarHBondContact O-N 3.27Å; P1678-N1680 VanDerWaalsContact C-N 3.3Å; P1678-N1680 PolarHBondContact O-N 2.6Å; N1680-R1685 PolarHBondContact O-NH2 3.18Å
1681S78.5Confident80.3Confident41 Ų4175 Ų7529%0.28739%0.387SS..SBendtrans-53.7142.6173.6680000111.5P1678 Y1679 T1683 W1684 R1685P1678-S1681 VanDerWaalsContact O-CB 3.27Å; P1678-S1681 WeakPolarHBondContact O-CB 3.37Å; P1678-S1681 PolarHBondContact O-N 2.81Å; P1678-S1681 PolarHBondContact O-OG 3.02Å; Y1679-S1681 VanDerWaalsContact C-N 3.33Å; S1681-T1683 PolarHBondContact O-N 2.94Å; S1681-T1683 PolarHBondContact OG-OG1 3.14Å; S1681-T1683 VanDerWaalsContact OG-OG1 3.1Å; S1681-W1684 PolarHBondContact O-N 3.22Å; S1681-W1684 WeakPolarHBondContact OG-CB 3.27Å; S1681-W1684 PolarHBondContact OG-N 3.1Å; S1681-R1685 PolarHBondContact O-N 3.43Å
1682I77.4Confident79.7Confident124 Ų12473 Ų7364%0.63638%0.376SS*.Hα-helixtrans-57.4-40.1180-60.3173.5000109.9R1685 T1686I1682-R1685 PolarHBondContact O-N 3Å; I1682-T1686 PolarHBondContact O-N 3.09Å; I1682-T1686 VanDerWaalsContact O-N 3.16Å; I1682-T1686 PolarHBondContact O-OG1 2.96Å
1683T80.3Confident79.3Confident109 Ų10975.8 Ų75.867%0.66939%0.387SS*.Hα-helixtrans-56.7-49.5176.641.70000113.5S1681 R1685 T1686 E1687S1681-T1683 PolarHBondContact O-N 2.94Å; S1681-T1683 PolarHBondContact OG-OG1 3.14Å; S1681-T1683 VanDerWaalsContact OG-OG1 3.1Å; T1683-R1685 PolarHBondContact O-N 2.91Å; T1683-T1686 PolarHBondContact O-N 3.18Å; T1683-E1687 PolarHBondContact O-N 3.06Å
1684W84.4Confident79.1Confident82 Ų8275.7 Ų75.731%0.31139%0.387SS..Hα-helixtrans-63-43.5-179.7178.6-87.3000111.8S1681 T1686 E1687 H1688 D1696S1681-W1684 PolarHBondContact O-N 3.22Å; S1681-W1684 WeakPolarHBondContact OG-CB 3.27Å; S1681-W1684 PolarHBondContact OG-N 3.1Å; W1684-T1686 VanDerWaalsContact C-N 3.35Å; W1684-T1686 PolarHBondContact O-N 3.24Å; W1684-E1687 PolarHBondContact O-N 3.49Å; W1684-H1688 AromaticContact CD2-ND1 3.83Å; W1684-H1688 AromaticContact CE2-ND1 3.84Å; W1684-H1688 AromaticContact CE3-CE1 3.97Å; W1684-H1688 AromaticContact CH2-CE1 3.96Å; W1684-H1688 AromaticContact CZ3-CE1 3.89Å; W1684-H1688 PolarHBondContact O-N 2.87Å; W1684-H1688 VanDerWaalsContact O-N 3.13Å; W1684-H1688 PolarHBondContact O-ND1 3.07Å; W1684-D1696 PolarHBondContact NE1-OD1 2.95Å
1685R79Confident79.1Confident115 Ų11580.2 Ų80.243%0.43441%0.412SS..Hα-helixtrans-63.9-38.8-176.3-162.9-173.9-50.8-173.87.1112.3N1680 S1681 I1682 T1683 Q1689N1680-R1685 PolarHBondContact O-NH2 3.18Å; S1681-R1685 PolarHBondContact O-N 3.43Å; I1682-R1685 PolarHBondContact O-N 3Å; T1683-R1685 PolarHBondContact O-N 2.91Å; R1685-Q1689 PolarHBondContact O-N 3.19Å
1686T80.2Confident79.3Confident95 Ų9579.2 Ų79.258%0.58340%0.4SS*.Hα-helixtrans-69.9-45.5177.9-590000111.8I1682 T1683 W1684 H1688 Q1689I1682-T1686 PolarHBondContact O-N 3.09Å; I1682-T1686 VanDerWaalsContact O-N 3.16Å; I1682-T1686 PolarHBondContact O-OG1 2.96Å; T1683-T1686 PolarHBondContact O-N 3.18Å; W1684-T1686 VanDerWaalsContact C-N 3.35Å; W1684-T1686 PolarHBondContact O-N 3.24Å; T1686-H1688 PolarHBondContact O-N 3.36Å; T1686-Q1689 PolarHBondContact O-N 3.17Å
1687E82.1Confident79.3Confident151 Ų15177.5 Ų77.571%0.70639%0.393SS*.Hα-helixtrans-61.5-44.3-179.4-175.3176.4-156.400112.1T1683 W1684T1683-E1687 PolarHBondContact O-N 3.06Å; W1684-E1687 PolarHBondContact O-N 3.49Å
1688H82.1Confident79.2Confident44 Ų4478 Ų7820%0.20440%0.396CS..THydrogen-bonded Turntrans-93.59.9-174-65.681.2000113.9W1684 T1686 M1690 D1691 K1697W1684-H1688 AromaticContact CD2-ND1 3.83Å; W1684-H1688 AromaticContact CE2-ND1 3.84Å; W1684-H1688 AromaticContact CE3-CE1 3.97Å; W1684-H1688 AromaticContact CH2-CE1 3.96Å; W1684-H1688 AromaticContact CZ3-CE1 3.89Å; W1684-H1688 PolarHBondContact O-N 2.87Å; W1684-H1688 VanDerWaalsContact O-N 3.13Å; W1684-H1688 PolarHBondContact O-ND1 3.07Å; T1686-H1688 PolarHBondContact O-N 3.36Å; H1688-M1690 PolarHBondContact O-N 3.22Å; H1688-D1691 PolarHBondContact O-N 3.19Å; H1688-K1697 PolarHBondContact O-NZ 2.91Å
1689Q75.6Confident79.5Confident138 Ų13877.4 Ų77.465%0.64538%0.383SS*.THydrogen-bonded Turntrans-60.8-42.4-171.5-173.1173-13.900113.8R1685 T1686 K1697R1685-Q1689 PolarHBondContact O-N 3.19Å; T1686-Q1689 PolarHBondContact O-N 3.17Å; Q1689-K1697 PolarHBondContact O-NZ 3.32Å
1690M70.6Confident79.3Confident171 Ų17175.5 Ų75.584%0.84238%0.38SS*.THydrogen-bonded Turntrans-82.9-16.9-177.3-70.6-64.1-166.800114.4H1688 P1692H1688-M1690 PolarHBondContact O-N 3.22Å; M1690-P1692 VanDerWaalsContact O-CD 3.27Å; M1690-P1692 WeakPolarHBondContact O-CD 3.32Å
1691D79Confident79.3Confident63 Ų6375.9 Ų75.934%0.33738%0.383SS..  trans-82.9115.3-178.7-177.112.4000111.4H1688 M1693 S1694 K1697H1688-D1691 PolarHBondContact O-N 3.19Å; D1691-M1693 PolarHBondContact O-N 3.32Å; D1691-M1693 PolarHBondContact OD1-N 2.82Å; D1691-S1694 PolarHBondContact O-OG 2.81Å; D1691-K1697 PolarHBondContact O-NZ 2.7Å
1692P73Confident79.2Confident18 Ų1875.1 Ų75.112%0.11738%0.377CS..THydrogen-bonded Turntrans-72-14.6175.131.2-35.5000113.5M1690 P1918M1690-P1692 VanDerWaalsContact O-CD 3.27Å; M1690-P1692 WeakPolarHBondContact O-CD 3.32Å; P1692-P1918 HydrophobicContact CB-CB 4.22Å
1693M77.9Confident79.2Confident80 Ų8071.3 Ų71.339%0.39436%0.357SS..THydrogen-bonded Turntrans-995.8-176-60.8-64.3-67.500114D1691D1691-M1693 PolarHBondContact O-N 3.32Å; D1691-M1693 PolarHBondContact OD1-N 2.82Å
1694S81.3Confident79Confident6 Ų671.1 Ų71.14%0.04234%0.344CS..  trans-58.4140.3174.338.60000112D1691 D1696 K1697 L1698D1691-S1694 PolarHBondContact O-OG 2.81Å; S1694-D1696 VanDerWaalsContact C-N 3.33Å; S1694-D1696 PolarHBondContact O-N 3.49Å; S1694-K1697 PolarHBondContact O-N 3.39Å; S1694-K1697 VanDerWaalsContact OG-CD 3.29Å; S1694-K1697 WeakPolarHBondContact OG-CD 3.36Å; S1694-K1697 WeakPolarHBondContact OG-CE 3.22Å; S1694-K1697 PolarHBondContact OG-NZ 3.38Å; S1694-L1698 WeakPolarHBondContact O-CB 3.21Å; S1694-L1698 PolarHBondContact O-N 3.23Å
1695L82.2Confident78.4Confident110 Ų11074 Ų7458%0.57637%0.365SS*.Hα-helixtrans-58.6-39.4-168.7-70.1175000113.5K1697 L1698 F1699L1695-K1697 VanDerWaalsContact C-N 3.34Å; L1695-K1697 PolarHBondContact O-N 3.41Å; L1695-L1698 PolarHBondContact O-N 3.32Å; L1695-F1699 HydrophobicContact CD2-CE2 4.4Å; L1695-F1699 WeakPolarHBondContact O-CD2 3.39Å; L1695-F1699 PolarHBondContact O-N 2.99Å
1696D80.4Confident78.3Confident23 Ų2372.7 Ų72.712%0.12337%0.374CS..Hα-helixtrans-65.7-35.1178.561.8-70.2000112.3W1684 S1694 G1700 V1701 S1702W1684-D1696 PolarHBondContact NE1-OD1 2.95Å; S1694-D1696 VanDerWaalsContact C-N 3.33Å; S1694-D1696 PolarHBondContact O-N 3.49Å; D1696-G1700 PolarHBondContact O-N 3.48Å; D1696-G1700 VanDerWaalsContact O-N 3.12Å; D1696-V1701 PolarHBondContact O-N 3.02Å; D1696-S1702 PolarHBondContact O-N 3.11Å
1697K77.9Confident78.1Confident54 Ų5469.6 Ų69.624%0.23535%0.352CS..Hα-helixtrans-78.1-41.2175.1-61.2-176.9-160.7151.70112H1688 Q1689 D1691 S1694 L1695 F1699 G1700H1688-K1697 PolarHBondContact O-NZ 2.91Å; Q1689-K1697 PolarHBondContact O-NZ 3.32Å; D1691-K1697 PolarHBondContact O-NZ 2.7Å; S1694-K1697 PolarHBondContact O-N 3.39Å; S1694-K1697 VanDerWaalsContact OG-CD 3.29Å; S1694-K1697 WeakPolarHBondContact OG-CD 3.36Å; S1694-K1697 WeakPolarHBondContact OG-CE 3.22Å; S1694-K1697 PolarHBondContact OG-NZ 3.38Å; L1695-K1697 VanDerWaalsContact C-N 3.34Å; L1695-K1697 PolarHBondContact O-N 3.41Å; K1697-F1699 PolarHBondContact O-N 2.86Å; K1697-G1700 PolarHBondContact O-N 3.3Å; K1697-G1700 VanDerWaalsContact O-N 3.16Å
1698L80.6Confident77.9Confident50 Ų5062.5 Ų62.526%0.26232%0.319SS..Hα-helixtrans-61.9-43.6179.3-177.965000111.5G1629 L1630 S1694 L1695 L1915G1629-L1698 CarbonylContact C-O 3.5Å; L1630-L1698 WeakPolarHBondContact CB-O 3.48Å; L1630-L1698 PolarHBondContact N-O 2.81Å; S1694-L1698 WeakPolarHBondContact O-CB 3.21Å; S1694-L1698 PolarHBondContact O-N 3.23Å; L1695-L1698 PolarHBondContact O-N 3.32Å; L1698-L1915 HydrophobicContact CD1-CD2 4.41Å
1699F84.4Confident77.9Confident90 Ų9064.7 Ų64.740%0.39533%0.332SS..Hα-helixtrans-78-23173.9-76.4-69.4000113.3L1630 I1631 L1695 K1697 V1701L1630-F1699 HydrophobicContact CB-CD1 4.28Å; L1630-F1699 HydrophobicContact CD2-CD1 4.44Å; L1630-F1699 HydrophobicContact CD2-CE1 4.08Å; I1631-F1699 WeakPolarHBondContact CB-O 3.37Å; I1631-F1699 HydrophobicContact CD1-CB 4.08Å; I1631-F1699 HydrophobicContact CD1-CD1 4.34Å; I1631-F1699 HydrophobicContact CG1-CB 4.2Å; I1631-F1699 HydrophobicContact CG1-CD1 3.95Å; I1631-F1699 WeakPolarHBondContact CG1-O 3.38Å; I1631-F1699 PolarHBondContact N-O 2.87Å; L1695-F1699 HydrophobicContact CD2-CE2 4.4Å; L1695-F1699 WeakPolarHBondContact O-CD2 3.39Å; L1695-F1699 PolarHBondContact O-N 2.99Å; K1697-F1699 PolarHBondContact O-N 2.86Å; F1699-V1701 HydrophobicContact CB-CG2 3.85Å
1700G77.6Confident78.5Confident14 Ų1462.2 Ų62.214%0.14432%0.317CS..THydrogen-bonded Turntrans83.136.4-178.700000113.7D1696 K1697D1696-G1700 PolarHBondContact O-N 3.48Å; D1696-G1700 VanDerWaalsContact O-N 3.12Å; K1697-G1700 PolarHBondContact O-N 3.3Å; K1697-G1700 VanDerWaalsContact O-N 3.16Å
1701V80.6Confident79.3Confident16 Ų1654.1 Ų54.110%0.09728%0.277CS..  trans-114.6-3.9-169.4-176.70000112.7I1631 C1672 D1696 F1699I1631-V1701 HydrophobicContact CD1-CG2 3.51Å; C1672-V1701 HydrophobicContact CB-CG1 3.33Å; D1696-V1701 PolarHBondContact O-N 3.02Å; F1699-V1701 HydrophobicContact CB-CG2 3.85Å
1702S76.5Confident79.7Confident24 Ų2452.1 Ų52.117%0.16827%0.266CS..  trans-47.8136.8176.166.50000113.7D1696 R1704D1696-S1702 PolarHBondContact O-N 3.11Å; S1702-R1704 PolarHBondContact O-N 3.31Å
1703Q77.4Confident80.4Confident45 Ų4553.7 Ų53.721%0.2128%0.275CS..  trans-57.2128.5175.5-170.8-179-500112E1292 Q1673E1292-Q1703 PolarHBondContact OE1-NE2 2.84Å; Q1673-Q1703 VanDerWaalsContact OE1-CA 3.3Å
1704R75.7Confident81.1Confident105 Ų10549.9 Ų49.940%0.39626%0.257SS..  trans-151.9139.1178-66.6-173.9-175-176.72111.3Q1673 S1702 S1706 F1707 I1926Q1673-R1704 VanDerWaalsContact OE1-N 3.12Å; S1702-R1704 PolarHBondContact O-N 3.31Å; R1704-S1706 PolarHBondContact O-N 2.91Å; R1704-F1707 HydrophobicContact CB-CB 4.44Å; R1704-F1707 WeakPolarHBondContact O-CB 3.47Å; R1704-F1707 PolarHBondContact O-N 3.23Å; R1704-F1707 VanDerWaalsContact O-N 3.11Å; R1704-I1926 VanDerWaalsContact NH2-CD1 3.33Å
1705D73.4Confident81.5Confident141 Ų14149.7 Ų49.775%0.75426%0.255SS*.THydrogen-bonded Turntrans-49.6-32.4177.1-59.940.5000114.3K1294K1294-D1705 IonicContact NZ-OD2 3.8Å
1706S75.4Confident81.8Confident88 Ų8846.9 Ų46.962%0.61524%0.238SC*.THydrogen-bonded Turntrans-119.338.4-177.3-61.80000113R1704 A1708R1704-S1706 PolarHBondContact O-N 2.91Å; S1706-A1708 VanDerWaalsContact C-N 3.3Å; S1706-A1708 PolarHBondContact O-N 2.87Å; S1706-A1708 VanDerWaalsContact O-N 3.16Å
1707F77.2Confident82.2Confident31 Ų3146.4 Ų46.414%0.13624%0.237CC..THydrogen-bonded Turntrans-56-31-169.567.5-87.4000116.4K1669 F1670 Q1673 R1704K1669-F1707 HydrophobicContact CB-CD2 3.82Å; K1669-F1707 HydrophobicContact CB-CE2 4.15Å; F1670-F1707 HydrophobicContact CB-CE2 4.28Å; F1670-F1707 HydrophobicContact CB-CZ 4.41Å; F1670-F1707 HydrophobicContact CD2-CZ 4.13Å; Q1673-F1707 HydrophobicContact CG-CD1 3.61Å; Q1673-F1707 HydrophobicContact CG-CD2 4.02Å; Q1673-F1707 HydrophobicContact CG-CE1 3.7Å; Q1673-F1707 HydrophobicContact CG-CE2 4.08Å; Q1673-F1707 HydrophobicContact CG-CG 3.78Å; Q1673-F1707 HydrophobicContact CG-CZ 3.94Å; R1704-F1707 HydrophobicContact CB-CB 4.44Å; R1704-F1707 WeakPolarHBondContact O-CB 3.47Å; R1704-F1707 PolarHBondContact O-N 3.23Å; R1704-F1707 VanDerWaalsContact O-N 3.11Å
1708A77.8Confident82.8Confident2 Ų244 Ų442%0.01723%0.226CC..THydrogen-bonded Turntrans-115.41.5-172.400000115.8S1706 W1710 D1711 I1712S1706-A1708 VanDerWaalsContact C-N 3.3Å; S1706-A1708 PolarHBondContact O-N 2.87Å; S1706-A1708 VanDerWaalsContact O-N 3.16Å; A1708-W1710 PolarHBondContact O-N 3.29Å; A1708-D1711 WeakPolarHBondContact CA-OD2 3.14Å; A1708-D1711 WeakPolarHBondContact O-CB 3.39Å; A1708-D1711 PolarHBondContact O-N 2.9Å; A1708-I1712 HydrophobicContact CB-CD1 3.83Å; A1708-I1712 HydrophobicContact CB-CG1 4.32Å; A1708-I1712 WeakPolarHBondContact O-CD1 3.33Å; A1708-I1712 VanDerWaalsContact O-CG1 3.32Å; A1708-I1712 WeakPolarHBondContact O-CG1 3.34Å; A1708-I1712 PolarHBondContact O-N 2.83Å
1709L82Confident83.2Confident90 Ų9042 Ų4247%0.47122%0.215SC..Hα-helixtrans-56.3-45-167.9-176.6149.3000113.2I1712 V1713L1709-I1712 PolarHBondContact O-N 3.25Å; L1709-V1713 HydrophobicContact CD2-CG2 4.35Å; L1709-V1713 WeakPolarHBondContact O-CG2 3.38Å; L1709-V1713 PolarHBondContact O-N 2.85Å
1710W87.6Confident83.4Confident86 Ų8641.6 Ų41.633%0.32621%0.214SC..Hα-helixtrans-71.2-34.5178.6-68.7103.8000112.7F1619 M1622 M1626 A1708 I1712 V1713 L1714F1619-W1710 HydrophobicContact CD1-CZ3 4.48Å; M1622-W1710 HydrophobicContact CB-CE3 4.29Å; M1622-W1710 HydrophobicContact CB-CZ3 4.39Å; M1626-W1710 HydrophobicContact CB-CG 4.3Å; M1626-W1710 HydrophobicContact CE-CZ2 4.4Å; M1626-W1710 HydrophobicContact CG-CD2 4.31Å; M1626-W1710 HydrophobicContact CG-CG 4.32Å; M1626-W1710 HydrophobicContact CG-CZ2 4.35Å; A1708-W1710 PolarHBondContact O-N 3.29Å; W1710-I1712 VanDerWaalsContact C-N 3.3Å; W1710-I1712 PolarHBondContact O-N 2.9Å; W1710-V1713 PolarHBondContact O-N 3.46Å; W1710-L1714 WeakPolarHBondContact O-CB 3.46Å; W1710-L1714 PolarHBondContact O-N 3.26Å
1711D87.6Confident83.9Confident1 Ų141.4 Ų41.41%0.00521%0.209CC..Hα-helixtrans-64.6-36173.6-47.2-89.3000111.1T1623 I1666 K1669 A1708 L1714 L1715T1623-D1711 WeakPolarHBondContact CG2-OD1 3.4Å; I1666-D1711 HydrophobicContact CD1-CB 4.11Å; I1666-D1711 HydrophobicContact CG1-CB 3.71Å; K1669-D1711 IonicContact NZ-OD1 2.72Å; K1669-D1711 PolarHBondContact NZ-OD1 2.89Å; K1669-D1711 IonicContact NZ-OD2 3.05Å; K1669-D1711 PolarHBondContact NZ-OD2 3.43Å; A1708-D1711 WeakPolarHBondContact CA-OD2 3.14Å; A1708-D1711 WeakPolarHBondContact O-CB 3.39Å; A1708-D1711 PolarHBondContact O-N 2.9Å; D1711-L1714 PolarHBondContact O-N 3.33Å; D1711-L1715 VanDerWaalsContact O-CB 3.3Å; D1711-L1715 WeakPolarHBondContact O-CB 3.17Å; D1711-L1715 PolarHBondContact O-N 3.5Å
1712I87.3Confident84.3Confident21 Ų2141.3 Ų41.311%0.10821%0.207CC..Hα-helixtrans-71.6-40.7176.2-65152.6000111.6L1177 I1181 I1666 A1708 L1709 W1710 L1714 L1715 F1716L1177-I1712 HydrophobicContact CD2-CG2 4.27Å; I1181-I1712 HydrophobicContact CD1-CD1 3.34Å; I1181-I1712 HydrophobicContact CD1-CG1 4.19Å; I1181-I1712 HydrophobicContact CG1-CD1 3.89Å; I1181-I1712 HydrophobicContact CG2-CD1 4.18Å; I1666-I1712 HydrophobicContact CD1-CG1 4.26Å; A1708-I1712 HydrophobicContact CB-CD1 3.83Å; A1708-I1712 HydrophobicContact CB-CG1 4.32Å; A1708-I1712 WeakPolarHBondContact O-CD1 3.33Å; A1708-I1712 VanDerWaalsContact O-CG1 3.32Å; A1708-I1712 WeakPolarHBondContact O-CG1 3.34Å; A1708-I1712 PolarHBondContact O-N 2.83Å; L1709-I1712 PolarHBondContact O-N 3.25Å; W1710-I1712 VanDerWaalsContact C-N 3.3Å; W1710-I1712 PolarHBondContact O-N 2.9Å; I1712-L1714 VanDerWaalsContact C-N 3.32Å; I1712-L1715 WeakPolarHBondContact O-CB 3.35Å; I1712-L1715 PolarHBondContact O-N 3.09Å; I1712-F1716 HydrophobicContact CG2-CD2 3.74Å; I1712-F1716 HydrophobicContact CG2-CE2 3.41Å; I1712-F1716 VanDerWaalsContact CG2-CE2 3.41Å; I1712-F1716 HydrophobicContact CG2-CZ 4.39Å; I1712-F1716 VanDerWaalsContact O-CD2 3.27Å; I1712-F1716 WeakPolarHBondContact O-CD2 3.43Å; I1712-F1716 PolarHBondContact O-N 3.39Å
1713V88.1Confident84.7Confident51 Ų5141.4 Ų41.431%0.30920%0.204SC..Hα-helixtrans-62.4-42.3172.71710000110.5F1619 L1709 W1710 F1716 S1717F1619-V1713 HydrophobicContact CD1-CG1 3.83Å; F1619-V1713 HydrophobicContact CD2-CG1 4.42Å; F1619-V1713 HydrophobicContact CE1-CG1 3.74Å; F1619-V1713 HydrophobicContact CE2-CG1 4.33Å; F1619-V1713 HydrophobicContact CG-CG1 4.2Å; F1619-V1713 HydrophobicContact CZ-CG1 4Å; L1709-V1713 HydrophobicContact CD2-CG2 4.35Å; L1709-V1713 WeakPolarHBondContact O-CG2 3.38Å; L1709-V1713 PolarHBondContact O-N 2.85Å; W1710-V1713 PolarHBondContact O-N 3.46Å; V1713-F1716 PolarHBondContact O-N 3.01Å; V1713-S1717 WeakPolarHBondContact O-CB 3.4Å; V1713-S1717 PolarHBondContact O-N 2.79Å
1714L91.2Very high85.1Confident0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-62.9-43.6173.2-179.359.4000111.4F1619 A1620 L1635 M1658 T1662 W1710 D1711 I1712 F1716 S1717 L1718F1619-L1714 HydrophobicContact CB-CB 4.36Å; F1619-L1714 HydrophobicContact CB-CD1 3.79Å; A1620-L1714 HydrophobicContact CB-CD1 4.43Å; A1620-L1714 HydrophobicContact CB-CD2 4.49Å; L1635-L1714 HydrophobicContact CD1-CD2 4.01Å; L1635-L1714 HydrophobicContact CD2-CD2 4.45Å; M1658-L1714 HydrophobicContact CE-CD1 4.02Å; T1662-L1714 HydrophobicContact CG2-CD2 3.59Å; T1662-L1714 HydrophobicContact CG2-CG 4.02Å; W1710-L1714 WeakPolarHBondContact O-CB 3.46Å; W1710-L1714 PolarHBondContact O-N 3.26Å; D1711-L1714 PolarHBondContact O-N 3.33Å; I1712-L1714 VanDerWaalsContact C-N 3.32Å; L1714-F1716 PolarHBondContact O-N 3.22Å; L1714-S1717 WeakPolarHBondContact O-CB 3.42Å; L1714-S1717 PolarHBondContact O-N 3.06Å; L1714-L1718 HydrophobicContact CD1-CD1 4.18Å; L1714-L1718 HydrophobicContact CD1-CG 4.24Å; L1714-L1718 HydrophobicContact CG-CD1 3.96Å; L1714-L1718 HydrophobicContact CG-CG 4.48Å; L1714-L1718 WeakPolarHBondContact O-CB 3.49Å; L1714-L1718 VanDerWaalsContact O-CG 3.25Å; L1714-L1718 WeakPolarHBondContact O-CG 3.39Å; L1714-L1718 PolarHBondContact O-N 3.21Å
1715L90.7Very high85.4Confident1 Ų136 Ų361%0.00518%0.184CC..Hα-helixtrans-57.1-49.1175.7-171.571.4000111.1L1196 L1199 E1663 I1666 D1711 I1712 L1718 F1719L1196-L1715 HydrophobicContact CD2-CD2 3.96Å; L1199-L1715 HydrophobicContact CD2-CD2 4.44Å; E1663-L1715 HydrophobicContact CG-CD1 3.67Å; I1666-L1715 HydrophobicContact CD1-CB 4.24Å; I1666-L1715 HydrophobicContact CD1-CD2 3.88Å; I1666-L1715 HydrophobicContact CD1-CG 4.47Å; D1711-L1715 VanDerWaalsContact O-CB 3.3Å; D1711-L1715 WeakPolarHBondContact O-CB 3.17Å; D1711-L1715 PolarHBondContact O-N 3.5Å; I1712-L1715 WeakPolarHBondContact O-CB 3.35Å; I1712-L1715 PolarHBondContact O-N 3.09Å; L1715-L1718 PolarHBondContact O-N 3.28Å; L1715-F1719 HydrophobicContact CD1-CD2 4.04Å; L1715-F1719 HydrophobicContact CD1-CE2 3.78Å; L1715-F1719 HydrophobicContact CG-CD2 3.97Å; L1715-F1719 HydrophobicContact CG-CE2 4.06Å; L1715-F1719 WeakPolarHBondContact O-CD2 3.44Å; L1715-F1719 PolarHBondContact O-N 2.93Å
1716F87.9Confident85.7Confident51 Ų5133.2 Ų33.222%0.22416%0.163CC..Hα-helixtrans-69.2-33.1177.4-69.6-49000113.6M1174 L1177 L1199 I1712 V1713 L1714 L1718 F1719 F1720M1174-F1716 HydrophobicContact CE-CD1 3.97Å; M1174-F1716 HydrophobicContact CE-CE1 3.2Å; M1174-F1716 HydrophobicContact CE-CE2 4.23Å; M1174-F1716 HydrophobicContact CE-CZ 3.33Å; M1174-F1716 HydrophobicContact SD-CD1 3.86Å; M1174-F1716 HydrophobicContact SD-CD2 3.97Å; M1174-F1716 HydrophobicContact SD-CE1 3.47Å; M1174-F1716 WeakPolarHBondContact SD-CE1 3.42Å; M1174-F1716 HydrophobicContact SD-CE2 3.52Å; M1174-F1716 VanDerWaalsContact SD-CE2 3.52Å; M1174-F1716 HydrophobicContact SD-CG 4.13Å; M1174-F1716 HydrophobicContact SD-CZ 3.26Å; M1174-F1716 WeakPolarHBondContact SD-CZ 3.31Å; L1177-F1716 HydrophobicContact CD2-CE2 3.91Å; L1177-F1716 HydrophobicContact CD2-CZ 3.45Å; L1177-F1716 VanDerWaalsContact CD2-CZ 3.45Å; L1199-F1716 HydrophobicContact CD1-CE1 4.04Å; L1199-F1716 HydrophobicContact CD2-CE1 3.92Å; I1712-F1716 HydrophobicContact CG2-CD2 3.74Å; I1712-F1716 HydrophobicContact CG2-CE2 3.41Å; I1712-F1716 VanDerWaalsContact CG2-CE2 3.41Å; I1712-F1716 HydrophobicContact CG2-CZ 4.39Å; I1712-F1716 VanDerWaalsContact O-CD2 3.27Å; I1712-F1716 WeakPolarHBondContact O-CD2 3.43Å; I1712-F1716 PolarHBondContact O-N 3.39Å; V1713-F1716 PolarHBondContact O-N 3.01Å; L1714-F1716 PolarHBondContact O-N 3.22Å; F1716-L1718 VanDerWaalsContact C-N 3.35Å; F1716-F1719 PolarHBondContact O-N 3.27Å; F1716-F1720 WeakPolarHBondContact O-CB 3.32Å; F1716-F1720 PolarHBondContact O-N 3.26Å
1717S89Confident85.9Confident14 Ų1432.4 Ų32.410%0.09815%0.148CC..Hα-helixtrans-61.5-43.9170.5-170.10000111.3C1616 F1619 V1713 L1714 F1720 H1721C1616-S1717 PolarHBondContact SG-OG 2.95Å; C1616-S1717 VanDerWaalsContact SG-OG 3.41Å; F1619-S1717 WeakPolarHBondContact CD2-OG 3.46Å; V1713-S1717 WeakPolarHBondContact O-CB 3.4Å; V1713-S1717 PolarHBondContact O-N 2.79Å; L1714-S1717 WeakPolarHBondContact O-CB 3.42Å; L1714-S1717 PolarHBondContact O-N 3.06Å; S1717-F1720 PolarHBondContact O-N 3.4Å; S1717-H1721 WeakPolarHBondContact O-CB 3.22Å; S1717-H1721 PolarHBondContact O-N 3.36Å
1718L90.9Very high85.9Confident2 Ų232.1 Ų32.11%0.0115%0.148CC..Hα-helixtrans-67.9-40.4177-70.3165.9000112.8C1616 W1655 M1658 I1659 T1662 L1714 L1715 F1716 H1721 R1722C1616-L1718 HydrophobicContact CB-CD2 4.21Å; W1655-L1718 HydrophobicContact CE3-CD2 3.71Å; W1655-L1718 HydrophobicContact CZ3-CD2 3.76Å; M1658-L1718 HydrophobicContact CB-CD2 4.42Å; M1658-L1718 HydrophobicContact CE-CD1 4.49Å; M1658-L1718 HydrophobicContact CE-CD2 3.99Å; M1658-L1718 HydrophobicContact CG-CD1 4Å; M1658-L1718 HydrophobicContact CG-CD2 3.92Å; M1658-L1718 HydrophobicContact SD-CD2 3.73Å; I1659-L1718 HydrophobicContact CD1-CB 4.36Å; I1659-L1718 HydrophobicContact CG1-CB 3.72Å; I1659-L1718 HydrophobicContact CG1-CD1 4.19Å; I1659-L1718 HydrophobicContact CG1-CG 4.37Å; T1662-L1718 HydrophobicContact CG2-CD1 4.01Å; L1714-L1718 HydrophobicContact CD1-CD1 4.18Å; L1714-L1718 HydrophobicContact CD1-CG 4.24Å; L1714-L1718 HydrophobicContact CG-CD1 3.96Å; L1714-L1718 HydrophobicContact CG-CG 4.48Å; L1714-L1718 WeakPolarHBondContact O-CB 3.49Å; L1714-L1718 VanDerWaalsContact O-CG 3.25Å; L1714-L1718 WeakPolarHBondContact O-CG 3.39Å; L1714-L1718 PolarHBondContact O-N 3.21Å; L1715-L1718 PolarHBondContact O-N 3.28Å; F1716-L1718 VanDerWaalsContact C-N 3.35Å; L1718-H1721 PolarHBondContact O-N 3.22Å; L1718-R1722 VanDerWaalsContact O-CB 3.24Å; L1718-R1722 WeakPolarHBondContact O-CB 3.49Å; L1718-R1722 PolarHBondContact O-N 2.72Å
1719F88.8Confident85.6Confident8 Ų832.3 Ų32.34%0.03515%0.15CC..Hα-helixtrans-67.8-35.4173.3-89.7-81.1000112.2L1199 W1200 I1659 E1663 L1715 F1716 R1722 Y1723L1199-F1719 HydrophobicContact CB-CZ 4.48Å; L1199-F1719 HydrophobicContact CD2-CD1 4.33Å; L1199-F1719 HydrophobicContact CD2-CD2 3.57Å; L1199-F1719 HydrophobicContact CD2-CE1 4.27Å; L1199-F1719 HydrophobicContact CD2-CE2 3.5Å; L1199-F1719 VanDerWaalsContact CD2-CE2 3.5Å; L1199-F1719 HydrophobicContact CD2-CG 4Å; L1199-F1719 HydrophobicContact CD2-CZ 3.87Å; L1199-F1719 HydrophobicContact CG-CD1 3.98Å; L1199-F1719 HydrophobicContact CG-CD2 4.13Å; L1199-F1719 HydrophobicContact CG-CE1 3.92Å; L1199-F1719 HydrophobicContact CG-CE2 4.08Å; L1199-F1719 HydrophobicContact CG-CG 4.09Å; L1199-F1719 HydrophobicContact CG-CZ 3.97Å; L1199-F1719 WeakPolarHBondContact O-CE1 3.35Å; W1200-F1719 HydrophobicContact CE3-CZ 4.37Å; I1659-F1719 HydrophobicContact CG2-CE2 4.13Å; I1659-F1719 HydrophobicContact CG2-CZ 4.33Å; E1663-F1719 WeakPolarHBondContact OE1-CE2 3.45Å; E1663-F1719 WeakPolarHBondContact OE1-CZ 3.04Å; L1715-F1719 HydrophobicContact CD1-CD2 4.04Å; L1715-F1719 HydrophobicContact CD1-CE2 3.78Å; L1715-F1719 HydrophobicContact CG-CD2 3.97Å; L1715-F1719 HydrophobicContact CG-CE2 4.06Å; L1715-F1719 WeakPolarHBondContact O-CD2 3.44Å; L1715-F1719 PolarHBondContact O-N 2.93Å; F1716-F1719 PolarHBondContact O-N 3.27Å; F1719-R1722 PolarHBondContact O-N 3.48Å; F1719-Y1723 WeakPolarHBondContact O-CB 3.29Å; F1719-Y1723 PolarHBondContact O-N 3.2Å
1720F87.7Confident85.3Confident83 Ų8329.3 Ų29.336%0.36413%0.134SC..Hα-helixtrans-67.5-43.7172.5-178.2-110.6000111.7I1608 T1612 F1716 S1717 Y1723 M1724I1608-F1720 HydrophobicContact CG2-CE1 4.27Å; T1612-F1720 HydrophobicContact CG2-CD1 3.75Å; T1612-F1720 HydrophobicContact CG2-CE1 3.49Å; T1612-F1720 VanDerWaalsContact CG2-CE1 3.49Å; F1716-F1720 WeakPolarHBondContact O-CB 3.32Å; F1716-F1720 PolarHBondContact O-N 3.26Å; S1717-F1720 PolarHBondContact O-N 3.4Å; F1720-Y1723 HydrophobicContact CD2-CD1 4.16Å; F1720-Y1723 HydrophobicContact CE2-CD1 4.27Å; F1720-Y1723 WeakPolarHBondContact O-CB 3.33Å; F1720-Y1723 PolarHBondContact O-N 2.82Å; F1720-M1724 HydrophobicContact CD1-CG 4.43Å; F1720-M1724 HydrophobicContact CE1-CG 4.07Å; F1720-M1724 HydrophobicContact CE2-CG 4.17Å; F1720-M1724 HydrophobicContact CE2-SD 4.33Å; F1720-M1724 HydrophobicContact CZ-CG 3.92Å; F1720-M1724 HydrophobicContact CZ-SD 4.17Å; F1720-M1724 WeakPolarHBondContact O-CG 3.38Å; F1720-M1724 PolarHBondContact O-N 2.87Å
1721H90Very high84.8Confident9 Ų926.7 Ų26.74%0.04212%0.124CC..Hα-helixtrans-61-45.5172.9-176.165.4000111.2T1612 W1655 S1717 L1718 Y1723 M1724 L1725T1612-H1721 WeakPolarHBondContact CB-ND1 3.35Å; T1612-H1721 PolarHBondContact OG1-ND1 2.88Å; W1655-H1721 AromaticContact CD2-CD2 3.59Å; W1655-H1721 AromaticContact CD2-NE2 3.69Å; W1655-H1721 AromaticContact CE2-CD2 3.59Å; W1655-H1721 AromaticContact CE2-NE2 3.16Å; W1655-H1721 AromaticContact CE3-CD2 3.69Å; W1655-H1721 AromaticContact CH2-CD2 3.82Å; W1655-H1721 AromaticContact CH2-NE2 3.73Å; W1655-H1721 AromaticContact CZ2-CD2 3.73Å; W1655-H1721 AromaticContact CZ2-CE1 3.99Å; W1655-H1721 AromaticContact CZ2-NE2 3.2Å; W1655-H1721 WeakPolarHBondContact CZ2-NE2 3.38Å; W1655-H1721 AromaticContact CZ3-CD2 3.8Å; W1655-H1721 AromaticContact NE1-NE2 3.53Å; S1717-H1721 WeakPolarHBondContact O-CB 3.22Å; S1717-H1721 PolarHBondContact O-N 3.36Å; L1718-H1721 PolarHBondContact O-N 3.22Å; H1721-Y1723 VanDerWaalsContact C-N 3.32Å; H1721-Y1723 PolarHBondContact O-N 3Å; H1721-M1724 PolarHBondContact O-N 3.31Å; H1721-L1725 VanDerWaalsContact NE2-CD1 3.31Å; H1721-L1725 WeakPolarHBondContact NE2-CD1 3.3Å; H1721-L1725 WeakPolarHBondContact O-CB 3.23Å; H1721-L1725 WeakPolarHBondContact O-CG 3.33Å; H1721-L1725 PolarHBondContact O-N 2.95Å
1722R88.6Confident83.8Confident15 Ų1534 Ų346%0.05716%0.156CC..Hα-helixtrans-58.8-39172.2172.9176.9162.2173.1-3.7112.4W1200 I1659 L1718 F1719 R1726 W1731W1200-R1722 PolarHBondContact O-NH2 3.17Å; I1659-R1722 HydrophobicContact CD1-CB 4.37Å; L1718-R1722 VanDerWaalsContact O-CB 3.24Å; L1718-R1722 WeakPolarHBondContact O-CB 3.49Å; L1718-R1722 PolarHBondContact O-N 2.72Å; F1719-R1722 PolarHBondContact O-N 3.48Å; R1722-R1726 WeakPolarHBondContact O-CB 3.5Å; R1722-R1726 VanDerWaalsContact O-CG 3.24Å; R1722-R1726 WeakPolarHBondContact O-CG 3.4Å; R1722-R1726 PolarHBondContact O-N 3.19Å; R1722-W1731 HydrophobicContact CB-CE3 4.42Å; R1722-W1731 HydrophobicContact CB-CH2 4.47Å; R1722-W1731 HydrophobicContact CB-CZ3 4.01Å; R1722-W1731 HydrophobicContact CG-CE3 4.15Å; R1722-W1731 HydrophobicContact CG-CH2 4.05Å; R1722-W1731 HydrophobicContact CG-CZ2 4.4Å; R1722-W1731 HydrophobicContact CG-CZ3 3.91Å
1723Y85.4Confident82.3Confident26 Ų2638.2 Ų38.210%0.10218%0.179CC..Hα-helixtrans-65.2-47173.8166.2-118.8000111.4N1203 F1719 F1720 H1721 R1726 K1727N1203-Y1723 WeakPolarHBondContact ND2-CE2 3.39Å; F1719-Y1723 WeakPolarHBondContact O-CB 3.29Å; F1719-Y1723 PolarHBondContact O-N 3.2Å; F1720-Y1723 HydrophobicContact CD2-CD1 4.16Å; F1720-Y1723 HydrophobicContact CE2-CD1 4.27Å; F1720-Y1723 WeakPolarHBondContact O-CB 3.33Å; F1720-Y1723 PolarHBondContact O-N 2.82Å; H1721-Y1723 VanDerWaalsContact C-N 3.32Å; H1721-Y1723 PolarHBondContact O-N 3Å; Y1723-R1726 PolarHBondContact O-N 3.43Å; Y1723-K1727 WeakPolarHBondContact O-CB 3.29Å; Y1723-K1727 PolarHBondContact O-N 3.37Å
1724M84.7Confident80.6Confident13 Ų1337.5 Ų37.56%0.06418%0.179CC..Hα-helixtrans-64.4-44.5177.4-68.7-59.3-6900112.3H1530 T1612 F1720 H1721 R1726 K1727 L1728H1530-M1724 WeakPolarHBondContact NE2-CE 3.22Å; T1612-M1724 HydrophobicContact CG2-CG 4.2Å; F1720-M1724 HydrophobicContact CD1-CG 4.43Å; F1720-M1724 HydrophobicContact CE1-CG 4.07Å; F1720-M1724 HydrophobicContact CE2-CG 4.17Å; F1720-M1724 HydrophobicContact CE2-SD 4.33Å; F1720-M1724 HydrophobicContact CZ-CG 3.92Å; F1720-M1724 HydrophobicContact CZ-SD 4.17Å; F1720-M1724 WeakPolarHBondContact O-CG 3.38Å; F1720-M1724 PolarHBondContact O-N 2.87Å; H1721-M1724 PolarHBondContact O-N 3.31Å; M1724-R1726 VanDerWaalsContact C-N 3.27Å; M1724-R1726 PolarHBondContact O-N 3.38Å; M1724-K1727 PolarHBondContact O-N 3.44Å; M1724-K1727 HydrophobicContact SD-CD 4.41Å; M1724-L1728 WeakPolarHBondContact O-CB 3.19Å; M1724-L1728 WeakPolarHBondContact O-CG 3.4Å; M1724-L1728 PolarHBondContact O-N 3.45Å
1725L82.2Confident78.7Confident22 Ų2243.9 Ų43.912%0.11521%0.213CC..Hα-helixtrans-60.4-33.6172.7-71.6-176.6000112.5H1721 G1729 L1730 W1731H1721-L1725 VanDerWaalsContact NE2-CD1 3.31Å; H1721-L1725 WeakPolarHBondContact NE2-CD1 3.3Å; H1721-L1725 WeakPolarHBondContact O-CB 3.23Å; H1721-L1725 WeakPolarHBondContact O-CG 3.33Å; H1721-L1725 PolarHBondContact O-N 2.95Å; L1725-G1729 CarbonylContact O-C 3.59Å; L1725-G1729 WeakPolarHBondContact O-CA 3.41Å; L1725-G1729 PolarHBondContact O-N 2.87Å; L1725-G1729 VanDerWaalsContact O-N 3.08Å; L1725-L1730 HydrophobicContact CB-CB 4.45Å; L1725-L1730 HydrophobicContact CD2-CB 3.64Å; L1725-L1730 HydrophobicContact CD2-CD1 3.95Å; L1725-L1730 HydrophobicContact CD2-CG 4.46Å; L1725-L1730 PolarHBondContact O-N 2.67Å; L1725-W1731 HydrophobicContact CB-CB 4.18Å; L1725-W1731 HydrophobicContact CB-CE3 4.1Å; L1725-W1731 HydrophobicContact CD1-CE3 3.75Å; L1725-W1731 HydrophobicContact CD1-CZ3 4.13Å; L1725-W1731 PolarHBondContact O-N 2.81Å; L1725-W1731 VanDerWaalsContact O-N 3.1Å
1726R80.2Confident76.9Confident84 Ų8449.9 Ų49.932%0.31724%0.244SC..Hα-helixtrans-74.5-43.1174.3-78.5176.6173.1-158.1-0.6112.1R1722 Y1723 M1724 L1728 G1729 W1731R1722-R1726 WeakPolarHBondContact O-CB 3.5Å; R1722-R1726 VanDerWaalsContact O-CG 3.24Å; R1722-R1726 WeakPolarHBondContact O-CG 3.4Å; R1722-R1726 PolarHBondContact O-N 3.19Å; Y1723-R1726 PolarHBondContact O-N 3.43Å; M1724-R1726 VanDerWaalsContact C-N 3.27Å; M1724-R1726 PolarHBondContact O-N 3.38Å; R1726-L1728 VanDerWaalsContact C-N 3.29Å; R1726-L1728 PolarHBondContact O-N 3Å; R1726-G1729 PolarHBondContact O-N 2.87Å; R1726-W1731 HydrophobicContact CG-CB 3.87Å; R1726-W1731 HydrophobicContact CG-CD2 4.49Å; R1726-W1731 HydrophobicContact CG-CG 3.9Å
1727K78.7Confident75.3Confident71 Ų7152.7 Ų52.731%0.30927%0.266SS..Hα-helixtrans-62-34.9178.1-175.5175.6-176.3174.90112.9E1330 Y1723 M1724E1330-K1727 WeakPolarHBondContact OE1-CE 3.47Å; Y1723-K1727 WeakPolarHBondContact O-CB 3.29Å; Y1723-K1727 PolarHBondContact O-N 3.37Å; M1724-K1727 PolarHBondContact O-N 3.44Å; M1724-K1727 HydrophobicContact SD-CD 4.41Å
1728L77.1Confident73.5Confident24 Ų2457.2 Ų57.213%0.12629%0.289CS..THydrogen-bonded Turntrans-91.1-4.5173.9-59.7173.7000113.3A1334 G1337 A1338 V1533 L1537 M1724 R1726 L1730A1334-L1728 CarbonylContact O-C 3.57Å; G1337-L1728 CarbonylContact C-O 3.6Å; G1337-L1728 VanDerWaalsContact C-O 3.32Å; G1337-L1728 WeakPolarHBondContact CA-O 3.47Å; A1338-L1728 PolarHBondContact N-O 2.9Å; A1338-L1728 VanDerWaalsContact N-O 3.08Å; V1533-L1728 HydrophobicContact CG1-CD2 3.84Å; L1537-L1728 HydrophobicContact CD1-CD2 4.07Å; M1724-L1728 WeakPolarHBondContact O-CB 3.19Å; M1724-L1728 WeakPolarHBondContact O-CG 3.4Å; M1724-L1728 PolarHBondContact O-N 3.45Å; R1726-L1728 VanDerWaalsContact C-N 3.29Å; R1726-L1728 PolarHBondContact O-N 3Å; L1728-L1730 HydrophobicContact CB-CD1 3.86Å; L1728-L1730 HydrophobicContact CB-CG 4.04Å; L1728-L1730 HydrophobicContact CD1-CD1 3.96Å; L1728-L1730 PolarHBondContact O-N 2.91Å
1729G71.8Confident72Confident6 Ų658.4 Ų58.46%0.06230%0.296CS..THydrogen-bonded Turntrans67.712.6-177.600000117A1334 L1725 R1726 W1731A1334-G1729 WeakPolarHBondContact O-CA 3.43Å; A1334-G1729 PolarHBondContact O-N 2.91Å; L1725-G1729 CarbonylContact O-C 3.59Å; L1725-G1729 WeakPolarHBondContact O-CA 3.41Å; L1725-G1729 PolarHBondContact O-N 2.87Å; L1725-G1729 VanDerWaalsContact O-N 3.08Å; R1726-G1729 PolarHBondContact O-N 2.87Å; G1729-W1731 PolarHBondContact O-N 3.49Å
1730L75.1Confident70.8Confident27 Ų2760 Ų6014%0.14130%0.303CS..THydrogen-bonded Turntrans-71.3-14.7176.3-62.1164.4000112.9A1338 R1649 L1725 L1728 K1732A1338-L1730 HydrophobicContact CB-CD2 3.77Å; A1338-L1730 HydrophobicContact CB-CG 4.49Å; R1649-L1730 PolarHBondContact NH2-O 2.9Å; R1649-L1730 VanDerWaalsContact NH2-O 3.16Å; L1725-L1730 HydrophobicContact CB-CB 4.45Å; L1725-L1730 HydrophobicContact CD2-CB 3.64Å; L1725-L1730 HydrophobicContact CD2-CD1 3.95Å; L1725-L1730 HydrophobicContact CD2-CG 4.46Å; L1725-L1730 PolarHBondContact O-N 2.67Å; L1728-L1730 HydrophobicContact CB-CD1 3.86Å; L1728-L1730 HydrophobicContact CB-CG 4.04Å; L1728-L1730 HydrophobicContact CD1-CD1 3.96Å; L1728-L1730 PolarHBondContact O-N 2.91Å; L1730-K1732 PolarHBondContact O-N 3.21Å
1731W77.1Confident69.2Low31 Ų3162 Ų6212%0.11732%0.322CS..THydrogen-bonded Turntrans-69.6-20.9-175.3-175.7-96.2000115.8K1652 W1655 V1656 R1722 L1725 R1726 G1729K1652-W1731 HydrophobicContact CG-CZ2 4.27Å; W1655-W1731 HydrophobicContact CB-CH2 4.26Å; W1655-W1731 HydrophobicContact CB-CZ3 4Å; V1656-W1731 HydrophobicContact CG2-CH2 3.84Å; V1656-W1731 HydrophobicContact CG2-CZ2 3.69Å; R1722-W1731 HydrophobicContact CB-CE3 4.42Å; R1722-W1731 HydrophobicContact CB-CH2 4.47Å; R1722-W1731 HydrophobicContact CB-CZ3 4.01Å; R1722-W1731 HydrophobicContact CG-CE3 4.15Å; R1722-W1731 HydrophobicContact CG-CH2 4.05Å; R1722-W1731 HydrophobicContact CG-CZ2 4.4Å; R1722-W1731 HydrophobicContact CG-CZ3 3.91Å; L1725-W1731 HydrophobicContact CB-CB 4.18Å; L1725-W1731 HydrophobicContact CB-CE3 4.1Å; L1725-W1731 HydrophobicContact CD1-CE3 3.75Å; L1725-W1731 HydrophobicContact CD1-CZ3 4.13Å; L1725-W1731 PolarHBondContact O-N 2.81Å; L1725-W1731 VanDerWaalsContact O-N 3.1Å; R1726-W1731 HydrophobicContact CG-CB 3.87Å; R1726-W1731 HydrophobicContact CG-CD2 4.49Å; R1726-W1731 HydrophobicContact CG-CG 3.9Å; G1729-W1731 PolarHBondContact O-N 3.49Å
1732K67.2Low67Low156 Ų15668.1 Ų68.168%0.67835%0.354SS*.SBendtrans-107.9148.8168.3-73.4-172.1176.4-173.50108.3R1649 L1730 A1734R1649-K1732 PolarHBondContact NH2-O 3.17Å; L1730-K1732 PolarHBondContact O-N 3.21Å; K1732-A1734 PolarHBondContact O-N 3.48Å
1733D55.5Low64.5Low108 Ų10876 Ų7658%0.57839%0.389SS*.  trans-72.799.6175.8-59.7-49.7000109R1649 N1735R1649-D1733 IonicContact NH2-OD1 3.73Å; R1649-D1733 PolarHBondContact NH2-OD1 2.93Å; D1733-N1735 PolarHBondContact O-N 3.32Å; D1733-N1735 VanDerWaalsContact O-N 3.14Å
1734A52.5Low62Low37 Ų3782.5 Ų82.531%0.30642%0.42SS..  trans-66.3105.9161.400000106A1338 K1732A1338-A1734 HydrophobicContact CB-CB 4.42Å; K1732-A1734 PolarHBondContact O-N 3.48Å
1735N51.3Low59.4Low134 Ų13489.9 Ų89.972%0.71745%0.454SS*.  trans-57.9148.3-172.1-150.22.7000110.6D1733 T1737D1733-N1735 PolarHBondContact O-N 3.32Å; D1733-N1735 VanDerWaalsContact O-N 3.14Å; N1735-T1737 PolarHBondContact O-N 3.33Å
1736L53.5Low57.1Low127 Ų12794 Ų9467%0.66548%0.482SS*.  trans-73.156.9-162.6-67.1119.6000114.8
1737T53.1Low54.7Low110 Ų110102.4 Ų102.468%0.67551%0.514SS*.  trans-83.8139.3173.356.40000111.1N1735 T1739N1735-T1737 PolarHBondContact O-N 3.33Å; T1737-T1739 PolarHBondContact O-N 3.46Å
1738D52.1Low52.6Low109 Ų109103.8 Ų103.858%0.58353%0.533SS*.  trans-58133.6-179.1-58.8-43000111.7K1822D1738-K1822 IonicContact OD1-NZ 2.98Å; D1738-K1822 PolarHBondContact OD1-NZ 2.82Å
1739T60.2Low50.5Low26 Ų26106.9 Ų106.916%0.1656%0.562CS.*SBendtrans-92.9-16.6-158.118.30000115.8V1339 N1342 Q1343 E1346 T1737V1339-T1739 HydrophobicContact CG1-CG2 4.34Å; N1342-T1739 HydrophobicContact CB-CG2 3.75Å; Q1343-T1739 HydrophobicContact CG-CG2 4.29Å; Q1343-T1739 PolarHBondContact NE2-O 2.9Å; E1346-T1739 PolarHBondContact OE2-OG1 2.98Å; T1737-T1739 PolarHBondContact O-N 3.46Å
1740F61.9Low48.6Very low43 Ų43112.4 Ų112.419%0.18960%0.6CS.*SBendtrans-102.5124.4162.3-61.7-76000107.4Q1343 E1346 L1742Q1343-F1740 HydrophobicContact CB-CE1 4.11Å; Q1343-F1740 HydrophobicContact CB-CE2 4.17Å; Q1343-F1740 HydrophobicContact CB-CZ 3.65Å; Q1343-F1740 HydrophobicContact CG-CD1 4.45Å; Q1343-F1740 HydrophobicContact CG-CE1 3.98Å; Q1343-F1740 HydrophobicContact CG-CE2 4.29Å; Q1343-F1740 HydrophobicContact CG-CZ 3.91Å; Q1343-F1740 WeakPolarHBondContact O-CE2 3.41Å; Q1343-F1740 WeakPolarHBondContact O-CZ 3.39Å; E1346-F1740 HydrophobicContact CB-CE2 4.27Å; E1346-F1740 WeakPolarHBondContact OE2-CD2 3.47Å; F1740-L1742 PolarHBondContact O-N 3.17Å; F1740-L1742 VanDerWaalsContact O-N 3.15Å
1741T54.8Low46.6Very low124 Ų124114.4 Ų114.476%0.76163%0.627SS**  trans-62119.1172.549.20000108.5K1743T1741-K1743 VanDerWaalsContact C-N 3.26Å; T1741-K1743 PolarHBondContact O-N 3.23Å
1742L44.3Very low44.4Very low138 Ų138117.7 Ų117.772%0.72366%0.655SS**  trans-61.985.8176.2-81165.7000110.9F1740 E1744F1740-L1742 PolarHBondContact O-N 3.17Å; F1740-L1742 VanDerWaalsContact O-N 3.15Å; L1742-E1744 VanDerWaalsContact C-N 3.35Å; L1742-E1744 HydrophobicContact CD2-CB 4.5Å; L1742-E1744 HydrophobicContact CD2-CG 4.03Å
1743K34.9Very low42.8Very low181 Ų181117.3 Ų117.379%0.78766%0.66SS**  trans-101.857.9151-81.1-165.7168.8-164.80108.7T1741 E1745T1741-K1743 VanDerWaalsContact C-N 3.26Å; T1741-K1743 PolarHBondContact O-N 3.23Å; K1743-E1745 PolarHBondContact O-N 3.49Å
1744E34.6Very low41.8Very low162 Ų162119.1 Ų119.176%0.75768%0.675SS**  trans-77.785.3155.2-73-172.8161.700107.1L1742L1742-E1744 VanDerWaalsContact C-N 3.35Å; L1742-E1744 HydrophobicContact CD2-CB 4.5Å; L1742-E1744 HydrophobicContact CD2-CG 4.03Å
1745E30.2Very low40.7Very low167 Ų167120.5 Ų120.578%0.7869%0.693SS**  trans-68.2128.2161.6-80.1-175.7176.700108.2K1743K1743-E1745 PolarHBondContact O-N 3.49Å
1746P32.9Very low39.7Very low108 Ų108119.9 Ų119.970%0.70170%0.699SS**  trans-74.6131.7-167.928.7-35000111.6S1748P1746-S1748 VanDerWaalsContact C-N 3.34Å; P1746-S1748 PolarHBondContact O-N 3.28Å
1747R29Very low38.6Very low261 Ų261119.7 Ų119.799%0.98571%0.705SS**  trans-70.891.8160.4-82.5-177.6171166.8-2.4109.4
1748S36.4Very low37.5Very low100 Ų100124.6 Ų124.670%0.69972%0.717SS**  trans-141.1151.8163.255.50000110P1746P1746-S1748 VanDerWaalsContact C-N 3.34Å; P1746-S1748 PolarHBondContact O-N 3.28Å
1749A32.5Very low36.3Very low89 Ų89128.7 Ų128.774%0.73673%0.73SS**  trans-79.4153-164.600000113.8
1750S31Very low34.8Very low123 Ų123135.6 Ų135.686%0.8676%0.764SS**  trans52.5128.9151620000120.7
1751G32.5Very low33.2Very low69 Ų69137 Ų13771%0.71178%0.783SS**  trans116.897.7136.200000117.7
1752S31.2Very low31.9Very low100 Ų100139.7 Ų139.770%0.69979%0.787SS**  trans45.9114140.261.30000121.3
1753D33.5Very low31Very low148 Ų148140.3 Ų140.379%0.79179%0.787SS**  83.9139.9119.6-64-25.2000123.4
1754T34.4Very low30.8Very low146 Ų146137.6 Ų137.690%0.89679%0.787SS**  trans73.1123.1165.165.40000119.1
1755G31.1Very low30.4Very low66 Ų66137.4 Ų137.468%0.6878%0.784SS**  14542106.300000121
1756S30.3Very low30.2Very low121 Ų121136.1 Ų136.185%0.84679%0.787SS**  trans76.3155.3150.782.50000119.7
1757P30.1Very low30Very low122 Ų122135.8 Ų135.879%0.79278%0.783SS**  trans-118.2133.2-159.935.2-18.9000114.1
1758K29.6Very low29.9Very low213 Ų213128.9 Ų128.993%0.92677%0.77SS**  trans-112.8117.7168.6-90.4-179.2175.61750112.7
1759K27.1Very low29.6Very low196 Ų196129.2 Ų129.285%0.85277%0.767SS**  trans-61.9154.4167.9-61.9165.8175173.70111
1760I28.1Very low29.4Very low171 Ų171132.9 Ų132.988%0.87777%0.769SS**  trans140.6133.9152.4-77.7156.3000107.9
1761A29.4Very low29.3Very low71 Ų71131.2 Ų131.259%0.58776%0.758SS**  cis-164.1162.2-23.600000109.3
1762Q27.4Very low29.1Very low181 Ų181134.8 Ų134.885%0.84676%0.76SS**  trans63.9103.5150.2-73.4164.7-8.300120
1763E25.5Very low29.1Very low152 Ų152135.7 Ų135.771%0.7176%0.762SS**  trans-12.6126.3137.4-53.7171.2164.400116.5K1765E1763-K1765 PolarHBondContact O-N 2.83Å; E1763-K1765 VanDerWaalsContact O-N 3.17Å
1764P29.6Very low29Very low123 Ų123135.3 Ų135.380%0.79976%0.759SS**  trans-76.894.2148.631.3-28.9000108.3V1766P1764-V1766 PolarHBondContact O-N 3.04Å; P1764-V1766 VanDerWaalsContact O-N 3.15Å
1765K25.9Very low28.8Very low159 Ų159136.9 Ų136.969%0.69176%0.756SS**  trans-51.6120.6166.6-75.1173.5176.91700109.2E1763 V1767E1763-K1765 PolarHBondContact O-N 2.83Å; E1763-K1765 VanDerWaalsContact O-N 3.17Å; K1765-V1767 HydrophobicContact CB-CG2 3.98Å; K1765-V1767 PolarHBondContact O-N 3.44Å
1766V27.2Very low28.7Very low140 Ų140136.9 Ų136.985%0.84876%0.757SS**  trans-74.380.6168-178.20000108.3P1764 V1768P1764-V1766 PolarHBondContact O-N 3.04Å; P1764-V1766 VanDerWaalsContact O-N 3.15Å; V1766-V1768 PolarHBondContact O-N 2.77Å
1767V28.3Very low28.7Very low100 Ų100137.6 Ų137.661%0.60676%0.756SS**  trans-67127.9177.1176.90000109.3K1765 T1769K1765-V1767 HydrophobicContact CB-CG2 3.98Å; K1765-V1767 PolarHBondContact O-N 3.44Å; V1767-T1769 HydrophobicContact CG1-CG2 4.02Å
1768V25.9Very low28.6Very low117 Ų117137.3 Ų137.371%0.70976%0.757SS**  trans-91.7103.1170.3178.60000108.3V1766V1766-V1768 PolarHBondContact O-N 2.77Å
1769T30.3Very low28.5Very low106 Ų106131.4 Ų131.465%0.6576%0.756SS**  trans-135.7108.4168.233.70000107V1767V1767-T1769 HydrophobicContact CG1-CG2 4.02Å
1770Q28.6Very low28.6Very low167 Ų167125.6 Ų125.678%0.7875%0.752SS**  71.7103.875-75.6-165.1-65.200113.5
1771S28.6Very low28.5Very low88 Ų88125.5 Ų125.562%0.61575%0.748SS**  trans57.8114.3138.948.60000121.1
1772D29.3Very low28.5Very low143 Ų143129.6 Ų129.677%0.76576%0.758SS**  93.4116.5119.5-57.6-11.2000121.8
1773T30.3Very low28.5Very low120 Ų120125.4 Ų125.474%0.73675%0.745SS**  trans71.2133.3133.556.30000123
1774L31.3Very low28.7Very low139 Ų139125.5 Ų125.573%0.72875%0.749SS**  trans80.1113.1147.2-69.9157.5000119.6
1775E30.5Very low28.8Very low179 Ų179124.7 Ų124.784%0.83674%0.743SS**  trans49.7130.1130.1-65.8176176.100121.6
1776G30Very low29Very low67 Ų67122.3 Ų122.369%0.69175%0.747SS**  trans101.894130.500000118.6
1777T30.2Very low29.2Very low135 Ų135123 Ų12383%0.82875%0.745SS**  trans70.5121.3137.3-13.90000120.7
1778S28.4Very low29.4Very low117 Ų117122.8 Ų122.882%0.81875%0.747SS**  trans58.1122.7146.1610000121.7
1779G27.6Very low29.6Very low88 Ų88124.8 Ų124.891%0.90775%0.753SS**  trans117.6124.7152.200000114.7
1780G28.3Very low29.9Very low74 Ų74124.1 Ų124.176%0.76376%0.759SS**  trans128.134.7170.100000116.9I1782G1780-I1782 PolarHBondContact O-N 3.38Å
1781E26Very low30Very low170 Ų170122.6 Ų122.679%0.79476%0.76SS**  trans-60.2129.7163.4176175.1-157.500110.3V1783E1781-V1783 HydrophobicContact CG-CG2 3.83Å; E1781-V1783 VanDerWaalsContact OE1-CG2 3.25Å; E1781-V1783 WeakPolarHBondContact OE1-CG2 3.5Å
1782I28.5Very low30.1Very low156 Ų156123 Ų12380%0.876%0.763SS**  trans-116.489.3166.1-58.9-180000107.9G1780G1780-I1782 PolarHBondContact O-N 3.38Å
1783V28.7Very low30.1Very low94 Ų94122.7 Ų122.757%0.5776%0.761SS**  trans-79.4136.5160.8164.60000108.7E1781 P1785E1781-V1783 HydrophobicContact CG-CG2 3.83Å; E1781-V1783 VanDerWaalsContact OE1-CG2 3.25Å; E1781-V1783 WeakPolarHBondContact OE1-CG2 3.5Å; V1783-P1785 HydrophobicContact CG1-CB 4.3Å; V1783-P1785 HydrophobicContact CG1-CG 4.4Å
1784I30.2Very low30.2Very low154 Ų154124.6 Ų124.679%0.7976%0.764SS**  trans-125.9135154.3-67.9-178.2000106.8
1785P30.8Very low30.4Very low105 Ų105126.7 Ų126.768%0.68277%0.77SS**  trans-108175.8-142.73.420.2000115.1V1783V1783-P1785 HydrophobicContact CG1-CB 4.3Å; V1783-P1785 HydrophobicContact CG1-CG 4.4Å
1786S30.6Very low30.3Very low109 Ų109126.7 Ų126.776%0.76277%0.77SS**  trans-50.6151.3167.9520000115.6
1787D31.5Very low30.6Very low154 Ų154131.8 Ų131.882%0.82478%0.78SS**  trans-133.9131138-151.111.2000109.3
1788P30.9Very low30.6Very low97 Ų97132.8 Ų132.863%0.6378%0.781SS**  trans-112118.2-167.336.1-24.6000113.3
1789N30.2Very low30.8Very low159 Ų159133.2 Ų133.285%0.8578%0.783SS**  trans-159.2145.5168.5-91.3-54.1000113
1790A38.3Very low31.2Very low92 Ų92137.5 Ų137.576%0.7678%0.779SS**  trans55.5100.6168.700000117
1791V29.3Very low31.8Very low135 Ų135139 Ų13982%0.81878%0.775SS**  cis73.2136.132.9-169.70000114.7
1792S30.4Very low32.5Very low97 Ų97136.9 Ų136.968%0.67878%0.776SS**  trans78135.5171.569.80000117.1
1793N30.7Very low32.9Very low135 Ų135136 Ų13672%0.72277%0.771SS**  cis-162.4158.83.9-101.5-9.9000111.9
1794M31.1Very low33.7Very low161 Ų161137 Ų13779%0.79378%0.78SS**  trans66.2141.7160.9-63.1168.6-65.400117.6
1795E36.1Very low34.5Very low182 Ų182135.3 Ų135.385%0.8577%0.769SS**  cis-150.3159.11.3-121.3168.3-176.100110.1
1796E29.3Very low35.3Very low180 Ų180139.5 Ų139.584%0.84178%0.776SS**  trans-92.2148.3-160.7-62.6162.7140.900115.5
1797L34.5Very low36Very low173 Ų173143.9 Ų143.991%0.90679%0.785SS**  trans-149.9124.8146.2-148.585.2000109.8C1799L1797-C1799 PolarHBondContact O-N 3.06Å
1798D31.5Very low37.2Very low156 Ų156139.7 Ų139.783%0.83477%0.768SS**  trans-61.5122.7-162.6-64-60.7000115.7
1799C31.2Very low39.2Very low127 Ų127137.2 Ų137.286%0.85876%0.759SS**  trans-145.6121.5154.5-87.50000108.5L1797L1797-C1799 PolarHBondContact O-N 3.06Å
1800E36.4Very low41.4Very low177 Ų177135.2 Ų135.283%0.82776%0.755SS**  trans-54.5144.2-175-75.7178111.700113
1801P41.7Very low43.2Very low107 Ų107136.9 Ų136.970%0.69575%0.75SS**  trans-60.3140.6170.127.7-34.3000109.6I1803P1801-I1803 PolarHBondContact O-N 3.4Å
1802P40.2Very low45.5Very low124 Ų124131.8 Ų131.881%0.80573%0.725SS**  trans-61.9112.7179.525.3-32.9000109.6
1803I37.8Very low47.8Very low137 Ų137134 Ų13470%0.70372%0.718SS**  trans-46.7127.7171.8-60.9163.5000107.2P1801 E1805P1801-I1803 PolarHBondContact O-N 3.4Å; I1803-E1805 PolarHBondContact O-N 2.73Å
1804P45.5Very low50Low115 Ų115130.1 Ų130.175%0.74770%0.695SS**  trans-53.6121.8-177.220.4-32.6000109.3K1806P1804-K1806 PolarHBondContact O-N 3.09Å
1805E47Very low52.4Low120 Ų120125.6 Ų125.656%0.56167%0.674SS**  trans-51.998.1-172.9-88.7-166.1145.500109.5I1803 Q1807 H1816I1803-E1805 PolarHBondContact O-N 2.73Å; E1805-Q1807 PolarHBondContact O-N 3.4Å; E1805-Q1807 VanDerWaalsContact O-N 3.09Å; E1805-H1816 IonicContact OE1-CE1 2.65Å; E1805-H1816 PolarHBondContact OE1-CE1 3.32Å; E1805-H1816 IonicContact OE1-ND1 3.28Å; E1805-H1816 PolarHBondContact OE1-ND1 3.09Å
1806K48.2Very low54.5Low193 Ų193121.1 Ų121.184%0.83965%0.652SS**  trans-54.4119.2176.8-172.7178-171.4175.40106.6P1804 S1808P1804-K1806 PolarHBondContact O-N 3.09Å; K1806-S1808 VanDerWaalsContact C-N 3.29Å; K1806-S1808 PolarHBondContact O-N 3.46Å
1807Q44.3Very low56.7Low201 Ų201117.6 Ų117.694%0.93964%0.636SS**  trans-44.190-170-76.5-176.6-13.400111.8E1805E1805-Q1807 PolarHBondContact O-N 3.4Å; E1805-Q1807 VanDerWaalsContact O-N 3.09Å
1808S57.5Low58.8Low66 Ų66109.8 Ų109.846%0.46260%0.595SS.*  trans-88.1140.9-179.5830000107.4K1806 R1813K1806-S1808 VanDerWaalsContact C-N 3.29Å; K1806-S1808 PolarHBondContact O-N 3.46Å; S1808-R1813 PolarHBondContact OG-N 3.15Å; S1808-R1813 VanDerWaalsContact OG-N 3.13Å
1809G72.8Confident61Low44 Ų44105.5 Ų105.545%0.45457%0.569SS.*  trans-56164.2176.700000111.2I1811 G1812 R1813G1809-I1811 CarbonylContact O-C 3.6Å; G1809-I1811 PolarHBondContact O-N 3.1Å; G1809-G1812 WeakPolarHBondContact O-CA 3.21Å; G1809-G1812 PolarHBondContact O-N 3.04Å; G1809-R1813 PolarHBondContact O-N 3.05Å; G1809-R1813 VanDerWaalsContact O-N 3.12Å
1810P76.7Confident62.9Low117 Ų117105.9 Ų105.976%0.7656%0.558SS**Hα-helixtrans-52.2-30.1-178.420.2-32.9000113.4F1814P1810-F1814 WeakPolarHBondContact O-CB 3.36Å; P1810-F1814 PolarHBondContact O-N 3.42Å
1811I76Confident64.6Low127 Ų12798.8 Ų98.865%0.65153%0.527SS*.Hα-helixtrans-66.8-44.8173.4-60.5167.4000112.1G1809 F1814 I1815G1809-I1811 CarbonylContact O-C 3.6Å; G1809-I1811 PolarHBondContact O-N 3.1Å; I1811-F1814 PolarHBondContact O-N 3.08Å; I1811-I1815 HydrophobicContact CG2-CD1 3.88Å; I1811-I1815 VanDerWaalsContact O-CG1 3.31Å; I1811-I1815 WeakPolarHBondContact O-CG1 3.17Å; I1811-I1815 PolarHBondContact O-N 2.96Å
1812G77.9Confident65.5Low29 Ų29100.5 Ų100.530%0.29952%0.524SS..Hα-helixtrans-63.6-43.1177.600000111.7G1809 F1814 I1815 H1816G1809-G1812 WeakPolarHBondContact O-CA 3.21Å; G1809-G1812 PolarHBondContact O-N 3.04Å; G1812-F1814 PolarHBondContact O-N 2.64Å; G1812-I1815 PolarHBondContact O-N 3.45Å; G1812-H1816 WeakPolarHBondContact O-CB 3.5Å; G1812-H1816 PolarHBondContact O-N 3.45Å
1813R76.8Confident66.6Low143 Ų14397.6 Ų97.654%0.5450%0.499SS..Hα-helixtrans-63.3-39.8174.5-163.3177.7-164.8-176.84.4112.3S1808 G1809 H1816 Q1817S1808-R1813 PolarHBondContact OG-N 3.15Å; S1808-R1813 VanDerWaalsContact OG-N 3.13Å; G1809-R1813 PolarHBondContact O-N 3.05Å; G1809-R1813 VanDerWaalsContact O-N 3.12Å; R1813-H1816 PolarHBondContact O-N 2.93Å; R1813-Q1817 WeakPolarHBondContact O-CB 3.28Å; R1813-Q1817 VanDerWaalsContact O-CG 3.26Å; R1813-Q1817 WeakPolarHBondContact O-CG 3.32Å; R1813-Q1817 PolarHBondContact O-N 2.93Å
1814F78.3Confident68Low54 Ų5496.1 Ų96.124%0.23748%0.484CS..Hα-helixtrans-63.7-43.4174.5177.2-103.1000112.3L1645 P1810 I1811 G1812 Q1817 L1818L1645-F1814 HydrophobicContact CB-CE1 4.35Å; L1645-F1814 HydrophobicContact CB-CZ 3.87Å; P1810-F1814 WeakPolarHBondContact O-CB 3.36Å; P1810-F1814 PolarHBondContact O-N 3.42Å; I1811-F1814 PolarHBondContact O-N 3.08Å; G1812-F1814 PolarHBondContact O-N 2.64Å; F1814-Q1817 PolarHBondContact O-N 3.49Å; F1814-L1818 WeakPolarHBondContact O-CB 3.12Å; F1814-L1818 PolarHBondContact O-N 3.18Å
1815I80.2Confident69.1Low66 Ų6693.9 Ų93.934%0.33846%0.461SS..Hα-helixtrans-66-39.9176.6-68.5168.7000111.2I1811 G1812 L1818 F1819I1811-I1815 HydrophobicContact CG2-CD1 3.88Å; I1811-I1815 VanDerWaalsContact O-CG1 3.31Å; I1811-I1815 WeakPolarHBondContact O-CG1 3.17Å; I1811-I1815 PolarHBondContact O-N 2.96Å; G1812-I1815 PolarHBondContact O-N 3.45Å; I1815-L1818 WeakPolarHBondContact O-CB 3.24Å; I1815-L1818 PolarHBondContact O-N 3.39Å; I1815-F1819 HydrophobicContact CG2-CD2 3.71Å; I1815-F1819 HydrophobicContact CG2-CE2 3.37Å; I1815-F1819 HydrophobicContact CG2-CZ 4.28Å; I1815-F1819 WeakPolarHBondContact O-CD2 3.39Å; I1815-F1819 PolarHBondContact O-N 3.11Å; I1815-F1819 VanDerWaalsContact O-N 3.08Å
1816H80.4Confident70.2Confident88 Ų8889 Ų8941%0.40744%0.439SS..Hα-helixtrans-61.7-46174.5-170.8-134000111.3E1805 G1812 R1813 L1818 F1819 H1820E1805-H1816 IonicContact OE1-CE1 2.65Å; E1805-H1816 PolarHBondContact OE1-CE1 3.32Å; E1805-H1816 IonicContact OE1-ND1 3.28Å; E1805-H1816 PolarHBondContact OE1-ND1 3.09Å; G1812-H1816 WeakPolarHBondContact O-CB 3.5Å; G1812-H1816 PolarHBondContact O-N 3.45Å; R1813-H1816 PolarHBondContact O-N 2.93Å; H1816-L1818 VanDerWaalsContact C-N 3.29Å; H1816-L1818 PolarHBondContact O-N 2.87Å; H1816-F1819 PolarHBondContact O-N 3.25Å; H1816-H1820 AromaticContact CD2-CD2 3.7Å; H1816-H1820 AromaticContact NE2-CD2 3.79Å; H1816-H1820 PolarHBondContact O-N 3.47Å
1817Q76.7Confident71.2Confident105 Ų10583.3 Ų83.349%0.49141%0.412SS..Hα-helixtrans-65.1-27.8174.9-72.6174.1-8.800113.8R1813 F1814 P1821R1813-Q1817 WeakPolarHBondContact O-CB 3.28Å; R1813-Q1817 VanDerWaalsContact O-CG 3.26Å; R1813-Q1817 WeakPolarHBondContact O-CG 3.32Å; R1813-Q1817 PolarHBondContact O-N 2.93Å; F1814-Q1817 PolarHBondContact O-N 3.49Å; Q1817-P1821 WeakPolarHBondContact O-CA 3.42Å
1818L79.1Confident72.7Confident10 Ų1076.1 Ų76.15%0.05238%0.38CS..Hα-helixtrans-72.2-42.3175.6177.163.2000111.9L1645 F1814 I1815 H1816 L1899 I1949L1645-L1818 HydrophobicContact CD2-CD1 4.38Å; L1645-L1818 HydrophobicContact CD2-CD2 4.46Å; L1645-L1818 WeakPolarHBondContact O-CD1 3.43Å; F1814-L1818 WeakPolarHBondContact O-CB 3.12Å; F1814-L1818 PolarHBondContact O-N 3.18Å; I1815-L1818 WeakPolarHBondContact O-CB 3.24Å; I1815-L1818 PolarHBondContact O-N 3.39Å; H1816-L1818 VanDerWaalsContact C-N 3.29Å; H1816-L1818 PolarHBondContact O-N 2.87Å; L1818-L1899 HydrophobicContact CD2-CD2 4.38Å; L1818-I1949 HydrophobicContact CD1-CG2 4.35Å; L1818-I1949 HydrophobicContact CD2-CG2 4.3Å
1819F76.9Confident73.9Confident65 Ų6573 Ų7329%0.28536%0.358SS..Hα-helixtrans-81.7-32.1179.6-65.2-45.3000113.4I1815 H1816 P1821 V1895 V1896 L1899I1815-F1819 HydrophobicContact CG2-CD2 3.71Å; I1815-F1819 HydrophobicContact CG2-CE2 3.37Å; I1815-F1819 HydrophobicContact CG2-CZ 4.28Å; I1815-F1819 WeakPolarHBondContact O-CD2 3.39Å; I1815-F1819 PolarHBondContact O-N 3.11Å; I1815-F1819 VanDerWaalsContact O-N 3.08Å; H1816-F1819 PolarHBondContact O-N 3.25Å; F1819-P1821 VanDerWaalsContact C-CD 3.43Å; F1819-P1821 WeakPolarHBondContact O-CD 3.31Å; F1819-V1895 HydrophobicContact CE1-CG1 4.31Å; F1819-V1896 HydrophobicContact CE1-CG2 4.35Å; F1819-V1896 HydrophobicContact CZ-CG2 4.15Å; F1819-L1899 HydrophobicContact CE1-CD2 4.26Å; F1819-L1899 HydrophobicContact CZ-CD2 3.77Å
1820H71.3Confident74.4Confident135 Ų13571.4 Ų71.463%0.62534%0.338SS*.SBendtrans-124.466.1-179.6-57.5-73.3000112.2H1816H1816-H1820 AromaticContact CD2-CD2 3.7Å; H1816-H1820 AromaticContact NE2-CD2 3.79Å; H1816-H1820 PolarHBondContact O-N 3.47Å
1821P71.4Confident74.5Confident28 Ų2867.9 Ų67.918%0.18232%0.316CS..  trans-72.8142.5177.931.2-35.7000111.8N1647 Q1817 F1819 F1823 R1824N1647-P1821 WeakPolarHBondContact ND2-CB 3.4Å; Q1817-P1821 WeakPolarHBondContact O-CA 3.42Å; F1819-P1821 VanDerWaalsContact C-CD 3.43Å; F1819-P1821 WeakPolarHBondContact O-CD 3.31Å; P1821-F1823 PolarHBondContact O-N 2.95Å; P1821-F1823 VanDerWaalsContact O-N 3.08Å; P1821-R1824 HydrophobicContact CG-CB 4.2Å; P1821-R1824 HydrophobicContact CG-CG 4.48Å
1822K60.2Low74.9Confident144 Ų14465.5 Ų65.563%0.62630%0.304SS*.SBendtrans-56.7-25.4172.5-170.7179.5178.2-171.10112.2D1738D1738-K1822 IonicContact OD1-NZ 2.98Å; D1738-K1822 PolarHBondContact OD1-NZ 2.82Å
1823F64.8Low75.4Confident62 Ų6264.2 Ų64.227%0.27229%0.29SS..SBendtrans-129.7111.3178.1-62.9-63.1000109.7M1349 N1647 P1821M1349-F1823 HydrophobicContact CE-CB 3.53Å; M1349-F1823 HydrophobicContact CE-CD1 3.97Å; M1349-F1823 HydrophobicContact CE-CG 4.22Å; M1349-F1823 HydrophobicContact SD-CB 4.18Å; M1349-F1823 HydrophobicContact SD-CD1 3.78Å; M1349-F1823 HydrophobicContact SD-CG 4.49Å; N1647-F1823 PolarHBondContact ND2-O 2.93Å; P1821-F1823 PolarHBondContact O-N 2.95Å; P1821-F1823 VanDerWaalsContact O-N 3.08Å
1824R67.3Low75.9Confident107 Ų10760.5 Ų60.540%0.40428%0.278SS..  trans-109.3124.8175.2-165.5-177-168.1174.311.9111M1349 P1821 I1826 N1951M1349-R1824 WeakPolarHBondContact CE-O 3.47Å; P1821-R1824 HydrophobicContact CG-CB 4.2Å; P1821-R1824 HydrophobicContact CG-CG 4.48Å; R1824-I1826 HydrophobicContact CG-CG1 4.19Å; R1824-N1951 WeakPolarHBondContact CG-O 3.22Å; R1824-N1951 PolarHBondContact NE-O 2.98Å
1825Y67.6Low76.2Confident67 Ų6759.3 Ų59.326%0.26328%0.281SS..  trans-108.4116.6174-177.5-85.3000108.3R1827 N1951Y1825-R1827 HydrophobicContact CD1-CB 4.39Å; Y1825-R1827 HydrophobicContact CE1-CB 4.14Å; Y1825-N1951 WeakPolarHBondContact O-CA 3.28Å; Y1825-N1951 WeakPolarHBondContact O-CB 2.93Å; Y1825-N1951 VanDerWaalsContact O-CG 3.29Å
1826I69.6Low76.8Confident17 Ų1757.3 Ų57.39%0.08727%0.271CS..  trans-97.1129.1-171.8-62.3165.3000109.9Q1356 R1824 P1954Q1356-I1826 VanDerWaalsContact OE1-CD1 3.27Å; R1824-I1826 HydrophobicContact CG-CG1 4.19Å; I1826-P1954 HydrophobicContact CG2-CB 4.26Å
1827R70.8Confident77.3Confident75 Ų7553.2 Ų53.228%0.28325%0.252SS..  trans-153.8142.8179.2-178171.8172.7161.2-4.4110.1Y1825 L1829 Q1948Y1825-R1827 HydrophobicContact CD1-CB 4.39Å; Y1825-R1827 HydrophobicContact CE1-CB 4.14Å; R1827-L1829 HydrophobicContact CG-CD2 4.15Å; R1827-L1829 HydrophobicContact CG-CG 4.31Å; R1827-Q1948 PolarHBondContact O-NE2 3.41Å; R1827-Q1948 VanDerWaalsContact O-NE2 3.07Å; R1827-Q1948 PolarHBondContact O-OE1 3.44Å; R1827-Q1948 VanDerWaalsContact O-OE1 3.1Å
1828D74.5Confident77.7Confident49 Ų4950.6 Ų50.626%0.26224%0.243SC..  trans-93.7125.1168.4-165.5-6.4000110.5Y1830 Y1890 P1954D1828-Y1830 VanDerWaalsContact OD1-CB 3.29Å; D1828-Y1830 WeakPolarHBondContact OD1-CB 3.1Å; D1828-Y1830 PolarHBondContact OD1-N 3.11Å; D1828-Y1890 WeakPolarHBondContact OD2-CE2 3.35Å; D1828-Y1890 PolarHBondContact OD2-OH 3.16Å; D1828-P1954 HydrophobicContact CB-CG 4.18Å
1829L82Confident78.2Confident0 Ų054 Ų540%026%0.26CS..  trans-117.30176.1-58.1164.9000111.9R1827 I1832 M1833 V1944 W1947 Q1948R1827-L1829 HydrophobicContact CG-CD2 4.15Å; R1827-L1829 HydrophobicContact CG-CG 4.31Å; L1829-I1832 HydrophobicContact CD2-CD1 4.03Å; L1829-I1832 WeakPolarHBondContact O-CA 3.4Å; L1829-I1832 WeakPolarHBondContact O-CB 3.38Å; L1829-I1832 PolarHBondContact O-N 3.27Å; L1829-M1833 WeakPolarHBondContact O-CG 3.37Å; L1829-M1833 PolarHBondContact O-N 3.32Å; L1829-V1944 HydrophobicContact CB-CG1 3.79Å; L1829-V1944 HydrophobicContact CD1-CG1 4.18Å; L1829-V1944 HydrophobicContact CG-CG1 4.43Å; L1829-W1947 HydrophobicContact CD1-CB 3.93Å; L1829-W1947 HydrophobicContact CD1-CD2 3.57Å; L1829-W1947 HydrophobicContact CD1-CE3 3.54Å; L1829-W1947 HydrophobicContact CD1-CG 3.75Å; L1829-W1947 HydrophobicContact CD1-CZ3 4.26Å; L1829-W1947 HydrophobicContact CD2-CE3 3.97Å; L1829-W1947 HydrophobicContact CD2-CH2 4.33Å; L1829-W1947 HydrophobicContact CD2-CZ3 3.84Å; L1829-W1947 HydrophobicContact CG-CE3 4.44Å; L1829-Q1948 HydrophobicContact CD1-CB 4.22Å; L1829-Q1948 VanDerWaalsContact CG-OE1 3.31Å
1830Y85.1Confident78.8Confident11 Ų1151 Ų514%0.04325%0.247CC..Hα-helixtrans-55.2-41.5-175.8-179.9-90.8000114.1D1828 I1832 M1833 F1834 R1887 Y1890D1828-Y1830 VanDerWaalsContact OD1-CB 3.29Å; D1828-Y1830 WeakPolarHBondContact OD1-CB 3.1Å; D1828-Y1830 PolarHBondContact OD1-N 3.11Å; Y1830-I1832 PolarHBondContact O-N 3.31Å; Y1830-M1833 WeakPolarHBondContact O-CB 3.49Å; Y1830-M1833 PolarHBondContact O-N 3.12Å; Y1830-M1833 VanDerWaalsContact O-N 3.1Å; Y1830-F1834 HydrophobicContact CE1-CB 4.19Å; Y1830-F1834 PolarHBondContact O-N 3.16Å; Y1830-R1887 WeakPolarHBondContact OH-CA 3.38Å; Y1830-R1887 WeakPolarHBondContact OH-CB 3.43Å; Y1830-R1887 WeakPolarHBondContact OH-CD 3.46Å; Y1830-Y1890 VanDerWaalsContact CB-CD2 3.42Å; Y1830-Y1890 AromaticContact CD1-CD1 3.99Å; Y1830-Y1890 HydrophobicContact CD1-CD1 3.99Å; Y1830-Y1890 HydrophobicContact CD1-CD2 4.21Å; Y1830-Y1890 HydrophobicContact CD1-CE1 4.03Å; Y1830-Y1890 HydrophobicContact CD1-CE2 4.23Å; Y1830-Y1890 HydrophobicContact CD1-CG 4.06Å; Y1830-Y1890 HydrophobicContact CD2-CD1 4.26Å; Y1830-Y1890 AromaticContact CD2-CD2 3.64Å; Y1830-Y1890 HydrophobicContact CD2-CD2 3.64Å; Y1830-Y1890 HydrophobicContact CD2-CE2 4.36Å; Y1830-Y1890 AromaticContact CD2-CG 3.55Å; Y1830-Y1890 HydrophobicContact CD2-CG 3.55Å; Y1830-Y1890 HydrophobicContact CE1-CD1 4.28Å; Y1830-Y1890 HydrophobicContact CE2-CD1 4.49Å; Y1830-Y1890 HydrophobicContact CE2-CG 4.01Å; Y1830-Y1890 HydrophobicContact CG-CD1 4.02Å; Y1830-Y1890 AromaticContact CG-CD2 3.45Å; Y1830-Y1890 HydrophobicContact CG-CD2 3.45Å; Y1830-Y1890 VanDerWaalsContact CG-CD2 3.45Å; Y1830-Y1890 HydrophobicContact CG-CE1 4.24Å; Y1830-Y1890 AromaticContact CG-CE2 3.71Å; Y1830-Y1890 HydrophobicContact CG-CE2 3.71Å; Y1830-Y1890 AromaticContact CG-CG 3.6Å; Y1830-Y1890 HydrophobicContact CG-CG 3.6Å
1831P78Confident79.6Confident44 Ų4447.7 Ų47.729%0.28623%0.231SC..Hα-helixtrans-60.1-33.3175.3-25.936.2000113.7G1835 L1961P1831-G1835 PolarHBondContact O-N 3.4Å; P1831-L1961 HydrophobicContact CB-CB 4.08Å; P1831-L1961 HydrophobicContact CB-CD2 3.7Å; P1831-L1961 HydrophobicContact CB-CG 4.41Å; P1831-L1961 HydrophobicContact CG-CB 4.17Å; P1831-L1961 HydrophobicContact CG-CD2 4.41Å
1832I84.4Confident80.3Confident77 Ų7750 Ų5040%0.39524%0.241SC..Hα-helixtrans-71.3-42.6175.8-58.8174.3000109.4L1829 Y1830 G1835 I1836 V1944L1829-I1832 HydrophobicContact CD2-CD1 4.03Å; L1829-I1832 WeakPolarHBondContact O-CA 3.4Å; L1829-I1832 WeakPolarHBondContact O-CB 3.38Å; L1829-I1832 PolarHBondContact O-N 3.27Å; Y1830-I1832 PolarHBondContact O-N 3.31Å; I1832-G1835 PolarHBondContact O-N 3.06Å; I1832-I1836 HydrophobicContact CG2-CD1 3.96Å; I1832-I1836 VanDerWaalsContact O-CG1 3.28Å; I1832-I1836 WeakPolarHBondContact O-CG1 3.3Å; I1832-I1836 PolarHBondContact O-N 2.89Å; I1832-V1944 HydrophobicContact CB-CG1 4.5Å; I1832-V1944 HydrophobicContact CG2-CG1 4.25Å; I1832-V1944 HydrophobicContact CG2-CG2 4.44Å
1833M89.2Confident81.6Confident1 Ų145 Ų451%0.00522%0.221CC..Hα-helixtrans-61-47.6177.2-63.7178.360.600111.9L1829 Y1830 G1835 I1836 D1837 K1898 Y1941 V1944 Q1948L1829-M1833 WeakPolarHBondContact O-CG 3.37Å; L1829-M1833 PolarHBondContact O-N 3.32Å; Y1830-M1833 WeakPolarHBondContact O-CB 3.49Å; Y1830-M1833 PolarHBondContact O-N 3.12Å; Y1830-M1833 VanDerWaalsContact O-N 3.1Å; M1833-G1835 PolarHBondContact O-N 2.96Å; M1833-I1836 PolarHBondContact O-N 3Å; M1833-D1837 PolarHBondContact O-N 2.77Å; M1833-K1898 VanDerWaalsContact CE-CE 3.46Å; M1833-K1898 VanDerWaalsContact CE-NZ 3.32Å; M1833-Y1941 HydrophobicContact CB-CD2 4.14Å; M1833-Y1941 HydrophobicContact CB-CE2 3.89Å; M1833-Y1941 HydrophobicContact CE-CD2 4.45Å; M1833-Y1941 HydrophobicContact CE-CE1 4.44Å; M1833-Y1941 HydrophobicContact CE-CE2 3.73Å; M1833-V1944 HydrophobicContact CG-CB 4.33Å; M1833-V1944 HydrophobicContact CG-CG1 3.6Å; M1833-V1944 HydrophobicContact SD-CG1 4.4Å; M1833-Q1948 HydrophobicContact SD-CB 4.13Å; M1833-Q1948 HydrophobicContact SD-CG 4.39Å
1834F87.1Confident82.5Confident65 Ų6542 Ų4229%0.28521%0.208SC..Hα-helixtrans-61.6-42.8174.7178.3-103.2000112Y1830 I1836 D1837 V1838 I1883Y1830-F1834 HydrophobicContact CE1-CB 4.19Å; Y1830-F1834 PolarHBondContact O-N 3.16Å; F1834-I1836 VanDerWaalsContact C-N 3.33Å; F1834-I1836 PolarHBondContact O-N 3.09Å; F1834-D1837 PolarHBondContact O-N 3.4Å; F1834-D1837 VanDerWaalsContact O-N 3.17Å; F1834-V1838 HydrophobicContact CD1-CG2 4.2Å; F1834-V1838 HydrophobicContact CE1-CG2 3.74Å; F1834-V1838 HydrophobicContact CE2-CG2 4.08Å; F1834-V1838 HydrophobicContact CZ-CG2 3.68Å; F1834-V1838 WeakPolarHBondContact O-CG2 3.28Å; F1834-V1838 PolarHBondContact O-N 2.84Å; F1834-I1883 HydrophobicContact CD2-CG2 4.13Å; F1834-I1883 HydrophobicContact CE2-CG2 3.9Å
1835G84.6Confident83.1Confident30 Ų3039.8 Ų39.831%0.30921%0.206SC..Hα-helixtrans-59.2-41.3175.200000113P1831 I1832 M1833 V1838 I1839P1831-G1835 PolarHBondContact O-N 3.4Å; I1832-G1835 PolarHBondContact O-N 3.06Å; M1833-G1835 PolarHBondContact O-N 2.96Å; G1835-V1838 PolarHBondContact O-N 3.38Å; G1835-I1839 VanDerWaalsContact O-CG1 3.32Å; G1835-I1839 WeakPolarHBondContact O-CG1 3.43Å; G1835-I1839 PolarHBondContact O-N 2.76Å; G1835-I1839 VanDerWaalsContact O-N 3.09Å
1836I91.6Very high83.8Confident24 Ų2444.2 Ų44.212%0.12323%0.227CC..Hα-helixtrans-66.2-38.9175.3-65165.2000111.1I1832 M1833 F1834 I1839 C1840 I1937 V1944I1832-I1836 HydrophobicContact CG2-CD1 3.96Å; I1832-I1836 VanDerWaalsContact O-CG1 3.28Å; I1832-I1836 WeakPolarHBondContact O-CG1 3.3Å; I1832-I1836 PolarHBondContact O-N 2.89Å; M1833-I1836 PolarHBondContact O-N 3Å; F1834-I1836 VanDerWaalsContact C-N 3.33Å; F1834-I1836 PolarHBondContact O-N 3.09Å; I1836-I1839 WeakPolarHBondContact O-CB 3.43Å; I1836-I1839 PolarHBondContact O-N 2.72Å; I1836-C1840 PolarHBondContact O-N 2.91Å; I1836-C1840 PolarHBondContact O-SG 3.27Å; I1836-I1937 HydrophobicContact CG2-CG2 3.6Å; I1836-I1937 WeakPolarHBondContact CG2-O 3.37Å; I1836-V1944 HydrophobicContact CD1-CG2 4.08Å
1837D90.4Very high84Confident2 Ų243.9 Ų43.91%0.01123%0.228CC..Hα-helixtrans-71.8-32.4177.6-86.6-14.7000113.9M1833 F1834 I1839 C1840 F1841 M1879 I1883 K1938 Y1941M1833-D1837 PolarHBondContact O-N 2.77Å; F1834-D1837 PolarHBondContact O-N 3.4Å; F1834-D1837 VanDerWaalsContact O-N 3.17Å; D1837-I1839 VanDerWaalsContact C-N 3.32Å; D1837-C1840 WeakPolarHBondContact O-CB 3.44Å; D1837-C1840 PolarHBondContact O-N 3.42Å; D1837-F1841 WeakPolarHBondContact O-CB 3.41Å; D1837-F1841 PolarHBondContact O-N 3.34Å; D1837-M1879 HydrophobicContact CB-CE 4.49Å; D1837-I1883 HydrophobicContact CB-CD1 4.17Å; D1837-I1883 HydrophobicContact CB-CG1 3.94Å; D1837-K1938 IonicContact OD1-NZ 3.35Å; D1837-K1938 PolarHBondContact OD1-NZ 3.38Å; D1837-K1938 IonicContact OD2-NZ 2.62Å; D1837-K1938 PolarHBondContact OD2-NZ 2.94Å; D1837-Y1941 WeakPolarHBondContact OD2-CE2 3.42Å
1838V85.6Confident84.3Confident49 Ų4941.7 Ų41.730%0.29722%0.22SC..Hα-helixtrans-63.8-38.4168172.50000111F1834 G1835 F1841 L1842F1834-V1838 HydrophobicContact CD1-CG2 4.2Å; F1834-V1838 HydrophobicContact CE1-CG2 3.74Å; F1834-V1838 HydrophobicContact CE2-CG2 4.08Å; F1834-V1838 HydrophobicContact CZ-CG2 3.68Å; F1834-V1838 WeakPolarHBondContact O-CG2 3.28Å; F1834-V1838 PolarHBondContact O-N 2.84Å; G1835-V1838 PolarHBondContact O-N 3.38Å; V1838-F1841 WeakPolarHBondContact O-CB 3.48Å; V1838-F1841 PolarHBondContact O-N 3.09Å; V1838-L1842 HydrophobicContact CG1-CD1 4.36Å; V1838-L1842 WeakPolarHBondContact O-CG 3.19Å; V1838-L1842 PolarHBondContact O-N 3.39Å
1839I89.1Confident84.3Confident83 Ų8341 Ų4143%0.42622%0.218SC..Hα-helixtrans-64.9-42.7173.3-67.5164.2000110.8G1835 I1836 D1837 F1841 L1842 I1843 I1937G1835-I1839 VanDerWaalsContact O-CG1 3.32Å; G1835-I1839 WeakPolarHBondContact O-CG1 3.43Å; G1835-I1839 PolarHBondContact O-N 2.76Å; G1835-I1839 VanDerWaalsContact O-N 3.09Å; I1836-I1839 WeakPolarHBondContact O-CB 3.43Å; I1836-I1839 PolarHBondContact O-N 2.72Å; D1837-I1839 VanDerWaalsContact C-N 3.32Å; I1839-F1841 VanDerWaalsContact C-N 3.32Å; I1839-F1841 PolarHBondContact O-N 2.99Å; I1839-L1842 PolarHBondContact O-N 3.38Å; I1839-I1843 HydrophobicContact CG2-CD1 3.82Å; I1839-I1843 HydrophobicContact CG2-CG1 4.45Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.4Å; I1839-I1843 PolarHBondContact O-N 2.89Å; I1839-I1937 HydrophobicContact CG2-CD1 4.18Å; I1839-I1937 HydrophobicContact CG2-CG2 4.18Å
1840C89.9Confident84.1Confident1 Ų141.6 Ų41.61%0.00722%0.223CC..Hα-helixtrans-58.3-43.5172.7-66.50000111.9I1836 D1837 I1843 M1844 M1879I1836-C1840 PolarHBondContact O-N 2.91Å; I1836-C1840 PolarHBondContact O-SG 3.27Å; D1837-C1840 WeakPolarHBondContact O-CB 3.44Å; D1837-C1840 PolarHBondContact O-N 3.42Å; C1840-I1843 PolarHBondContact O-N 3.31Å; C1840-M1844 WeakPolarHBondContact O-CG 3.27Å; C1840-M1844 PolarHBondContact O-N 3.49Å; C1840-M1879 HydrophobicContact CB-CE 3.69Å
1841F87.7Confident83.7Confident65 Ų6541.2 Ų41.229%0.28522%0.222SC..Hα-helixtrans-60.3-45.6176.8-174.4-87.4000112.3D1837 V1838 I1839 M1844 T1845 L1876 T1880D1837-F1841 WeakPolarHBondContact O-CB 3.41Å; D1837-F1841 PolarHBondContact O-N 3.34Å; V1838-F1841 WeakPolarHBondContact O-CB 3.48Å; V1838-F1841 PolarHBondContact O-N 3.09Å; I1839-F1841 VanDerWaalsContact C-N 3.32Å; I1839-F1841 PolarHBondContact O-N 2.99Å; F1841-M1844 HydrophobicContact CD2-CE 4.49Å; F1841-M1844 PolarHBondContact O-N 3.49Å; F1841-T1845 WeakPolarHBondContact O-CB 3.39Å; F1841-T1845 PolarHBondContact O-N 3.48Å; F1841-T1845 PolarHBondContact O-OG1 3Å; F1841-L1876 HydrophobicContact CE2-CD1 4.38Å; F1841-L1876 HydrophobicContact CE2-CD2 3.7Å; F1841-L1876 HydrophobicContact CE2-CG 3.77Å; F1841-L1876 HydrophobicContact CZ-CD1 4.38Å; F1841-L1876 HydrophobicContact CZ-CD2 4.11Å; F1841-L1876 HydrophobicContact CZ-CG 4.24Å; F1841-T1880 HydrophobicContact CD2-CG2 4.37Å; F1841-T1880 HydrophobicContact CE2-CG2 3.79Å
1842L86.3Confident83.2Confident77 Ų7739.7 Ų39.740%0.40322%0.215SC..Hα-helixtrans-64.3-40.3175.7-70.3173.1000112.2V1838 I1839 T1845 F1846V1838-L1842 HydrophobicContact CG1-CD1 4.36Å; V1838-L1842 WeakPolarHBondContact O-CG 3.19Å; V1838-L1842 PolarHBondContact O-N 3.39Å; I1839-L1842 PolarHBondContact O-N 3.38Å; L1842-T1845 PolarHBondContact O-N 2.9Å; L1842-F1846 HydrophobicContact CB-CD2 4.26Å; L1842-F1846 HydrophobicContact CB-CE2 4.11Å; L1842-F1846 HydrophobicContact CD2-CE2 4.13Å; L1842-F1846 WeakPolarHBondContact O-CD2 3.28Å; L1842-F1846 PolarHBondContact O-N 3.43Å
1843I87.6Confident82.4Confident38 Ų3843.5 Ų43.520%0.19523%0.231CC..Hα-helixtrans-64.2-41.2178.5-73.2170.7000111.8I1839 C1840 G1847 V1930 I1937I1839-I1843 HydrophobicContact CG2-CD1 3.82Å; I1839-I1843 HydrophobicContact CG2-CG1 4.45Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.4Å; I1839-I1843 PolarHBondContact O-N 2.89Å; C1840-I1843 PolarHBondContact O-N 3.31Å; I1843-G1847 WeakPolarHBondContact O-CA 3.45Å; I1843-G1847 PolarHBondContact O-N 2.86Å; I1843-V1930 HydrophobicContact CG2-CG1 4.08Å; I1843-I1937 HydrophobicContact CD1-CD1 3.27Å
1844M84.2Confident81Confident0 Ų045.6 Ų45.60%025%0.253CS..Hα-helixtrans-64.5-42.4173.3-66.4-179-60.900111.8C1840 F1841 G1847 Y1848 F1851 L1872 M1875 M1879 L1934C1840-M1844 WeakPolarHBondContact O-CG 3.27Å; C1840-M1844 PolarHBondContact O-N 3.49Å; F1841-M1844 HydrophobicContact CD2-CE 4.49Å; F1841-M1844 PolarHBondContact O-N 3.49Å; M1844-G1847 CarbonylContact O-C 3.59Å; M1844-G1847 PolarHBondContact O-N 3.37Å; M1844-Y1848 PolarHBondContact O-N 3.3Å; M1844-F1851 HydrophobicContact CB-CE2 4.49Å; M1844-F1851 HydrophobicContact CG-CZ 4.43Å; M1844-L1872 HydrophobicContact CB-CD1 4.32Å; M1844-L1872 WeakPolarHBondContact O-CD1 3.3Å; M1844-M1875 HydrophobicContact CG-CE 4.39Å; M1844-M1875 HydrophobicContact SD-CB 3.97Å; M1844-M1875 HydrophobicContact SD-CE 4.01Å; M1844-M1879 HydrophobicContact CE-CB 3.65Å; M1844-M1879 HydrophobicContact CE-CG 3.57Å; M1844-M1879 HydrophobicContact SD-CG 3.95Å; M1844-L1934 HydrophobicContact CG-CD1 3.53Å; M1844-L1934 HydrophobicContact SD-CD1 4Å
1845T79.8Confident79.4Confident60 Ų6043.9 Ų43.937%0.36825%0.253SS..Hα-helixtrans-66.3-45.4-177.5-54.20000111.9F1841 L1842F1841-T1845 WeakPolarHBondContact O-CB 3.39Å; F1841-T1845 PolarHBondContact O-N 3.48Å; F1841-T1845 PolarHBondContact O-OG1 3Å; L1842-T1845 PolarHBondContact O-N 2.9Å
1846F81.7Confident78.1Confident161 Ų16146.1 Ų46.171%0.70626%0.264SS*.Hα-helixtrans-73.8-31.5175.3-66.1-52.2000112.7L1842 Y1848L1842-F1846 HydrophobicContact CB-CD2 4.26Å; L1842-F1846 HydrophobicContact CB-CE2 4.11Å; L1842-F1846 HydrophobicContact CD2-CE2 4.13Å; L1842-F1846 WeakPolarHBondContact O-CD2 3.28Å; L1842-F1846 PolarHBondContact O-N 3.43Å; F1846-Y1848 VanDerWaalsContact C-N 3.31Å; F1846-Y1848 PolarHBondContact O-N 3.08Å
1847G75.5Confident76.6Confident9 Ų947 Ų479%0.09328%0.28CS..THydrogen-bonded Turntrans-87.216.8-179.100000115.4I1843 M1844 S1849 A1850 F1851I1843-G1847 WeakPolarHBondContact O-CA 3.45Å; I1843-G1847 PolarHBondContact O-N 2.86Å; M1844-G1847 CarbonylContact O-C 3.59Å; M1844-G1847 PolarHBondContact O-N 3.37Å; G1847-S1849 PolarHBondContact O-N 2.99Å; G1847-S1849 VanDerWaalsContact O-N 3.09Å; G1847-A1850 WeakPolarHBondContact O-CB 3.24Å; G1847-A1850 PolarHBondContact O-N 2.97Å; G1847-F1851 WeakPolarHBondContact O-CD2 3.37Å
1848Y76.4Confident75.2Confident30 Ų3050.8 Ų50.812%0.11830%0.3CS..G310 helixtrans-50-38.6-172.479.1-77.7000114M1844 F1846 A1850 F1851 G1857 N1858 V1859 D1862M1844-Y1848 PolarHBondContact O-N 3.3Å; F1846-Y1848 VanDerWaalsContact C-N 3.31Å; F1846-Y1848 PolarHBondContact O-N 3.08Å; Y1848-A1850 VanDerWaalsContact C-N 3.26Å; Y1848-A1850 PolarHBondContact O-N 2.82Å; Y1848-F1851 PolarHBondContact O-N 3.1Å; Y1848-G1857 PolarHBondContact OH-O 3.44Å; Y1848-N1858 VanDerWaalsContact OH-C 3.27Å; Y1848-V1859 HydrophobicContact CD1-CG2 4.46Å; Y1848-V1859 HydrophobicContact CE1-CG2 3.58Å; Y1848-V1859 VanDerWaalsContact OH-CA 3.27Å; Y1848-V1859 WeakPolarHBondContact OH-CA 3.31Å; Y1848-V1859 PolarHBondContact OH-N 3.49Å; Y1848-D1862 HydrophobicContact CE2-CB 4.02Å; Y1848-D1862 WeakPolarHBondContact CE2-OD2 3.31Å
1849S74.6Confident74Confident33 Ų3352.5 Ų52.523%0.23131%0.31CS..G310 helixtrans-68.4-18.8-179.160.50000114.4G1847G1847-S1849 PolarHBondContact O-N 2.99Å; G1847-S1849 VanDerWaalsContact O-N 3.09Å
1850A76.6Confident72.7Confident13 Ų1353 Ų5311%0.10731%0.313CS..G310 helixtrans-87.3-8-178.600000114.1G1847 Y1848 N1928 V1930G1847-A1850 WeakPolarHBondContact O-CB 3.24Å; G1847-A1850 PolarHBondContact O-N 2.97Å; Y1848-A1850 VanDerWaalsContact C-N 3.26Å; Y1848-A1850 PolarHBondContact O-N 2.82Å; A1850-N1928 PolarHBondContact O-ND2 3.44Å; A1850-V1930 HydrophobicContact CB-CB 3.74Å; A1850-V1930 HydrophobicContact CB-CG1 4.44Å; A1850-V1930 HydrophobicContact CB-CG2 3.52Å
1851F77.2Confident71.5Confident3 Ų355.6 Ų55.61%0.01333%0.327CS..SBendtrans-100.2-11.1177.7-62-74.6000113.5M1844 G1847 Y1848 T1871 L1872 M1875 L1917 T1921 V1930 L1934M1844-F1851 HydrophobicContact CB-CE2 4.49Å; M1844-F1851 HydrophobicContact CG-CZ 4.43Å; G1847-F1851 WeakPolarHBondContact O-CD2 3.37Å; Y1848-F1851 PolarHBondContact O-N 3.1Å; F1851-T1871 PolarHBondContact O-OG1 3.11Å; F1851-L1872 HydrophobicContact CB-CB 4.42Å; F1851-L1872 HydrophobicContact CD2-CD1 4Å; F1851-L1872 HydrophobicContact CE2-CD1 4.47Å; F1851-M1875 HydrophobicContact CD1-CE 4.18Å; F1851-M1875 HydrophobicContact CD1-SD 3.76Å; F1851-M1875 HydrophobicContact CE1-CE 3.54Å; F1851-M1875 HydrophobicContact CE1-SD 3.76Å; F1851-M1875 HydrophobicContact CZ-CE 3.94Å; F1851-L1917 HydrophobicContact CD1-CD1 4.06Å; F1851-L1917 HydrophobicContact CD1-CD2 4.39Å; F1851-L1917 HydrophobicContact CE1-CD2 4.4Å; F1851-T1921 WeakPolarHBondContact O-CG2 3.33Å; F1851-V1930 HydrophobicContact CE2-CG1 3.61Å; F1851-V1930 HydrophobicContact CZ-CG1 3.63Å; F1851-L1934 HydrophobicContact CZ-CD1 4.21Å
1852G68.9Low70.3Confident13 Ų1353.3 Ų53.313%0.13432%0.318CS..SBendtrans-97.1172.1172.900000113G1854G1852-G1854 VanDerWaalsContact C-N 3.26Å; G1852-G1854 PolarHBondContact O-N 3.22Å
1853E67.1Low69.3Low156 Ų15654.3 Ų54.373%0.72933%0.327SS*.SBendtrans-68.2-24.1-178.8-63.5178.5151.400112.7R1923E1853-R1923 PolarHBondContact O-NH2 3.19Å
1854G59.2Low68Low46 Ų4657.2 Ų57.247%0.47434%0.338SS..  trans173.192.3167.900000114.7G1852G1852-G1854 VanDerWaalsContact C-N 3.26Å; G1852-G1854 PolarHBondContact O-N 3.22Å
1855G54.2Low67Low28 Ų2859.5 Ų59.529%0.28936%0.357SS..  trans-84.8149.8169.300000112.3G1857 D1862G1855-G1857 PolarHBondContact O-N 2.86Å; G1855-D1862 VanDerWaalsContact CA-OD2 3.25Å; G1855-D1862 WeakPolarHBondContact CA-OD2 3.36Å
1856S57.2Low66.3Low78 Ų7861.7 Ų61.755%0.54538%0.375SS..  trans-71.8-7-17868.30000113.9N1858S1856-N1858 PolarHBondContact O-N 3.11Å; S1856-N1858 WeakPolarHBondContact OG-CB 3.21Å; S1856-N1858 PolarHBondContact OG-N 2.94Å
1857G58.9Low65.5Low43 Ų4362.4 Ų62.444%0.44337%0.373SS..SBendtrans81.2-19.9-167.800000113Y1848 G1855 V1859Y1848-G1857 PolarHBondContact OH-O 3.44Å; G1855-G1857 PolarHBondContact O-N 2.86Å; G1857-V1859 PolarHBondContact O-N 2.65Å
1858N61.4Low65.1Low81 Ų8167.4 Ų67.443%0.43340%0.396SS..  trans-88.4105.7179.4-166.114.2000110.8Y1848 S1856 L1860 D1861 D1862Y1848-N1858 VanDerWaalsContact OH-C 3.27Å; S1856-N1858 PolarHBondContact O-N 3.11Å; S1856-N1858 WeakPolarHBondContact OG-CB 3.21Å; S1856-N1858 PolarHBondContact OG-N 2.94Å; N1858-L1860 PolarHBondContact O-N 3.21Å; N1858-D1861 HydrophobicContact CB-CB 4.48Å; N1858-D1861 WeakPolarHBondContact CB-OD2 3.35Å; N1858-D1861 PolarHBondContact ND2-OD2 3.44Å; N1858-D1861 PolarHBondContact O-N 2.99Å; N1858-D1862 PolarHBondContact O-N 2.03Å
1859V61.1Low64.9Low85 Ų8567 Ų6752%0.51540%0.397SS..Hα-helixtrans-52.8-33.7-177.2-179.80000111.4Y1848 G1857 D1861 V1863Y1848-V1859 HydrophobicContact CD1-CG2 4.46Å; Y1848-V1859 HydrophobicContact CE1-CG2 3.58Å; Y1848-V1859 VanDerWaalsContact OH-CA 3.27Å; Y1848-V1859 WeakPolarHBondContact OH-CA 3.31Å; Y1848-V1859 PolarHBondContact OH-N 3.49Å; G1857-V1859 PolarHBondContact O-N 2.65Å; V1859-D1861 VanDerWaalsContact C-N 3.29Å; V1859-D1861 PolarHBondContact O-N 3.22Å; V1859-V1863 HydrophobicContact CG1-CG2 4.06Å; V1859-V1863 VanDerWaalsContact O-CB 3.24Å; V1859-V1863 WeakPolarHBondContact O-CB 3.31Å; V1859-V1863 WeakPolarHBondContact O-CG2 3.34Å; V1859-V1863 PolarHBondContact O-N 3.02Å
1860L61Low65.1Low92 Ų9270.7 Ų70.748%0.48242%0.418SS..Hα-helixtrans-63.4-32.7179.5-133.879.8000113.3N1858 K1864 F2345N1858-L1860 PolarHBondContact O-N 3.21Å; L1860-K1864 WeakPolarHBondContact O-CD 3.34Å; L1860-K1864 WeakPolarHBondContact O-CE 3.48Å; L1860-K1864 WeakPolarHBondContact O-CG 3.5Å; L1860-K1864 PolarHBondContact O-N 3.11Å; L1860-K1864 VanDerWaalsContact O-N 3.12Å; L1860-F2345 HydrophobicContact CD2-CE2 4.45Å; L1860-F2345 HydrophobicContact CD2-CZ 4.37Å
1861D63.9Low65.3Low56 Ų5670.6 Ų70.630%0.29942%0.416SS..Hα-helixtrans-87.7-39.2-175.2-60.2-34.8000111.3N1858 V1859 V1863 K1864 A1865N1858-D1861 HydrophobicContact CB-CB 4.48Å; N1858-D1861 WeakPolarHBondContact CB-OD2 3.35Å; N1858-D1861 PolarHBondContact ND2-OD2 3.44Å; N1858-D1861 PolarHBondContact O-N 2.99Å; V1859-D1861 VanDerWaalsContact C-N 3.29Å; V1859-D1861 PolarHBondContact O-N 3.22Å; D1861-V1863 VanDerWaalsContact C-N 3.32Å; D1861-V1863 PolarHBondContact O-N 2.9Å; D1861-K1864 WeakPolarHBondContact O-CB 3.5Å; D1861-K1864 PolarHBondContact O-N 3.39Å; D1861-K1864 IonicContact OD1-NZ 3.39Å; D1861-K1864 PolarHBondContact OD1-NZ 3.07Å; D1861-A1865 WeakPolarHBondContact O-CB 3.41Å; D1861-A1865 PolarHBondContact O-N 3.15Å
1862D64.4Low65.5Low18 Ų1871.3 Ų71.310%0.09642%0.42CS..Hα-helixtrans-67.3-33.6172.9-71-24.4000111.5Y1848 G1855 N1858 A1865 S1866 R1867Y1848-D1862 HydrophobicContact CE2-CB 4.02Å; Y1848-D1862 WeakPolarHBondContact CE2-OD2 3.31Å; G1855-D1862 VanDerWaalsContact CA-OD2 3.25Å; G1855-D1862 WeakPolarHBondContact CA-OD2 3.36Å; N1858-D1862 PolarHBondContact O-N 2.03Å; D1862-A1865 PolarHBondContact O-N 3.06Å; D1862-S1866 PolarHBondContact O-N 3.46Å; D1862-S1866 VanDerWaalsContact O-N 3.15Å; D1862-R1867 PolarHBondContact O-N 3.44Å
1863V63.5Low66.2Low97 Ų9774.1 Ų74.159%0.58843%0.434SS*.Hα-helixtrans-68.3-41.3169.9169.40000112.1V1859 D1861 A1865 S1866V1859-V1863 HydrophobicContact CG1-CG2 4.06Å; V1859-V1863 VanDerWaalsContact O-CB 3.24Å; V1859-V1863 WeakPolarHBondContact O-CB 3.31Å; V1859-V1863 WeakPolarHBondContact O-CG2 3.34Å; V1859-V1863 PolarHBondContact O-N 3.02Å; D1861-V1863 VanDerWaalsContact C-N 3.32Å; D1861-V1863 PolarHBondContact O-N 2.9Å; V1863-A1865 VanDerWaalsContact C-N 3.28Å; V1863-A1865 PolarHBondContact O-N 3.36Å; V1863-S1866 PolarHBondContact O-N 3.32Å; V1863-S1866 VanDerWaalsContact O-N 3.12Å
1864K60.7Low67Low99 Ų9970.1 Ų70.143%0.4342%0.421SS..Hα-helixtrans-59.4-40.9172.8-77165.4-150.2165.60111.5L1860 D1861 S1866 F2345L1860-K1864 WeakPolarHBondContact O-CD 3.34Å; L1860-K1864 WeakPolarHBondContact O-CE 3.48Å; L1860-K1864 WeakPolarHBondContact O-CG 3.5Å; L1860-K1864 PolarHBondContact O-N 3.11Å; L1860-K1864 VanDerWaalsContact O-N 3.12Å; D1861-K1864 WeakPolarHBondContact O-CB 3.5Å; D1861-K1864 PolarHBondContact O-N 3.39Å; D1861-K1864 IonicContact OD1-NZ 3.39Å; D1861-K1864 PolarHBondContact OD1-NZ 3.07Å; K1864-S1866 PolarHBondContact O-N 2.9Å; K1864-F2345 HydrophobicContact CD-CB 4.44Å
1865A64.4Low68.2Low49 Ų4969 Ų6941%0.40540%0.403SS..THydrogen-bonded Turntrans-76.1-5178.800000113.7D1861 D1862 V1863 R1867D1861-A1865 WeakPolarHBondContact O-CB 3.41Å; D1861-A1865 PolarHBondContact O-N 3.15Å; D1862-A1865 PolarHBondContact O-N 3.06Å; V1863-A1865 VanDerWaalsContact C-N 3.28Å; V1863-A1865 PolarHBondContact O-N 3.36Å; A1865-R1867 HydrophobicContact CB-CB 4.2Å; A1865-R1867 HydrophobicContact CB-CG 3.71Å; A1865-R1867 PolarHBondContact O-N 3.09Å; A1865-R1867 VanDerWaalsContact O-N 3.16Å
1866S64.4Low69.7Low106 Ų10670.3 Ų70.374%0.74140%0.404SS*.THydrogen-bonded Turntrans5425.6-170.6-54.80000113.6D1862 V1863 K1864 I1868D1862-S1866 PolarHBondContact O-N 3.46Å; D1862-S1866 VanDerWaalsContact O-N 3.15Å; V1863-S1866 PolarHBondContact O-N 3.32Å; V1863-S1866 VanDerWaalsContact O-N 3.12Å; K1864-S1866 PolarHBondContact O-N 2.9Å; S1866-I1868 PolarHBondContact O-N 3.36Å
1867R64Low71.1Confident175 Ų17570.1 Ų70.166%0.6640%0.399SS*.  trans-90.171.7-176.1-72.2179.3-177.2-177.20.7110.7D1862 A1865 P1869D1862-R1867 PolarHBondContact O-N 3.44Å; A1865-R1867 HydrophobicContact CB-CB 4.2Å; A1865-R1867 HydrophobicContact CB-CG 3.71Å; A1865-R1867 PolarHBondContact O-N 3.09Å; A1865-R1867 VanDerWaalsContact O-N 3.16Å; R1867-P1869 WeakPolarHBondContact O-CD 3.21Å
1868I67.3Low72.4Confident115 Ų11569.9 Ų69.959%0.5940%0.396SS*.  trans-85.5117.9165.7-54.4178.5000107.5S1866 V1870 V1873S1866-I1868 PolarHBondContact O-N 3.36Å; I1868-V1870 PolarHBondContact O-N 2.95Å; I1868-V1873 HydrophobicContact CG2-CG2 3.59Å
1869P72.3Confident73.7Confident21 Ų2167 Ų6714%0.13638%0.381CS..  trans-60.9129-178.7-24.134.6000111.7R1867 T1871 L1872 V1873R1867-P1869 WeakPolarHBondContact O-CD 3.21Å; P1869-T1871 WeakPolarHBondContact CB-OG1 3.46Å; P1869-T1871 PolarHBondContact O-N 2.87Å; P1869-L1872 HydrophobicContact CB-CB 4.05Å; P1869-L1872 HydrophobicContact CG-CB 4.49Å; P1869-L1872 WeakPolarHBondContact O-CB 3.19Å; P1869-L1872 PolarHBondContact O-N 3.42Å; P1869-V1873 PolarHBondContact O-N 3.05Å; P1869-V1873 VanDerWaalsContact O-N 3.16Å
1870V79.3Confident74.9Confident110 Ų11065.4 Ų65.467%0.66737%0.371SS*.Hα-helixtrans-59.2-38.5179-179.10000111I1868 L1872 V1873 V1874I1868-V1870 PolarHBondContact O-N 2.95Å; V1870-L1872 VanDerWaalsContact C-N 3.32Å; V1870-L1872 PolarHBondContact O-N 2.99Å; V1870-V1873 PolarHBondContact O-N 2.92Å; V1870-V1874 HydrophobicContact CG1-CG2 4.36Å; V1870-V1874 WeakPolarHBondContact O-CG2 3.45Å; V1870-V1874 PolarHBondContact O-N 2.93Å
1871T81.1Confident76.2Confident12 Ų1265.6 Ų65.67%0.07437%0.372CS..Hα-helixtrans-50.9-46.8170.544.50000112.6F1851 P1869 M1875 M1920F1851-T1871 PolarHBondContact O-OG1 3.11Å; P1869-T1871 WeakPolarHBondContact CB-OG1 3.46Å; P1869-T1871 PolarHBondContact O-N 2.87Å; T1871-M1875 WeakPolarHBondContact O-CB 3.36Å; T1871-M1875 VanDerWaalsContact O-CG 3.23Å; T1871-M1875 WeakPolarHBondContact O-CG 3.28Å; T1871-M1875 PolarHBondContact O-N 3.28Å; T1871-M1920 HydrophobicContact CG2-CB 4.38Å; T1871-M1920 HydrophobicContact CG2-CE 3.81Å; T1871-M1920 HydrophobicContact CG2-SD 4.04Å
1872L82.1Confident77.4Confident17 Ų1763.2 Ų63.29%0.08936%0.36CS..Hα-helixtrans-66-44.4178.1178.769.8000112M1844 F1851 P1869 V1870 M1875 L1876M1844-L1872 HydrophobicContact CB-CD1 4.32Å; M1844-L1872 WeakPolarHBondContact O-CD1 3.3Å; F1851-L1872 HydrophobicContact CB-CB 4.42Å; F1851-L1872 HydrophobicContact CD2-CD1 4Å; F1851-L1872 HydrophobicContact CE2-CD1 4.47Å; P1869-L1872 HydrophobicContact CB-CB 4.05Å; P1869-L1872 HydrophobicContact CG-CB 4.49Å; P1869-L1872 WeakPolarHBondContact O-CB 3.19Å; P1869-L1872 PolarHBondContact O-N 3.42Å; V1870-L1872 VanDerWaalsContact C-N 3.32Å; V1870-L1872 PolarHBondContact O-N 2.99Å; L1872-M1875 PolarHBondContact O-N 2.78Å; L1872-L1876 WeakPolarHBondContact O-CB 3.21Å; L1872-L1876 PolarHBondContact O-N 3.1Å
1873V82.3Confident78.6Confident72 Ų7263.7 Ų63.744%0.43636%0.362SS..Hα-helixtrans-62.2-46.3179.6-179.10000110.4I1868 P1869 V1870 M1875 L1876 V1877I1868-V1873 HydrophobicContact CG2-CG2 3.59Å; P1869-V1873 PolarHBondContact O-N 3.05Å; P1869-V1873 VanDerWaalsContact O-N 3.16Å; V1870-V1873 PolarHBondContact O-N 2.92Å; V1873-M1875 VanDerWaalsContact C-N 3.34Å; V1873-M1875 PolarHBondContact O-N 3.01Å; V1873-L1876 PolarHBondContact O-N 3.37Å; V1873-V1877 HydrophobicContact CG1-CG2 4.44Å; V1873-V1877 WeakPolarHBondContact O-CB 3.43Å; V1873-V1877 WeakPolarHBondContact O-CG2 3.3Å; V1873-V1877 PolarHBondContact O-N 3.41Å
1874V84.3Confident79.9Confident73 Ų7361.9 Ų61.944%0.44235%0.348SS..Hα-helixtrans-61.1-42.4176.2172.90000111.2V1870 G1878 W1912V1870-V1874 HydrophobicContact CG1-CG2 4.36Å; V1870-V1874 WeakPolarHBondContact O-CG2 3.45Å; V1870-V1874 PolarHBondContact O-N 2.93Å; V1874-G1878 PolarHBondContact O-N 3.4Å; V1874-W1912 HydrophobicContact CG1-CH2 3.93Å; V1874-W1912 HydrophobicContact CG1-CZ2 4.23Å
1875M83.5Confident81.3Confident22 Ų2261.1 Ų61.111%0.10835%0.348CS..Hα-helixtrans-68.1-39.8177.7-74.2178.463.500113.1M1844 F1851 T1871 L1872 V1873 G1878 M1879 W1912 L1934M1844-M1875 HydrophobicContact CG-CE 4.39Å; M1844-M1875 HydrophobicContact SD-CB 3.97Å; M1844-M1875 HydrophobicContact SD-CE 4.01Å; F1851-M1875 HydrophobicContact CD1-CE 4.18Å; F1851-M1875 HydrophobicContact CD1-SD 3.76Å; F1851-M1875 HydrophobicContact CE1-CE 3.54Å; F1851-M1875 HydrophobicContact CE1-SD 3.76Å; F1851-M1875 HydrophobicContact CZ-CE 3.94Å; T1871-M1875 WeakPolarHBondContact O-CB 3.36Å; T1871-M1875 VanDerWaalsContact O-CG 3.23Å; T1871-M1875 WeakPolarHBondContact O-CG 3.28Å; T1871-M1875 PolarHBondContact O-N 3.28Å; L1872-M1875 PolarHBondContact O-N 2.78Å; V1873-M1875 VanDerWaalsContact C-N 3.34Å; V1873-M1875 PolarHBondContact O-N 3.01Å; M1875-G1878 PolarHBondContact O-N 3.24Å; M1875-M1879 WeakPolarHBondContact O-CB 3.28Å; M1875-M1879 WeakPolarHBondContact O-CG 3.46Å; M1875-M1879 PolarHBondContact O-N 2.92Å; M1875-W1912 HydrophobicContact CG-CZ2 4.29Å; M1875-W1912 PolarHBondContact SD-NE1 3.19Å; M1875-L1934 HydrophobicContact CE-CD1 3.57Å
1876L85.5Confident82.5Confident56 Ų5658.9 Ų58.929%0.29333%0.33SS..Hα-helixtrans-68.6-46.4179.8-163.8159.2000110.8F1841 L1872 V1873 M1879 T1880F1841-L1876 HydrophobicContact CE2-CD1 4.38Å; F1841-L1876 HydrophobicContact CE2-CD2 3.7Å; F1841-L1876 HydrophobicContact CE2-CG 3.77Å; F1841-L1876 HydrophobicContact CZ-CD1 4.38Å; F1841-L1876 HydrophobicContact CZ-CD2 4.11Å; F1841-L1876 HydrophobicContact CZ-CG 4.24Å; L1872-L1876 WeakPolarHBondContact O-CB 3.21Å; L1872-L1876 PolarHBondContact O-N 3.1Å; V1873-L1876 PolarHBondContact O-N 3.37Å; L1876-M1879 PolarHBondContact O-N 2.89Å; L1876-T1880 HydrophobicContact CD2-CG2 4.18Å; L1876-T1880 WeakPolarHBondContact O-CG2 3.34Å; L1876-T1880 PolarHBondContact O-N 3.47Å; L1876-T1880 PolarHBondContact O-OG1 2.94Å
1877V86.9Confident83.7Confident74 Ų7456 Ų5645%0.44830%0.302SS..Hα-helixtrans-64.2-42174.2174.30000111.3V1873 M1879 T1880 L1881V1873-V1877 HydrophobicContact CG1-CG2 4.44Å; V1873-V1877 WeakPolarHBondContact O-CB 3.43Å; V1873-V1877 WeakPolarHBondContact O-CG2 3.3Å; V1873-V1877 PolarHBondContact O-N 3.41Å; V1877-M1879 VanDerWaalsContact C-N 3.31Å; V1877-M1879 PolarHBondContact O-N 3.26Å; V1877-T1880 PolarHBondContact O-N 3.39Å; V1877-T1880 PolarHBondContact O-OG1 3.22Å; V1877-T1880 VanDerWaalsContact O-OG1 3.05Å; V1877-L1881 HydrophobicContact CG1-CD1 4.02Å; V1877-L1881 WeakPolarHBondContact O-CB 3.38Å; V1877-L1881 VanDerWaalsContact O-CG 3.3Å; V1877-L1881 WeakPolarHBondContact O-CG 3.39Å; V1877-L1881 PolarHBondContact O-N 2.96Å
1878G87.1Confident84.8Confident37 Ų3748.7 Ų48.738%0.38128%0.279SS..Hα-helixtrans-60.6-39.4175.800000112.7V1874 M1875 A1882V1874-G1878 PolarHBondContact O-N 3.4Å; M1875-G1878 PolarHBondContact O-N 3.24Å; G1878-A1882 VanDerWaalsContact O-CB 3.31Å; G1878-A1882 WeakPolarHBondContact O-CB 3.49Å; G1878-A1882 PolarHBondContact O-N 3.06Å
1879M88.5Confident85.8Confident22 Ų2244.7 Ų44.711%0.10826%0.259CS..Hα-helixtrans-77.8-34.3179.1-78.6-72.2-61.700113.8D1837 C1840 M1844 M1875 L1876 V1877 A1882 I1883D1837-M1879 HydrophobicContact CB-CE 4.49Å; C1840-M1879 HydrophobicContact CB-CE 3.69Å; M1844-M1879 HydrophobicContact CE-CB 3.65Å; M1844-M1879 HydrophobicContact CE-CG 3.57Å; M1844-M1879 HydrophobicContact SD-CG 3.95Å; M1875-M1879 WeakPolarHBondContact O-CB 3.28Å; M1875-M1879 WeakPolarHBondContact O-CG 3.46Å; M1875-M1879 PolarHBondContact O-N 2.92Å; L1876-M1879 PolarHBondContact O-N 2.89Å; V1877-M1879 VanDerWaalsContact C-N 3.31Å; V1877-M1879 PolarHBondContact O-N 3.26Å; M1879-A1882 PolarHBondContact O-N 3.02Å; M1879-I1883 VanDerWaalsContact O-CG1 3.28Å; M1879-I1883 WeakPolarHBondContact O-CG1 3.34Å; M1879-I1883 PolarHBondContact O-N 3.26Å
1880T87.2Confident86.6Confident51 Ų5144.2 Ų44.231%0.31325%0.254SS..Hα-helixtrans-65.4-41.8171.753.80000111F1841 L1876 V1877 I1883 I1884F1841-T1880 HydrophobicContact CD2-CG2 4.37Å; F1841-T1880 HydrophobicContact CE2-CG2 3.79Å; L1876-T1880 HydrophobicContact CD2-CG2 4.18Å; L1876-T1880 WeakPolarHBondContact O-CG2 3.34Å; L1876-T1880 PolarHBondContact O-N 3.47Å; L1876-T1880 PolarHBondContact O-OG1 2.94Å; V1877-T1880 PolarHBondContact O-N 3.39Å; V1877-T1880 PolarHBondContact O-OG1 3.22Å; V1877-T1880 VanDerWaalsContact O-OG1 3.05Å; T1880-I1883 PolarHBondContact O-N 3.27Å; T1880-I1884 VanDerWaalsContact O-CG1 3.3Å; T1880-I1884 WeakPolarHBondContact O-CG1 3.19Å; T1880-I1884 PolarHBondContact O-N 2.92Å
1881L88.4Confident86.8Confident95 Ų9540.7 Ų40.750%0.49723%0.232SC..Hα-helixtrans-61.1-43.7171.6-70.6171.4000111.9V1877 I1883 I1884 I1885V1877-L1881 HydrophobicContact CG1-CD1 4.02Å; V1877-L1881 WeakPolarHBondContact O-CB 3.38Å; V1877-L1881 VanDerWaalsContact O-CG 3.3Å; V1877-L1881 WeakPolarHBondContact O-CG 3.39Å; V1877-L1881 PolarHBondContact O-N 2.96Å; L1881-I1883 VanDerWaalsContact C-N 3.33Å; L1881-I1883 PolarHBondContact O-N 3.38Å; L1881-I1884 PolarHBondContact O-N 3.15Å; L1881-I1885 WeakPolarHBondContact O-CB 3.31Å; L1881-I1885 VanDerWaalsContact O-CG1 3.28Å; L1881-I1885 WeakPolarHBondContact O-CG1 3.34Å; L1881-I1885 PolarHBondContact O-N 2.74Å
1882A88.9Confident87Confident6 Ų647.6 Ų47.65%0.0526%0.257CS..Hα-helixtrans-60.1-40.5176.800000112.6G1878 M1879 I1885 D1886 Y1901 M1905G1878-A1882 VanDerWaalsContact O-CB 3.31Å; G1878-A1882 WeakPolarHBondContact O-CB 3.49Å; G1878-A1882 PolarHBondContact O-N 3.06Å; M1879-A1882 PolarHBondContact O-N 3.02Å; A1882-I1885 PolarHBondContact O-N 3.24Å; A1882-D1886 WeakPolarHBondContact O-CB 3.37Å; A1882-D1886 PolarHBondContact O-N 3.4Å; A1882-Y1901 PolarHBondContact O-OH 3.26Å; A1882-M1905 HydrophobicContact CB-CE 4.25Å
1883I89.4Confident87.1Confident28 Ų2850.5 Ų50.514%0.14427%0.268CS..Hα-helixtrans-65.6-42.6175.5-69.7164.4000111.4F1834 D1837 M1879 T1880 L1881 D1886 R1887F1834-I1883 HydrophobicContact CD2-CG2 4.13Å; F1834-I1883 HydrophobicContact CE2-CG2 3.9Å; D1837-I1883 HydrophobicContact CB-CD1 4.17Å; D1837-I1883 HydrophobicContact CB-CG1 3.94Å; M1879-I1883 VanDerWaalsContact O-CG1 3.28Å; M1879-I1883 WeakPolarHBondContact O-CG1 3.34Å; M1879-I1883 PolarHBondContact O-N 3.26Å; T1880-I1883 PolarHBondContact O-N 3.27Å; L1881-I1883 VanDerWaalsContact C-N 3.33Å; L1881-I1883 PolarHBondContact O-N 3.38Å; I1883-D1886 PolarHBondContact O-N 2.92Å; I1883-R1887 PolarHBondContact O-N 3.36Å
1884I89.5Confident87.4Confident59 Ų5949.2 Ų49.230%0.30326%0.263SS..Hα-helixtrans-64.1-43.3177.4-66.2165.1000110.7T1880 L1881 R1887 A1888 I1990T1880-I1884 VanDerWaalsContact O-CG1 3.3Å; T1880-I1884 WeakPolarHBondContact O-CG1 3.19Å; T1880-I1884 PolarHBondContact O-N 2.92Å; L1881-I1884 PolarHBondContact O-N 3.15Å; I1884-R1887 PolarHBondContact O-N 3.46Å; I1884-A1888 WeakPolarHBondContact O-CB 3.28Å; I1884-A1888 PolarHBondContact O-N 2.88Å; I1884-I1990 HydrophobicContact CG1-CD1 3.97Å; I1884-I1990 HydrophobicContact CG2-CD1 4.49Å
1885I90.1Very high87.4Confident84 Ų8447.1 Ų47.143%0.43125%0.25SS..Hα-helixtrans-64.4-40.7176.6-68.5165.3000110.9L1881 A1882 A1888 L1889 Y1901L1881-I1885 WeakPolarHBondContact O-CB 3.31Å; L1881-I1885 VanDerWaalsContact O-CG1 3.28Å; L1881-I1885 WeakPolarHBondContact O-CG1 3.34Å; L1881-I1885 PolarHBondContact O-N 2.74Å; A1882-I1885 PolarHBondContact O-N 3.24Å; I1885-A1888 WeakPolarHBondContact O-CB 3.46Å; I1885-A1888 PolarHBondContact O-N 3.45Å; I1885-L1889 HydrophobicContact CG2-CD1 4.06Å; I1885-L1889 HydrophobicContact CG2-CG 4.42Å; I1885-L1889 WeakPolarHBondContact O-CG 3.26Å; I1885-L1889 PolarHBondContact O-N 3.25Å; I1885-Y1901 HydrophobicContact CB-CE2 4.49Å; I1885-Y1901 HydrophobicContact CG2-CD2 3.87Å; I1885-Y1901 HydrophobicContact CG2-CE2 3.98Å
1886D90.3Very high87.6Confident2 Ų250 Ų501%0.01127%0.268CS..Hα-helixtrans-64.5-45.1176.4-161.83.6000111.9A1882 I1883 A1888 L1889 Y1890 K1898 Y1941A1882-D1886 WeakPolarHBondContact O-CB 3.37Å; A1882-D1886 PolarHBondContact O-N 3.4Å; I1883-D1886 PolarHBondContact O-N 2.92Å; D1886-A1888 VanDerWaalsContact C-N 3.28Å; D1886-A1888 PolarHBondContact O-N 3.11Å; D1886-L1889 PolarHBondContact O-N 3.09Å; D1886-Y1890 WeakPolarHBondContact O-CB 3.27Å; D1886-Y1890 PolarHBondContact O-N 3.44Å; D1886-K1898 IonicContact OD1-NZ 2.67Å; D1886-K1898 PolarHBondContact OD1-NZ 3.17Å; D1886-K1898 IonicContact OD2-NZ 2.83Å; D1886-K1898 PolarHBondContact OD2-NZ 3.47Å; D1886-Y1941 PolarHBondContact OD2-OH 3.26Å
1887R88.9Confident87.7Confident45 Ų4548.2 Ų48.217%0.1726%0.264CS..Hα-helixtrans-59.2-40.2174.2-173.559.7174.2177.2-2.8111.6Y1830 I1883 I1884 Y1890 L1891 I1990 D1991Y1830-R1887 WeakPolarHBondContact OH-CA 3.38Å; Y1830-R1887 WeakPolarHBondContact OH-CB 3.43Å; Y1830-R1887 WeakPolarHBondContact OH-CD 3.46Å; I1883-R1887 PolarHBondContact O-N 3.36Å; I1884-R1887 PolarHBondContact O-N 3.46Å; R1887-Y1890 PolarHBondContact O-N 3.5Å; R1887-L1891 HydrophobicContact CG-CD1 4.09Å; R1887-L1891 WeakPolarHBondContact O-CG 3.27Å; R1887-L1891 PolarHBondContact O-N 3.13Å; R1887-I1990 HydrophobicContact CB-CG2 4.29Å; R1887-I1990 HydrophobicContact CG-CG2 3.64Å; R1887-D1991 IonicContact CZ-OD1 3.59Å; R1887-D1991 IonicContact NE-OD1 3.43Å; R1887-D1991 PolarHBondContact NE-OD1 3.29Å; R1887-D1991 IonicContact NH2-OD1 3.61Å; R1887-D1991 PolarHBondContact NH2-OD1 3.29Å; R1887-D1991 IonicContact NH2-OD2 3.21Å; R1887-D1991 PolarHBondContact NH2-OD2 3.21Å
1888A87.5Confident87.8Confident21 Ų2144.7 Ų44.717%0.17424%0.243CC..Hα-helixtrans-64.6-45.6176.400000112.6I1884 I1885 D1886 Y1890 L1891 R1892 W1994I1884-A1888 WeakPolarHBondContact O-CB 3.28Å; I1884-A1888 PolarHBondContact O-N 2.88Å; I1885-A1888 WeakPolarHBondContact O-CB 3.46Å; I1885-A1888 PolarHBondContact O-N 3.45Å; D1886-A1888 VanDerWaalsContact C-N 3.28Å; D1886-A1888 PolarHBondContact O-N 3.11Å; A1888-Y1890 VanDerWaalsContact C-N 3.33Å; A1888-Y1890 PolarHBondContact O-N 3.26Å; A1888-L1891 PolarHBondContact O-N 3.26Å; A1888-R1892 VanDerWaalsContact O-CB 3.32Å; A1888-R1892 WeakPolarHBondContact O-CB 3.27Å; A1888-R1892 WeakPolarHBondContact O-CG 3.41Å; A1888-R1892 PolarHBondContact O-N 3.35Å; A1888-W1994 HydrophobicContact CB-CG 4.42Å
1889L89.3Confident87.9Confident31 Ų3144.3 Ų44.316%0.16223%0.231CC..Hα-helixtrans-64.4-36.9177.4-72.8173.4000112.3I1885 D1886 K1893 S1894 K1898 Y1901I1885-L1889 HydrophobicContact CG2-CD1 4.06Å; I1885-L1889 HydrophobicContact CG2-CG 4.42Å; I1885-L1889 WeakPolarHBondContact O-CG 3.26Å; I1885-L1889 PolarHBondContact O-N 3.25Å; D1886-L1889 PolarHBondContact O-N 3.09Å; L1889-K1893 PolarHBondContact O-N 3.15Å; L1889-S1894 PolarHBondContact O-N 3.01Å; L1889-S1894 VanDerWaalsContact O-N 3.16Å; L1889-K1898 HydrophobicContact CD1-CD 4.48Å; L1889-Y1901 HydrophobicContact CD1-CD2 4.28Å; L1889-Y1901 HydrophobicContact CD1-CG 4.03Å
1890Y88Confident88Confident11 Ų1148 Ų484%0.04325%0.251CS..Hα-helixtrans-64.6-52.7173.6174.1-103000112.1D1828 Y1830 D1886 R1887 A1888 R1892 K1893 Y1953 C1957D1828-Y1890 WeakPolarHBondContact OD2-CE2 3.35Å; D1828-Y1890 PolarHBondContact OD2-OH 3.16Å; Y1830-Y1890 VanDerWaalsContact CB-CD2 3.42Å; Y1830-Y1890 AromaticContact CD1-CD1 3.99Å; Y1830-Y1890 HydrophobicContact CD1-CD1 3.99Å; Y1830-Y1890 HydrophobicContact CD1-CD2 4.21Å; Y1830-Y1890 HydrophobicContact CD1-CE1 4.03Å; Y1830-Y1890 HydrophobicContact CD1-CE2 4.23Å; Y1830-Y1890 HydrophobicContact CD1-CG 4.06Å; Y1830-Y1890 HydrophobicContact CD2-CD1 4.26Å; Y1830-Y1890 AromaticContact CD2-CD2 3.64Å; Y1830-Y1890 HydrophobicContact CD2-CD2 3.64Å; Y1830-Y1890 HydrophobicContact CD2-CE2 4.36Å; Y1830-Y1890 AromaticContact CD2-CG 3.55Å; Y1830-Y1890 HydrophobicContact CD2-CG 3.55Å; Y1830-Y1890 HydrophobicContact CE1-CD1 4.28Å; Y1830-Y1890 HydrophobicContact CE2-CD1 4.49Å; Y1830-Y1890 HydrophobicContact CE2-CG 4.01Å; Y1830-Y1890 HydrophobicContact CG-CD1 4.02Å; Y1830-Y1890 AromaticContact CG-CD2 3.45Å; Y1830-Y1890 HydrophobicContact CG-CD2 3.45Å; Y1830-Y1890 VanDerWaalsContact CG-CD2 3.45Å; Y1830-Y1890 HydrophobicContact CG-CE1 4.24Å; Y1830-Y1890 AromaticContact CG-CE2 3.71Å; Y1830-Y1890 HydrophobicContact CG-CE2 3.71Å; Y1830-Y1890 AromaticContact CG-CG 3.6Å; Y1830-Y1890 HydrophobicContact CG-CG 3.6Å; D1886-Y1890 WeakPolarHBondContact O-CB 3.27Å; D1886-Y1890 PolarHBondContact O-N 3.44Å; R1887-Y1890 PolarHBondContact O-N 3.5Å; A1888-Y1890 VanDerWaalsContact C-N 3.33Å; A1888-Y1890 PolarHBondContact O-N 3.26Å; Y1890-R1892 VanDerWaalsContact C-N 3.28Å; Y1890-R1892 PolarHBondContact O-N 3.04Å; Y1890-K1893 WeakPolarHBondContact O-CA 3.26Å; Y1890-K1893 PolarHBondContact O-N 3.37Å; Y1890-Y1953 HydrophobicContact CD2-CD1 4.01Å; Y1890-Y1953 AromaticContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CE2-CD1 4.37Å; Y1890-Y1953 HydrophobicContact CE2-CE1 4.49Å; Y1890-C1957 HydrophobicContact CE1-CB 4.43Å
1891L83.5Confident88.2Confident36 Ų3646.5 Ų46.519%0.18824%0.239CC..Hα-helixtrans-62.7-35179.3-69.1172.8000112.1R1887 A1888 K1893 W1994R1887-L1891 HydrophobicContact CG-CD1 4.09Å; R1887-L1891 WeakPolarHBondContact O-CG 3.27Å; R1887-L1891 PolarHBondContact O-N 3.13Å; A1888-L1891 PolarHBondContact O-N 3.26Å; L1891-K1893 VanDerWaalsContact C-N 3.3Å; L1891-K1893 PolarHBondContact O-N 2.94Å; L1891-W1994 HydrophobicContact CB-CB 4.24Å; L1891-W1994 HydrophobicContact CD1-CB 3.92Å
1892R85.6Confident88.3Confident158 Ų15842.1 Ų42.160%0.59622%0.216SC*.THydrogen-bonded Turntrans-77.8-6171.8-70.4-67.1-160.5-172.81.6114.5A1888 Y1890 S1894A1888-R1892 VanDerWaalsContact O-CB 3.32Å; A1888-R1892 WeakPolarHBondContact O-CB 3.27Å; A1888-R1892 WeakPolarHBondContact O-CG 3.41Å; A1888-R1892 PolarHBondContact O-N 3.35Å; Y1890-R1892 VanDerWaalsContact C-N 3.28Å; Y1890-R1892 PolarHBondContact O-N 3.04Å; R1892-S1894 PolarHBondContact O-N 3.32Å; R1892-S1894 VanDerWaalsContact O-N 3.17Å
1893K85.2Confident88.3Confident77 Ų7745 Ų4534%0.33523%0.233SC..THydrogen-bonded Turntrans55.228179.1-58.6170.4-177.3168.90114.6L1889 Y1890 L1891 V1895 E1955 C1957L1889-K1893 PolarHBondContact O-N 3.15Å; Y1890-K1893 WeakPolarHBondContact O-CA 3.26Å; Y1890-K1893 PolarHBondContact O-N 3.37Å; L1891-K1893 VanDerWaalsContact C-N 3.3Å; L1891-K1893 PolarHBondContact O-N 2.94Å; K1893-V1895 PolarHBondContact O-N 3.24Å; K1893-E1955 PolarHBondContact NZ-O 3.09Å; K1893-C1957 WeakPolarHBondContact CE-SG 3.25Å
1894S87.2Confident88.4Confident45 Ų4549 Ų4932%0.31525%0.254SS..  trans-89.299.1-171.8-1760000113.6L1889 R1892 G1897 K1898L1889-S1894 PolarHBondContact O-N 3.01Å; L1889-S1894 VanDerWaalsContact O-N 3.16Å; R1892-S1894 PolarHBondContact O-N 3.32Å; R1892-S1894 VanDerWaalsContact O-N 3.17Å; S1894-G1897 PolarHBondContact O-N 2.91Å; S1894-G1897 PolarHBondContact OG-N 3.39Å; S1894-K1898 WeakPolarHBondContact O-CB 3.29Å; S1894-K1898 PolarHBondContact O-N 3.43Å
1895V84.7Confident88.3Confident30 Ų3047.9 Ų47.918%0.18225%0.248CC..Hα-helixtrans-65.2-38.4176.7-172.40000112F1819 K1893 K1898 L1899 I1949 Y1953F1819-V1895 HydrophobicContact CE1-CG1 4.31Å; K1893-V1895 PolarHBondContact O-N 3.24Å; V1895-K1898 WeakPolarHBondContact O-CB 3.49Å; V1895-K1898 PolarHBondContact O-N 3.49Å; V1895-L1899 PolarHBondContact O-N 2.99Å; V1895-I1949 HydrophobicContact CG1-CG2 4.22Å; V1895-Y1953 HydrophobicContact CG2-CD2 3.9Å; V1895-Y1953 HydrophobicContact CG2-CE2 4.32Å
1896V87.1Confident88.4Confident81 Ų8143.9 Ų43.949%0.49123%0.228SC..Hα-helixtrans-65.5-46.1178179.90000110.8F1819 K1898 L1899 I1900F1819-V1896 HydrophobicContact CE1-CG2 4.35Å; F1819-V1896 HydrophobicContact CZ-CG2 4.15Å; V1896-K1898 PolarHBondContact O-N 2.93Å; V1896-L1899 PolarHBondContact O-N 3.39Å; V1896-I1900 HydrophobicContact CG1-CD1 4.13Å; V1896-I1900 WeakPolarHBondContact O-CG1 3.42Å; V1896-I1900 PolarHBondContact O-N 2.74Å; V1896-I1900 VanDerWaalsContact O-N 3.08Å
1897G87.8Confident88.3Confident19 Ų1945.9 Ų45.920%0.19625%0.245CC..Hα-helixtrans-59.4-37.5173.600000111.9S1894 Y1901S1894-G1897 PolarHBondContact O-N 2.91Å; S1894-G1897 PolarHBondContact OG-N 3.39Å; G1897-Y1901 VanDerWaalsContact O-CB 3.25Å; G1897-Y1901 WeakPolarHBondContact O-CB 3.35Å; G1897-Y1901 PolarHBondContact O-N 2.96Å
1898K90.2Very high88.2Confident1 Ų148.9 Ų48.90%0.00426%0.259CS..Hα-helixtrans-67.6-38.6176.6-168.164.3-177.2176.50113.6M1833 D1886 L1889 S1894 V1895 V1896 Y1901 Q1902 Y1941 S1945 I1949 Y1953M1833-K1898 VanDerWaalsContact CE-CE 3.46Å; M1833-K1898 VanDerWaalsContact CE-NZ 3.32Å; D1886-K1898 IonicContact OD1-NZ 2.67Å; D1886-K1898 PolarHBondContact OD1-NZ 3.17Å; D1886-K1898 IonicContact OD2-NZ 2.83Å; D1886-K1898 PolarHBondContact OD2-NZ 3.47Å; L1889-K1898 HydrophobicContact CD1-CD 4.48Å; S1894-K1898 WeakPolarHBondContact O-CB 3.29Å; S1894-K1898 PolarHBondContact O-N 3.43Å; V1895-K1898 WeakPolarHBondContact O-CB 3.49Å; V1895-K1898 PolarHBondContact O-N 3.49Å; V1896-K1898 PolarHBondContact O-N 2.93Å; K1898-Y1901 HydrophobicContact CD-CD1 4.28Å; K1898-Q1902 WeakPolarHBondContact O-CB 3.42Å; K1898-Q1902 PolarHBondContact O-N 3.49Å; K1898-Y1941 PolarHBondContact NZ-OH 3.06Å; K1898-S1945 VanDerWaalsContact CE-OG 3.24Å; K1898-S1945 WeakPolarHBondContact CE-OG 3.38Å; K1898-I1949 HydrophobicContact CB-CG1 4.44Å; K1898-I1949 HydrophobicContact CG-CD1 4.2Å; K1898-I1949 HydrophobicContact CG-CG1 3.97Å; K1898-Y1953 WeakPolarHBondContact CG-OH 3.18Å
1899L89.2Confident88.2Confident28 Ų2848.5 Ų48.515%0.14725%0.254CS..Hα-helixtrans-65.4-46175-17964.5000111.6L1645 L1818 F1819 V1895 V1896 Y1901 Q1902 V1903 I1949L1645-L1899 HydrophobicContact CD1-CD1 4.43Å; L1818-L1899 HydrophobicContact CD2-CD2 4.38Å; F1819-L1899 HydrophobicContact CE1-CD2 4.26Å; F1819-L1899 HydrophobicContact CZ-CD2 3.77Å; V1895-L1899 PolarHBondContact O-N 2.99Å; V1896-L1899 PolarHBondContact O-N 3.39Å; L1899-Y1901 PolarHBondContact O-N 3.25Å; L1899-Q1902 PolarHBondContact O-N 2.98Å; L1899-V1903 WeakPolarHBondContact O-CG2 3.49Å; L1899-V1903 PolarHBondContact O-N 3.43Å; L1899-I1949 HydrophobicContact CB-CD1 4.3Å; L1899-I1949 HydrophobicContact CD1-CD1 4.17Å
1900I90.6Very high88.1Confident100 Ų10047.8 Ų47.851%0.51325%0.25SC..Hα-helixtrans-59.9-48.2176.3-66168000110.1V1896 Q1902 V1903 L1904V1896-I1900 HydrophobicContact CG1-CD1 4.13Å; V1896-I1900 WeakPolarHBondContact O-CG1 3.42Å; V1896-I1900 PolarHBondContact O-N 2.74Å; V1896-I1900 VanDerWaalsContact O-N 3.08Å; I1900-Q1902 VanDerWaalsContact C-N 3.33Å; I1900-Q1902 PolarHBondContact O-N 2.95Å; I1900-V1903 PolarHBondContact O-N 3.4Å; I1900-L1904 HydrophobicContact CG2-CD1 3.88Å; I1900-L1904 HydrophobicContact CG2-CG 4.44Å; I1900-L1904 WeakPolarHBondContact O-CG 3.48Å; I1900-L1904 PolarHBondContact O-N 3.37Å
1901Y91.1Very high88.1Confident20 Ų2051.6 Ų51.68%0.07827%0.27CS..Hα-helixtrans-56.4-44.4174.7172.4-90.2000112.1A1882 I1885 L1889 G1897 K1898 L1899 L1904 M1905 Y1941A1882-Y1901 PolarHBondContact O-OH 3.26Å; I1885-Y1901 HydrophobicContact CB-CE2 4.49Å; I1885-Y1901 HydrophobicContact CG2-CD2 3.87Å; I1885-Y1901 HydrophobicContact CG2-CE2 3.98Å; L1889-Y1901 HydrophobicContact CD1-CD2 4.28Å; L1889-Y1901 HydrophobicContact CD1-CG 4.03Å; G1897-Y1901 VanDerWaalsContact O-CB 3.25Å; G1897-Y1901 WeakPolarHBondContact O-CB 3.35Å; G1897-Y1901 PolarHBondContact O-N 2.96Å; K1898-Y1901 HydrophobicContact CD-CD1 4.28Å; L1899-Y1901 PolarHBondContact O-N 3.25Å; Y1901-L1904 PolarHBondContact O-N 3.43Å; Y1901-M1905 HydrophobicContact CD1-CG 4.28Å; Y1901-M1905 HydrophobicContact CD2-CG 4.11Å; Y1901-M1905 HydrophobicContact CE1-CG 3.97Å; Y1901-M1905 HydrophobicContact CE2-CG 3.8Å; Y1901-M1905 HydrophobicContact CE2-SD 4.36Å; Y1901-M1905 HydrophobicContact CG-CG 4.35Å; Y1901-M1905 VanDerWaalsContact O-CB 3.29Å; Y1901-M1905 WeakPolarHBondContact O-CB 3.48Å; Y1901-M1905 VanDerWaalsContact O-CG 3.23Å; Y1901-M1905 WeakPolarHBondContact O-CG 3.27Å; Y1901-M1905 PolarHBondContact O-N 2.94Å; Y1901-Y1941 HydrophobicContact CE1-CE1 4.32Å; Y1901-Y1941 VanDerWaalsContact CE1-OH 3.3Å; Y1901-Y1941 WeakPolarHBondContact CE1-OH 2.99Å
1902Q90.4Very high88.2Confident3 Ų352 Ų521%0.01427%0.269CS..Hα-helixtrans-64.9-43.7179.1175.7156.3-17.400112.6K1898 L1899 I1900 M1905 I1906 F1942 S1945 I1949K1898-Q1902 WeakPolarHBondContact O-CB 3.42Å; K1898-Q1902 PolarHBondContact O-N 3.49Å; L1899-Q1902 PolarHBondContact O-N 2.98Å; I1900-Q1902 VanDerWaalsContact C-N 3.33Å; I1900-Q1902 PolarHBondContact O-N 2.95Å; Q1902-M1905 PolarHBondContact O-N 2.89Å; Q1902-I1906 HydrophobicContact CG-CD1 3.61Å; Q1902-I1906 HydrophobicContact CG-CG1 4.34Å; Q1902-I1906 WeakPolarHBondContact O-CB 3.31Å; Q1902-I1906 VanDerWaalsContact O-CG1 3.23Å; Q1902-I1906 WeakPolarHBondContact O-CG1 3.06Å; Q1902-I1906 PolarHBondContact O-N 3.21Å; Q1902-F1942 PolarHBondContact NE2-O 3Å; Q1902-S1945 VanDerWaalsContact OE1-C 3.26Å; Q1902-S1945 PolarHBondContact OE1-OG 2.9Å; Q1902-I1949 HydrophobicContact CB-CD1 4.15Å; Q1902-I1949 VanDerWaalsContact OE1-CD1 3.22Å
1903V89.1Confident88.2Confident66 Ų6644.8 Ų44.840%0.424%0.243SC..Hα-helixtrans-62.6-47.2177.3173.10000110.9F1641 L1899 I1900 I1906 A1907F1641-V1903 HydrophobicContact CE1-CG2 4.25Å; L1899-V1903 WeakPolarHBondContact O-CG2 3.49Å; L1899-V1903 PolarHBondContact O-N 3.43Å; I1900-V1903 PolarHBondContact O-N 3.4Å; V1903-I1906 PolarHBondContact O-N 2.83Å; V1903-A1907 WeakPolarHBondContact O-CB 3.48Å; V1903-A1907 PolarHBondContact O-N 3.35Å
1904L90.7Very high88.1Confident113 Ų11342.6 Ų42.659%0.59223%0.233SC*.Hα-helixtrans-62.5-44.8178.5-69.3174.3000112.1I1900 Y1901 A1907 F1908I1900-L1904 HydrophobicContact CG2-CD1 3.88Å; I1900-L1904 HydrophobicContact CG2-CG 4.44Å; I1900-L1904 WeakPolarHBondContact O-CG 3.48Å; I1900-L1904 PolarHBondContact O-N 3.37Å; Y1901-L1904 PolarHBondContact O-N 3.43Å; L1904-A1907 PolarHBondContact O-N 3.24Å; L1904-F1908 VanDerWaalsContact O-CB 3.27Å; L1904-F1908 WeakPolarHBondContact O-CB 3.36Å; L1904-F1908 PolarHBondContact O-N 3.41Å
1905M88.9Confident88Confident34 Ų3444 Ų4417%0.16724%0.236CC..Hα-helixtrans-69.9-34.8-179.5-71.9-61.9-66.900113.1A1882 Y1901 Q1902 L1909 F1942A1882-M1905 HydrophobicContact CB-CE 4.25Å; Y1901-M1905 HydrophobicContact CD1-CG 4.28Å; Y1901-M1905 HydrophobicContact CD2-CG 4.11Å; Y1901-M1905 HydrophobicContact CE1-CG 3.97Å; Y1901-M1905 HydrophobicContact CE2-CG 3.8Å; Y1901-M1905 HydrophobicContact CE2-SD 4.36Å; Y1901-M1905 HydrophobicContact CG-CG 4.35Å; Y1901-M1905 VanDerWaalsContact O-CB 3.29Å; Y1901-M1905 WeakPolarHBondContact O-CB 3.48Å; Y1901-M1905 VanDerWaalsContact O-CG 3.23Å; Y1901-M1905 WeakPolarHBondContact O-CG 3.27Å; Y1901-M1905 PolarHBondContact O-N 2.94Å; Q1902-M1905 PolarHBondContact O-N 2.89Å; M1905-L1909 WeakPolarHBondContact O-CB 3.41Å; M1905-L1909 PolarHBondContact O-N 2.89Å; M1905-F1942 HydrophobicContact CB-CE1 3.68Å; M1905-F1942 HydrophobicContact CB-CZ 3.86Å
1906I90.8Very high88Confident0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-65.3-47.6173.6-72168.4000110.1L1637 L1640 F1641 Q1902 V1903 L1909 H1910 F1942L1637-I1906 HydrophobicContact CD2-CG2 4.29Å; L1640-I1906 HydrophobicContact CB-CD1 4.32Å; F1641-I1906 HydrophobicContact CD1-CD1 4.41Å; F1641-I1906 HydrophobicContact CE1-CB 4.3Å; F1641-I1906 HydrophobicContact CE1-CD1 3.85Å; F1641-I1906 HydrophobicContact CE1-CG2 4.07Å; F1641-I1906 HydrophobicContact CE2-CG2 4.14Å; F1641-I1906 HydrophobicContact CZ-CB 4.1Å; F1641-I1906 HydrophobicContact CZ-CD1 4.43Å; F1641-I1906 HydrophobicContact CZ-CG2 3.54Å; Q1902-I1906 HydrophobicContact CG-CD1 3.61Å; Q1902-I1906 HydrophobicContact CG-CG1 4.34Å; Q1902-I1906 WeakPolarHBondContact O-CB 3.31Å; Q1902-I1906 VanDerWaalsContact O-CG1 3.23Å; Q1902-I1906 WeakPolarHBondContact O-CG1 3.06Å; Q1902-I1906 PolarHBondContact O-N 3.21Å; V1903-I1906 PolarHBondContact O-N 2.83Å; I1906-L1909 PolarHBondContact O-N 3.03Å; I1906-H1910 PolarHBondContact O-N 3.28Å; I1906-H1910 VanDerWaalsContact O-N 3.09Å; I1906-H1910 PolarHBondContact O-ND1 3.04Å; I1906-F1942 HydrophobicContact CD1-CB 4.31Å; I1906-F1942 HydrophobicContact CD1-CD1 4.34Å; I1906-F1942 HydrophobicContact CD1-CG 4.17Å; I1906-F1942 HydrophobicContact CG1-CB 4.33Å; I1906-F1942 HydrophobicContact CG1-CD1 3.78Å; I1906-F1942 HydrophobicContact CG1-CD2 3.67Å; I1906-F1942 HydrophobicContact CG1-CE1 3.93Å; I1906-F1942 HydrophobicContact CG1-CE2 3.8Å; I1906-F1942 HydrophobicContact CG1-CG 3.67Å; I1906-F1942 HydrophobicContact CG1-CZ 3.94Å
1907A87.9Confident87.8Confident45 Ų4541 Ų4137%0.37222%0.218SC..Hα-helixtrans-61.9-48.7178.600000111.7V1903 L1904 L1909 H1910 I1911V1903-A1907 WeakPolarHBondContact O-CB 3.48Å; V1903-A1907 PolarHBondContact O-N 3.35Å; L1904-A1907 PolarHBondContact O-N 3.24Å; A1907-L1909 PolarHBondContact O-N 3.2Å; A1907-H1910 PolarHBondContact O-N 2.99Å; A1907-I1911 WeakPolarHBondContact O-CD1 3.43Å; A1907-I1911 WeakPolarHBondContact O-CG1 3.24Å; A1907-I1911 PolarHBondContact O-N 3.29Å; A1907-I1911 VanDerWaalsContact O-N 3.09Å
1908F88.2Confident87.6Confident108 Ų10840.4 Ų40.447%0.47421%0.211SC..Hα-helixtrans-56.6-47.4176.4178.8-100.7000111.7L1904 I1911 W1912L1904-F1908 VanDerWaalsContact O-CB 3.27Å; L1904-F1908 WeakPolarHBondContact O-CB 3.36Å; L1904-F1908 PolarHBondContact O-N 3.41Å; F1908-I1911 PolarHBondContact O-N 3.33Å; F1908-W1912 HydrophobicContact CE1-CB 4.42Å; F1908-W1912 HydrophobicContact CE1-CD2 4.46Å; F1908-W1912 HydrophobicContact CE1-CG 4.43Å; F1908-W1912 HydrophobicContact CE2-CD2 4.46Å; F1908-W1912 AromaticContact CE2-CE3 3.77Å; F1908-W1912 HydrophobicContact CE2-CE3 3.77Å; F1908-W1912 HydrophobicContact CE2-CZ3 4.28Å; F1908-W1912 HydrophobicContact CZ-CB 4.49Å; F1908-W1912 AromaticContact CZ-CD2 3.92Å; F1908-W1912 HydrophobicContact CZ-CD2 3.92Å; F1908-W1912 AromaticContact CZ-CE3 3.61Å; F1908-W1912 HydrophobicContact CZ-CE3 3.61Å; F1908-W1912 HydrophobicContact CZ-CG 4.31Å; F1908-W1912 HydrophobicContact CZ-CZ3 4.15Å; F1908-W1912 WeakPolarHBondContact O-CB 3.43Å; F1908-W1912 PolarHBondContact O-N 3.46Å
1909L87.2Confident87.3Confident13 Ų1344.3 Ų44.37%0.06823%0.232CC..Hα-helixtrans-66.6-39.8-177.6-179.8139.8000113.2M1905 I1906 A1907 W1912 V1913 L1934 Y1935 K1938 F1942M1905-L1909 WeakPolarHBondContact O-CB 3.41Å; M1905-L1909 PolarHBondContact O-N 2.89Å; I1906-L1909 PolarHBondContact O-N 3.03Å; A1907-L1909 PolarHBondContact O-N 3.2Å; L1909-W1912 PolarHBondContact O-N 3.06Å; L1909-V1913 HydrophobicContact CG-CG2 4.23Å; L1909-V1913 WeakPolarHBondContact O-CB 3.24Å; L1909-V1913 WeakPolarHBondContact O-CG2 3.4Å; L1909-V1913 PolarHBondContact O-N 2.93Å; L1909-L1934 HydrophobicContact CD1-CD2 4.31Å; L1909-Y1935 HydrophobicContact CD2-CD2 3.36Å; L1909-Y1935 HydrophobicContact CD2-CE2 3.57Å; L1909-Y1935 HydrophobicContact CD2-CG 4.4Å; L1909-K1938 HydrophobicContact CD1-CB 3.68Å; L1909-K1938 HydrophobicContact CD1-CG 3.44Å; L1909-K1938 VanDerWaalsContact CD1-CG 3.44Å; L1909-F1942 HydrophobicContact CB-CE2 4.33Å; L1909-F1942 HydrophobicContact CB-CZ 4.49Å; L1909-F1942 HydrophobicContact CD1-CE2 4.06Å; L1909-F1942 HydrophobicContact CD1-CZ 4.41Å; L1909-F1942 HydrophobicContact CD2-CE2 4.27Å; L1909-F1942 HydrophobicContact CG-CE2 4.47Å
1910H87.2Confident86.9Confident15 Ų1547.3 Ų47.37%0.06925%0.246CC..Hα-helixtrans-67.1-43.7176.8-73.778.2000111.6I1906 A1907 F1914 Y1935I1906-H1910 PolarHBondContact O-N 3.28Å; I1906-H1910 VanDerWaalsContact O-N 3.09Å; I1906-H1910 PolarHBondContact O-ND1 3.04Å; A1907-H1910 PolarHBondContact O-N 2.99Å; H1910-F1914 HydrophobicContact CB-CD2 4.45Å; H1910-F1914 AromaticContact CD2-CE2 3.95Å; H1910-F1914 WeakPolarHBondContact O-CB 3.48Å; H1910-F1914 WeakPolarHBondContact O-CD2 3.45Å; H1910-F1914 PolarHBondContact O-N 3.44Å; H1910-F1914 VanDerWaalsContact O-N 3.11Å; H1910-Y1935 AromaticContact NE2-CE2 3.84Å; H1910-Y1935 AromaticContact NE2-CZ 3.86Å; H1910-Y1935 PolarHBondContact NE2-OH 3.48Å
1911I86.9Confident86.4Confident91 Ų9142.8 Ų42.847%0.46722%0.223SC..Hα-helixtrans-63.9-44.6175.8-67.8164.2000110.5A1907 F1908 L1915 V1916A1907-I1911 WeakPolarHBondContact O-CD1 3.43Å; A1907-I1911 WeakPolarHBondContact O-CG1 3.24Å; A1907-I1911 PolarHBondContact O-N 3.29Å; A1907-I1911 VanDerWaalsContact O-N 3.09Å; F1908-I1911 PolarHBondContact O-N 3.33Å; I1911-L1915 WeakPolarHBondContact O-CA 3.33Å; I1911-L1915 WeakPolarHBondContact O-CB 3.17Å; I1911-L1915 PolarHBondContact O-N 2.92Å; I1911-V1916 HydrophobicContact CG2-CG2 4.13Å; I1911-V1916 PolarHBondContact O-N 2.71Å
1912W86.6Confident85.8Confident45 Ų4549.7 Ų49.717%0.1725%0.249CC..Iπ-helixtrans-66.8-47.6-177.6-166.2-92000112.4V1874 M1875 F1908 L1909 V1916 L1917V1874-W1912 HydrophobicContact CG1-CH2 3.93Å; V1874-W1912 HydrophobicContact CG1-CZ2 4.23Å; M1875-W1912 HydrophobicContact CG-CZ2 4.29Å; M1875-W1912 PolarHBondContact SD-NE1 3.19Å; F1908-W1912 HydrophobicContact CE1-CB 4.42Å; F1908-W1912 HydrophobicContact CE1-CD2 4.46Å; F1908-W1912 HydrophobicContact CE1-CG 4.43Å; F1908-W1912 HydrophobicContact CE2-CD2 4.46Å; F1908-W1912 AromaticContact CE2-CE3 3.77Å; F1908-W1912 HydrophobicContact CE2-CE3 3.77Å; F1908-W1912 HydrophobicContact CE2-CZ3 4.28Å; F1908-W1912 HydrophobicContact CZ-CB 4.49Å; F1908-W1912 AromaticContact CZ-CD2 3.92Å; F1908-W1912 HydrophobicContact CZ-CD2 3.92Å; F1908-W1912 AromaticContact CZ-CE3 3.61Å; F1908-W1912 HydrophobicContact CZ-CE3 3.61Å; F1908-W1912 HydrophobicContact CZ-CG 4.31Å; F1908-W1912 HydrophobicContact CZ-CZ3 4.15Å; F1908-W1912 WeakPolarHBondContact O-CB 3.43Å; F1908-W1912 PolarHBondContact O-N 3.46Å; L1909-W1912 PolarHBondContact O-N 3.06Å; W1912-V1916 HydrophobicContact CD2-CB 4.44Å; W1912-V1916 HydrophobicContact CD2-CG1 4.41Å; W1912-V1916 HydrophobicContact CE3-CB 4.28Å; W1912-V1916 HydrophobicContact CE3-CG1 4.09Å; W1912-V1916 HydrophobicContact CE3-CG2 4.39Å; W1912-V1916 HydrophobicContact CH2-CG1 4.48Å; W1912-V1916 HydrophobicContact CZ3-CG1 4.12Å; W1912-L1917 WeakPolarHBondContact O-CB 3.44Å; W1912-L1917 PolarHBondContact O-N 3.38Å
1913V85.1Confident85.1Confident7 Ų754.5 Ų54.54%0.04227%0.267CS..Iπ-helixtrans-77-37-174.7175.40000113L1909 P1918 Y1935L1909-V1913 HydrophobicContact CG-CG2 4.23Å; L1909-V1913 WeakPolarHBondContact O-CB 3.24Å; L1909-V1913 WeakPolarHBondContact O-CG2 3.4Å; L1909-V1913 PolarHBondContact O-N 2.93Å; V1913-P1918 WeakPolarHBondContact O-CD 3.43Å; V1913-P1918 WeakPolarHBondContact O-CG 3.48Å; V1913-Y1935 HydrophobicContact CG1-CD2 4.33Å
1914F83.8Confident84.4Confident30 Ų3053.3 Ų53.313%0.13226%0.262CS..Iπ-helixtrans-97.8-22.2-175.2-62-64.8000114.8Q1624 L1633 H1910 A1925 Y1935Q1624-F1914 HydrophobicContact CG-CE1 4.3Å; Q1624-F1914 HydrophobicContact CG-CE2 4.1Å; Q1624-F1914 HydrophobicContact CG-CZ 3.61Å; L1633-F1914 HydrophobicContact CD1-CD2 4.14Å; L1633-F1914 HydrophobicContact CD1-CE2 4.33Å; H1910-F1914 HydrophobicContact CB-CD2 4.45Å; H1910-F1914 AromaticContact CD2-CE2 3.95Å; H1910-F1914 WeakPolarHBondContact O-CB 3.48Å; H1910-F1914 WeakPolarHBondContact O-CD2 3.45Å; H1910-F1914 PolarHBondContact O-N 3.44Å; H1910-F1914 VanDerWaalsContact O-N 3.11Å; F1914-A1925 HydrophobicContact CD1-CB 4.02Å; F1914-A1925 HydrophobicContact CE1-CB 4.36Å; F1914-Y1935 AromaticContact CE2-CD2 3.95Å; F1914-Y1935 HydrophobicContact CE2-CD2 3.95Å; F1914-Y1935 AromaticContact CE2-CE2 3.39Å; F1914-Y1935 HydrophobicContact CE2-CE2 3.39Å; F1914-Y1935 AromaticContact CE2-CZ 3.83Å; F1914-Y1935 AromaticContact CZ-CD2 3.98Å; F1914-Y1935 HydrophobicContact CZ-CD2 3.98Å; F1914-Y1935 HydrophobicContact CZ-CE1 4.34Å; F1914-Y1935 AromaticContact CZ-CE2 3.69Å; F1914-Y1935 HydrophobicContact CZ-CE2 3.69Å; F1914-Y1935 HydrophobicContact CZ-CG 4.48Å; F1914-Y1935 AromaticContact CZ-CZ 3.86Å
1915L84.1Confident83.6Confident74 Ų7448.8 Ų48.839%0.38724%0.241SC..Iπ-helixtrans-115.4-53.6-178.5-55.3174.3000112.7L1698 I1911 N1919L1698-L1915 HydrophobicContact CD1-CD2 4.41Å; I1911-L1915 WeakPolarHBondContact O-CA 3.33Å; I1911-L1915 WeakPolarHBondContact O-CB 3.17Å; I1911-L1915 PolarHBondContact O-N 2.92Å; L1915-N1919 WeakPolarHBondContact O-CB 3.37Å
1916V85.5Confident83Confident43 Ų4349.1 Ų49.126%0.26124%0.243SC..Iπ-helixtrans-73.4-51.6-173.7-177.10000111.8I1911 W1912 N1919 M1920I1911-V1916 HydrophobicContact CG2-CG2 4.13Å; I1911-V1916 PolarHBondContact O-N 2.71Å; W1912-V1916 HydrophobicContact CD2-CB 4.44Å; W1912-V1916 HydrophobicContact CD2-CG1 4.41Å; W1912-V1916 HydrophobicContact CE3-CB 4.28Å; W1912-V1916 HydrophobicContact CE3-CG1 4.09Å; W1912-V1916 HydrophobicContact CE3-CG2 4.39Å; W1912-V1916 HydrophobicContact CH2-CG1 4.48Å; W1912-V1916 HydrophobicContact CZ3-CG1 4.12Å; V1916-N1919 PolarHBondContact O-N 3.47Å; V1916-M1920 HydrophobicContact CG1-CG 4.18Å; V1916-M1920 HydrophobicContact CG1-SD 3.77Å; V1916-M1920 WeakPolarHBondContact O-CG 3.48Å; V1916-M1920 PolarHBondContact O-N 3.45Å
1917L83.7Confident82.4Confident5 Ų552.2 Ų52.23%0.02627%0.265CS..Hα-helixtrans-63.6-42.1-175.4-173.671.7000113F1851 W1912 N1919 M1920 T1921 A1931F1851-L1917 HydrophobicContact CD1-CD1 4.06Å; F1851-L1917 HydrophobicContact CD1-CD2 4.39Å; F1851-L1917 HydrophobicContact CE1-CD2 4.4Å; W1912-L1917 WeakPolarHBondContact O-CB 3.44Å; W1912-L1917 PolarHBondContact O-N 3.38Å; L1917-N1919 VanDerWaalsContact C-N 3.34Å; L1917-N1919 PolarHBondContact O-N 2.92Å; L1917-M1920 PolarHBondContact O-N 2.88Å; L1917-T1921 HydrophobicContact CD1-CG2 3.67Å; L1917-T1921 HydrophobicContact CG-CG2 4.15Å; L1917-T1921 WeakPolarHBondContact O-CB 3.41Å; L1917-T1921 WeakPolarHBondContact O-CG2 3.31Å; L1917-T1921 PolarHBondContact O-N 2.9Å; L1917-T1921 PolarHBondContact O-OG1 3.44Å; L1917-A1931 HydrophobicContact CD2-CB 3.69Å
1918P82.5Confident82.1Confident7 Ų750.5 Ų50.55%0.04525%0.249CC..Hα-helixtrans-68-33.4177.3-23.737.9000113P1692 V1913 R1922 R1923 A1925P1692-P1918 HydrophobicContact CB-CB 4.22Å; V1913-P1918 WeakPolarHBondContact O-CD 3.43Å; V1913-P1918 WeakPolarHBondContact O-CG 3.48Å; P1918-R1922 VanDerWaalsContact O-CA 3.28Å; P1918-R1922 WeakPolarHBondContact O-CA 3.5Å; P1918-R1922 PolarHBondContact O-N 2.93Å; P1918-R1923 VanDerWaalsContact CA-O 3.27Å; P1918-R1923 WeakPolarHBondContact CA-O 3.32Å; P1918-R1923 WeakPolarHBondContact CB-O 3.48Å; P1918-A1925 HydrophobicContact CG-CB 4.21Å
1919N83.5Confident81.9Confident83 Ų8352 Ų5244%0.44426%0.257SS..Hα-helixtrans-68.1-46.6174.5-17126.5000111.4L1915 V1916 L1917L1915-N1919 WeakPolarHBondContact O-CB 3.37Å; V1916-N1919 PolarHBondContact O-N 3.47Å; L1917-N1919 VanDerWaalsContact C-N 3.34Å; L1917-N1919 PolarHBondContact O-N 2.92Å
1920M82.3Confident81.9Confident91 Ų9153 Ų5345%0.44826%0.264SS..Hα-helixtrans-71.4-34.2179.8-69.7-171.177.900114.2T1871 V1916 L1917T1871-M1920 HydrophobicContact CG2-CB 4.38Å; T1871-M1920 HydrophobicContact CG2-CE 3.81Å; T1871-M1920 HydrophobicContact CG2-SD 4.04Å; V1916-M1920 HydrophobicContact CG1-CG 4.18Å; V1916-M1920 HydrophobicContact CG1-SD 3.77Å; V1916-M1920 WeakPolarHBondContact O-CG 3.48Å; V1916-M1920 PolarHBondContact O-N 3.45Å; L1917-M1920 PolarHBondContact O-N 2.88Å
1921T78.8Confident81.7Confident5 Ų552.4 Ų52.43%0.03126%0.262CS..Hα-helixtrans-94.9-8.3-178.1610000113.8F1851 L1917 R1923F1851-T1921 WeakPolarHBondContact O-CG2 3.33Å; L1917-T1921 HydrophobicContact CD1-CG2 3.67Å; L1917-T1921 HydrophobicContact CG-CG2 4.15Å; L1917-T1921 WeakPolarHBondContact O-CB 3.41Å; L1917-T1921 WeakPolarHBondContact O-CG2 3.31Å; L1917-T1921 PolarHBondContact O-N 2.9Å; L1917-T1921 PolarHBondContact O-OG1 3.44Å; T1921-R1923 PolarHBondContact O-N 3.48Å; T1921-R1923 VanDerWaalsContact O-N 3.08Å; T1921-R1923 PolarHBondContact OG1-N 2.79Å
1922R78.4Confident81.7Confident166 Ų16649.2 Ų49.263%0.62625%0.245SC*.SBendtrans53.219.5-169-59.3-62.8-173.3164.4-0.5114.5P1918P1918-R1922 VanDerWaalsContact O-CA 3.28Å; P1918-R1922 WeakPolarHBondContact O-CA 3.5Å; P1918-R1922 PolarHBondContact O-N 2.93Å
1923R75.7Confident81.7Confident104 Ų10448.8 Ų48.839%0.39225%0.251SS..SBendtrans-115.9129.7177.5-65.7179.2-170.1-161.73.5109.8E1853 P1918 T1921E1853-R1923 PolarHBondContact O-NH2 3.19Å; P1918-R1923 VanDerWaalsContact CA-O 3.27Å; P1918-R1923 WeakPolarHBondContact CA-O 3.32Å; P1918-R1923 WeakPolarHBondContact CB-O 3.48Å; T1921-R1923 PolarHBondContact O-N 3.48Å; T1921-R1923 VanDerWaalsContact O-N 3.08Å; T1921-R1923 PolarHBondContact OG1-N 2.79Å
1924S73.7Confident81.9Confident41 Ų4149.2 Ų49.229%0.28725%0.253SS..  trans-56.5145.6174.4740000111.4I1926 S1927 N1928S1924-I1926 PolarHBondContact O-N 3.2Å; S1924-S1927 PolarHBondContact N-OG 3.12Å; S1924-S1927 PolarHBondContact O-N 3.31Å; S1924-S1927 PolarHBondContact O-OG 2.87Å; S1924-S1927 PolarHBondContact OG-N 3Å; S1924-S1927 PolarHBondContact OG-OG 3.27Å; S1924-N1928 PolarHBondContact O-N 3Å
1925A73.8Confident82.2Confident18 Ų1847.9 Ų47.915%0.14925%0.247CC..THydrogen-bonded Turntrans-57.5-26175.300000112.6F1914 P1918 S1927 N1928 Q1932F1914-A1925 HydrophobicContact CD1-CB 4.02Å; F1914-A1925 HydrophobicContact CE1-CB 4.36Å; P1918-A1925 HydrophobicContact CG-CB 4.21Å; A1925-S1927 VanDerWaalsContact C-N 3.32Å; A1925-S1927 PolarHBondContact O-N 3.22Å; A1925-N1928 PolarHBondContact O-N 2.91Å; A1925-Q1932 PolarHBondContact O-NE2 3.17Å
1926I77.1Confident82.5Confident40 Ų4045.7 Ų45.721%0.20524%0.237CC..THydrogen-bonded Turntrans-73.3-21.5178.4-49.4169.7000112.2T1627 R1704 S1924 Q1932T1627-I1926 WeakPolarHBondContact O-CD1 3.41Å; R1704-I1926 VanDerWaalsContact NH2-CD1 3.33Å; S1924-I1926 PolarHBondContact O-N 3.2Å; I1926-Q1932 PolarHBondContact O-NE2 3.29Å
1927S78Confident82.7Confident66 Ų6645.7 Ų45.746%0.46224%0.235SC..THydrogen-bonded Turntrans-97.7-7.2175.256.50000114.2S1924 A1925S1924-S1927 PolarHBondContact N-OG 3.12Å; S1924-S1927 PolarHBondContact O-N 3.31Å; S1924-S1927 PolarHBondContact O-OG 2.87Å; S1924-S1927 PolarHBondContact OG-N 3Å; S1924-S1927 PolarHBondContact OG-OG 3.27Å; A1925-S1927 VanDerWaalsContact C-N 3.32Å; A1925-S1927 PolarHBondContact O-N 3.22Å
1928N81.5Confident83.1Confident8 Ų845.6 Ų45.64%0.04323%0.234CC..  trans-101.687.3-178.5-167.6-25.8000112.2A1850 S1924 A1925 V1930 A1931 Q1932A1850-N1928 PolarHBondContact O-ND2 3.44Å; S1924-N1928 PolarHBondContact O-N 3Å; A1925-N1928 PolarHBondContact O-N 2.91Å; N1928-V1930 VanDerWaalsContact C-N 3.26Å; N1928-V1930 PolarHBondContact O-N 3.41Å; N1928-V1930 PolarHBondContact OD1-N 3.11Å; N1928-A1931 HydrophobicContact CB-CB 3.95Å; N1928-A1931 PolarHBondContact O-N 3.27Å; N1928-A1931 VanDerWaalsContact O-N 3.15Å; N1928-A1931 PolarHBondContact OD1-N 3.25Å; N1928-A1931 VanDerWaalsContact OD1-N 3.11Å; N1928-Q1932 WeakPolarHBondContact O-CG 3.44Å; N1928-Q1932 PolarHBondContact O-N 3.07Å
1929H85.2Confident83.5Confident140 Ų14045.3 Ų45.365%0.64823%0.232SC*.Hα-helixtrans-60.3-28.7-178.5-62.4-48.2000114.8Q1932 A1933H1929-Q1932 PolarHBondContact ND1-OE1 2.98Å; H1929-Q1932 PolarHBondContact O-N 3.19Å; H1929-A1933 WeakPolarHBondContact O-CB 3.49Å; H1929-A1933 PolarHBondContact O-N 3.41Å
1930V86Confident83.8Confident34 Ų3443.7 Ų43.721%0.20623%0.227CC..Hα-helixtrans-70.9-44176.1-179.70000110.2I1843 A1850 F1851 N1928 Q1932 A1933 L1934I1843-V1930 HydrophobicContact CG2-CG1 4.08Å; A1850-V1930 HydrophobicContact CB-CB 3.74Å; A1850-V1930 HydrophobicContact CB-CG1 4.44Å; A1850-V1930 HydrophobicContact CB-CG2 3.52Å; F1851-V1930 HydrophobicContact CE2-CG1 3.61Å; F1851-V1930 HydrophobicContact CZ-CG1 3.63Å; N1928-V1930 VanDerWaalsContact C-N 3.26Å; N1928-V1930 PolarHBondContact O-N 3.41Å; N1928-V1930 PolarHBondContact OD1-N 3.11Å; V1930-Q1932 VanDerWaalsContact C-N 3.3Å; V1930-Q1932 PolarHBondContact O-N 3.4Å; V1930-A1933 PolarHBondContact O-N 2.61Å; V1930-L1934 WeakPolarHBondContact O-CB 3.45Å; V1930-L1934 PolarHBondContact O-N 3.45Å
1931A83.4Confident84.2Confident3 Ų339.3 Ų39.33%0.02521%0.205CC..Hα-helixtrans-63.3-36.517400000112.1L1917 N1928 Y1935L1917-A1931 HydrophobicContact CD2-CB 3.69Å; N1928-A1931 HydrophobicContact CB-CB 3.95Å; N1928-A1931 PolarHBondContact O-N 3.27Å; N1928-A1931 VanDerWaalsContact O-N 3.15Å; N1928-A1931 PolarHBondContact OD1-N 3.25Å; N1928-A1931 VanDerWaalsContact OD1-N 3.11Å; A1931-Y1935 WeakPolarHBondContact O-CB 3.35Å; A1931-Y1935 PolarHBondContact O-N 3.13Å
1932Q86.9Confident84.8Confident23 Ų2339.1 Ų39.111%0.10720%0.204CC..Hα-helixtrans-63-50.4173.2-67.11657.500111.8V1625 A1925 I1926 N1928 H1929 V1930 L1934 Y1935 V1936V1625-Q1932 HydrophobicContact CG1-CB 3.85Å; V1625-Q1932 HydrophobicContact CG1-CG 3.86Å; A1925-Q1932 PolarHBondContact O-NE2 3.17Å; I1926-Q1932 PolarHBondContact O-NE2 3.29Å; N1928-Q1932 WeakPolarHBondContact O-CG 3.44Å; N1928-Q1932 PolarHBondContact O-N 3.07Å; H1929-Q1932 PolarHBondContact ND1-OE1 2.98Å; H1929-Q1932 PolarHBondContact O-N 3.19Å; V1930-Q1932 VanDerWaalsContact C-N 3.3Å; V1930-Q1932 PolarHBondContact O-N 3.4Å; Q1932-L1934 VanDerWaalsContact C-N 3.31Å; Q1932-L1934 PolarHBondContact O-N 2.95Å; Q1932-Y1935 PolarHBondContact O-N 3.37Å; Q1932-V1936 VanDerWaalsContact O-CG2 3.3Å; Q1932-V1936 WeakPolarHBondContact O-CG2 3.22Å; Q1932-V1936 PolarHBondContact O-N 2.78Å
1933A87Confident85.3Confident37 Ų3732.7 Ų32.731%0.30618%0.182SC..Hα-helixtrans-59.3-42.6177.900000111.7H1929 V1930 V1936 I1937H1929-A1933 WeakPolarHBondContact O-CB 3.49Å; H1929-A1933 PolarHBondContact O-N 3.41Å; V1930-A1933 PolarHBondContact O-N 2.61Å; A1933-V1936 PolarHBondContact O-N 3.34Å; A1933-I1937 WeakPolarHBondContact O-CB 3.34Å; A1933-I1937 WeakPolarHBondContact O-CG1 3.48Å; A1933-I1937 PolarHBondContact O-N 2.74Å
1934L88.8Confident85.9Confident15 Ų1528.8 Ų28.88%0.07917%0.17CC..Hα-helixtrans-62-47.4174.8-173.2154.3000111.7M1844 F1851 M1875 L1909 V1930 Q1932 V1936 I1937 K1938M1844-L1934 HydrophobicContact CG-CD1 3.53Å; M1844-L1934 HydrophobicContact SD-CD1 4Å; F1851-L1934 HydrophobicContact CZ-CD1 4.21Å; M1875-L1934 HydrophobicContact CE-CD1 3.57Å; L1909-L1934 HydrophobicContact CD1-CD2 4.31Å; V1930-L1934 WeakPolarHBondContact O-CB 3.45Å; V1930-L1934 PolarHBondContact O-N 3.45Å; Q1932-L1934 VanDerWaalsContact C-N 3.31Å; Q1932-L1934 PolarHBondContact O-N 2.95Å; L1934-V1936 PolarHBondContact O-N 3.27Å; L1934-I1937 PolarHBondContact O-N 2.9Å; L1934-K1938 WeakPolarHBondContact O-CB 3.49Å; L1934-K1938 PolarHBondContact O-N 2.76Å
1935Y89.7Confident86.7Confident2 Ų226.9 Ų26.91%0.00816%0.156CC..Hα-helixtrans-60.2-44.1177.4178.8-88.4000111.9I1621 V1625 L1909 H1910 V1913 F1914 A1931 Q1932 S1939I1621-Y1935 HydrophobicContact CG2-CD1 4.47Å; I1621-Y1935 HydrophobicContact CG2-CE1 3.99Å; V1625-Y1935 HydrophobicContact CG2-CD1 3.45Å; V1625-Y1935 VanDerWaalsContact CG2-CD1 3.45Å; V1625-Y1935 HydrophobicContact CG2-CE1 3.78Å; L1909-Y1935 HydrophobicContact CD2-CD2 3.36Å; L1909-Y1935 HydrophobicContact CD2-CE2 3.57Å; L1909-Y1935 HydrophobicContact CD2-CG 4.4Å; H1910-Y1935 AromaticContact NE2-CE2 3.84Å; H1910-Y1935 AromaticContact NE2-CZ 3.86Å; H1910-Y1935 PolarHBondContact NE2-OH 3.48Å; V1913-Y1935 HydrophobicContact CG1-CD2 4.33Å; F1914-Y1935 AromaticContact CE2-CD2 3.95Å; F1914-Y1935 HydrophobicContact CE2-CD2 3.95Å; F1914-Y1935 AromaticContact CE2-CE2 3.39Å; F1914-Y1935 HydrophobicContact CE2-CE2 3.39Å; F1914-Y1935 AromaticContact CE2-CZ 3.83Å; F1914-Y1935 AromaticContact CZ-CD2 3.98Å; F1914-Y1935 HydrophobicContact CZ-CD2 3.98Å; F1914-Y1935 HydrophobicContact CZ-CE1 4.34Å; F1914-Y1935 AromaticContact CZ-CE2 3.69Å; F1914-Y1935 HydrophobicContact CZ-CE2 3.69Å; F1914-Y1935 HydrophobicContact CZ-CG 4.48Å; F1914-Y1935 AromaticContact CZ-CZ 3.86Å; A1931-Y1935 WeakPolarHBondContact O-CB 3.35Å; A1931-Y1935 PolarHBondContact O-N 3.13Å; Q1932-Y1935 PolarHBondContact O-N 3.37Å; Y1935-S1939 WeakPolarHBondContact O-CB 3.5Å; Y1935-S1939 PolarHBondContact O-N 3.38Å; Y1935-S1939 PolarHBondContact O-OG 3.27Å
1936V90Very high87.4Confident29 Ų2926 Ų2618%0.17615%0.149CC..Hα-helixtrans-64-49.7178.6172.10000111.3M1622 V1625 Q1932 A1933 L1934 S1939 C1940M1622-V1936 HydrophobicContact CE-CB 4.26Å; M1622-V1936 HydrophobicContact CE-CG1 3.74Å; M1622-V1936 HydrophobicContact CE-CG2 3.44Å; M1622-V1936 VanDerWaalsContact CE-CG2 3.44Å; V1625-V1936 HydrophobicContact CG1-CG2 4.38Å; V1625-V1936 HydrophobicContact CG2-CG2 3.66Å; Q1932-V1936 VanDerWaalsContact O-CG2 3.3Å; Q1932-V1936 WeakPolarHBondContact O-CG2 3.22Å; Q1932-V1936 PolarHBondContact O-N 2.78Å; A1933-V1936 PolarHBondContact O-N 3.34Å; L1934-V1936 PolarHBondContact O-N 3.27Å; V1936-S1939 WeakPolarHBondContact O-CB 3.42Å; V1936-S1939 PolarHBondContact O-N 3.44Å; V1936-C1940 PolarHBondContact O-N 3.01Å; V1936-C1940 PolarHBondContact O-SG 2.71Å; V1936-C1940 VanDerWaalsContact O-SG 3.42Å
1937I91.5Very high87.8Confident43 Ų4327.7 Ų27.722%0.22115%0.153CC..Hα-helixtrans-72.3-36.9-174.9-68.4167.2000110.9I1836 I1839 I1843 A1933 L1934 S1939 C1940 Y1941I1836-I1937 HydrophobicContact CG2-CG2 3.6Å; I1836-I1937 WeakPolarHBondContact CG2-O 3.37Å; I1839-I1937 HydrophobicContact CG2-CD1 4.18Å; I1839-I1937 HydrophobicContact CG2-CG2 4.18Å; I1843-I1937 HydrophobicContact CD1-CD1 3.27Å; A1933-I1937 WeakPolarHBondContact O-CB 3.34Å; A1933-I1937 WeakPolarHBondContact O-CG1 3.48Å; A1933-I1937 PolarHBondContact O-N 2.74Å; L1934-I1937 PolarHBondContact O-N 2.9Å; I1937-S1939 VanDerWaalsContact C-N 3.33Å; I1937-C1940 WeakPolarHBondContact O-CB 3.44Å; I1937-C1940 PolarHBondContact O-N 3.49Å; I1937-Y1941 PolarHBondContact O-N 3.39Å
1938K91Very high88.3Confident3 Ų324.6 Ų24.61%0.01313%0.131CC..Hα-helixtrans-71.6-27172.1-160.360.8169.8166.90112.2D1837 L1909 L1934 Y1941 F1942D1837-K1938 IonicContact OD1-NZ 3.35Å; D1837-K1938 PolarHBondContact OD1-NZ 3.38Å; D1837-K1938 IonicContact OD2-NZ 2.62Å; D1837-K1938 PolarHBondContact OD2-NZ 2.94Å; L1909-K1938 HydrophobicContact CD1-CB 3.68Å; L1909-K1938 HydrophobicContact CD1-CG 3.44Å; L1909-K1938 VanDerWaalsContact CD1-CG 3.44Å; L1934-K1938 WeakPolarHBondContact O-CB 3.49Å; L1934-K1938 PolarHBondContact O-N 2.76Å; K1938-Y1941 HydrophobicContact CD-CD1 3.96Å; K1938-Y1941 HydrophobicContact CD-CG 4.05Å; K1938-Y1941 WeakPolarHBondContact O-CB 3.41Å; K1938-Y1941 PolarHBondContact O-N 2.92Å; K1938-F1942 HydrophobicContact CG-CE2 4.03Å; K1938-F1942 HydrophobicContact CG-CZ 4.02Å; K1938-F1942 WeakPolarHBondContact O-CD2 3.06Å; K1938-F1942 WeakPolarHBondContact O-CG 3.18Å; K1938-F1942 PolarHBondContact O-N 3.36Å
1939S90.3Very high88.5Confident0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-67.3-37.9166.7-62.20000112.2Y1935 V1936 I1937 F1942 L1943Y1935-S1939 WeakPolarHBondContact O-CB 3.5Å; Y1935-S1939 PolarHBondContact O-N 3.38Å; Y1935-S1939 PolarHBondContact O-OG 3.27Å; V1936-S1939 WeakPolarHBondContact O-CB 3.42Å; V1936-S1939 PolarHBondContact O-N 3.44Å; I1937-S1939 VanDerWaalsContact C-N 3.33Å; S1939-F1942 PolarHBondContact O-N 2.92Å; S1939-F1942 VanDerWaalsContact O-N 3.17Å; S1939-L1943 WeakPolarHBondContact O-CG 3.22Å; S1939-L1943 PolarHBondContact O-N 2.7Å
1940C89.6Confident88.4Confident49 Ų4920.8 Ų20.833%0.33111%0.111SC..Hα-helixtrans-62.2-41.1169.7-67.50000111.7V1936 I1937 F1942 L1943 V1944V1936-C1940 PolarHBondContact O-N 3.01Å; V1936-C1940 PolarHBondContact O-SG 2.71Å; V1936-C1940 VanDerWaalsContact O-SG 3.42Å; I1937-C1940 WeakPolarHBondContact O-CB 3.44Å; I1937-C1940 PolarHBondContact O-N 3.49Å; C1940-F1942 VanDerWaalsContact C-N 3.33Å; C1940-F1942 PolarHBondContact O-N 2.92Å; C1940-L1943 PolarHBondContact O-N 3.38Å; C1940-V1944 WeakPolarHBondContact O-CG2 3.21Å; C1940-V1944 PolarHBondContact O-N 3.09Å
1941Y92.1Very high88.1Confident0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-57.3-44.4169.9169.8-83.7000111.5M1833 D1837 D1886 K1898 Y1901 I1937 K1938 L1943 V1944 S1945M1833-Y1941 HydrophobicContact CB-CD2 4.14Å; M1833-Y1941 HydrophobicContact CB-CE2 3.89Å; M1833-Y1941 HydrophobicContact CE-CD2 4.45Å; M1833-Y1941 HydrophobicContact CE-CE1 4.44Å; M1833-Y1941 HydrophobicContact CE-CE2 3.73Å; D1837-Y1941 WeakPolarHBondContact OD2-CE2 3.42Å; D1886-Y1941 PolarHBondContact OD2-OH 3.26Å; K1898-Y1941 PolarHBondContact NZ-OH 3.06Å; Y1901-Y1941 HydrophobicContact CE1-CE1 4.32Å; Y1901-Y1941 VanDerWaalsContact CE1-OH 3.3Å; Y1901-Y1941 WeakPolarHBondContact CE1-OH 2.99Å; I1937-Y1941 PolarHBondContact O-N 3.39Å; K1938-Y1941 HydrophobicContact CD-CD1 3.96Å; K1938-Y1941 HydrophobicContact CD-CG 4.05Å; K1938-Y1941 WeakPolarHBondContact O-CB 3.41Å; K1938-Y1941 PolarHBondContact O-N 2.92Å; Y1941-L1943 PolarHBondContact O-N 3.28Å; Y1941-V1944 PolarHBondContact O-N 3.49Å; Y1941-S1945 WeakPolarHBondContact O-CB 3.46Å; Y1941-S1945 PolarHBondContact O-N 3.4Å
1942F91.5Very high87.8Confident0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-67-32.3176.9-63.4-44.9000113.4L1640 Q1902 M1905 I1906 L1909 K1938 S1939 C1940 A1946L1640-F1942 HydrophobicContact CD2-CB 3.92Å; Q1902-F1942 PolarHBondContact NE2-O 3Å; M1905-F1942 HydrophobicContact CB-CE1 3.68Å; M1905-F1942 HydrophobicContact CB-CZ 3.86Å; I1906-F1942 HydrophobicContact CD1-CB 4.31Å; I1906-F1942 HydrophobicContact CD1-CD1 4.34Å; I1906-F1942 HydrophobicContact CD1-CG 4.17Å; I1906-F1942 HydrophobicContact CG1-CB 4.33Å; I1906-F1942 HydrophobicContact CG1-CD1 3.78Å; I1906-F1942 HydrophobicContact CG1-CD2 3.67Å; I1906-F1942 HydrophobicContact CG1-CE1 3.93Å; I1906-F1942 HydrophobicContact CG1-CE2 3.8Å; I1906-F1942 HydrophobicContact CG1-CG 3.67Å; I1906-F1942 HydrophobicContact CG1-CZ 3.94Å; L1909-F1942 HydrophobicContact CB-CE2 4.33Å; L1909-F1942 HydrophobicContact CB-CZ 4.49Å; L1909-F1942 HydrophobicContact CD1-CE2 4.06Å; L1909-F1942 HydrophobicContact CD1-CZ 4.41Å; L1909-F1942 HydrophobicContact CD2-CE2 4.27Å; L1909-F1942 HydrophobicContact CG-CE2 4.47Å; K1938-F1942 HydrophobicContact CG-CE2 4.03Å; K1938-F1942 HydrophobicContact CG-CZ 4.02Å; K1938-F1942 WeakPolarHBondContact O-CD2 3.06Å; K1938-F1942 WeakPolarHBondContact O-CG 3.18Å; K1938-F1942 PolarHBondContact O-N 3.36Å; S1939-F1942 PolarHBondContact O-N 2.92Å; S1939-F1942 VanDerWaalsContact O-N 3.17Å; C1940-F1942 VanDerWaalsContact C-N 3.33Å; C1940-F1942 PolarHBondContact O-N 2.92Å; F1942-A1946 VanDerWaalsContact O-CB 3.29Å; F1942-A1946 WeakPolarHBondContact O-CB 3.4Å; F1942-A1946 PolarHBondContact O-N 2.78Å
1943L88.8Confident87.4Confident31 Ų3119.2 Ų19.216%0.16210%0.101CC..Hα-helixtrans-67.6-43.2172.2-72172.1000111.9I1621 L1640 N1644 S1939 C1940 Y1941 W1947I1621-L1943 HydrophobicContact CD1-CD1 3.93Å; L1640-L1943 HydrophobicContact CD2-CD2 3.89Å; L1640-L1943 HydrophobicContact CD2-CG 4.05Å; N1644-L1943 HydrophobicContact CB-CD2 4.24Å; N1644-L1943 PolarHBondContact ND2-O 3.07Å; S1939-L1943 WeakPolarHBondContact O-CG 3.22Å; S1939-L1943 PolarHBondContact O-N 2.7Å; C1940-L1943 PolarHBondContact O-N 3.38Å; Y1941-L1943 PolarHBondContact O-N 3.28Å; L1943-W1947 WeakPolarHBondContact O-CB 3.42Å; L1943-W1947 PolarHBondContact O-N 3.25Å
1944V88.7Confident86.8Confident23 Ų2317.7 Ų17.714%0.1399%0.087CC..Hα-helixtrans-68.5-38.2175.2178.50000111.1L1829 I1832 M1833 I1836 C1940 Y1941 W1947 Q1948L1829-V1944 HydrophobicContact CB-CG1 3.79Å; L1829-V1944 HydrophobicContact CD1-CG1 4.18Å; L1829-V1944 HydrophobicContact CG-CG1 4.43Å; I1832-V1944 HydrophobicContact CB-CG1 4.5Å; I1832-V1944 HydrophobicContact CG2-CG1 4.25Å; I1832-V1944 HydrophobicContact CG2-CG2 4.44Å; M1833-V1944 HydrophobicContact CG-CB 4.33Å; M1833-V1944 HydrophobicContact CG-CG1 3.6Å; M1833-V1944 HydrophobicContact SD-CG1 4.4Å; I1836-V1944 HydrophobicContact CD1-CG2 4.08Å; C1940-V1944 WeakPolarHBondContact O-CG2 3.21Å; C1940-V1944 PolarHBondContact O-N 3.09Å; Y1941-V1944 PolarHBondContact O-N 3.49Å; V1944-W1947 WeakPolarHBondContact O-CB 3.48Å; V1944-W1947 PolarHBondContact O-N 3.29Å; V1944-Q1948 PolarHBondContact O-N 3.08Å
1945S89.8Confident85.7Confident0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-64.7-44.2175-1760000112K1898 Q1902 Y1941 W1947 Q1948 I1949K1898-S1945 VanDerWaalsContact CE-OG 3.24Å; K1898-S1945 WeakPolarHBondContact CE-OG 3.38Å; Q1902-S1945 VanDerWaalsContact OE1-C 3.26Å; Q1902-S1945 PolarHBondContact OE1-OG 2.9Å; Y1941-S1945 WeakPolarHBondContact O-CB 3.46Å; Y1941-S1945 PolarHBondContact O-N 3.4Å; S1945-W1947 VanDerWaalsContact C-N 3.29Å; S1945-W1947 PolarHBondContact O-N 3.04Å; S1945-Q1948 WeakPolarHBondContact O-CB 3.49Å; S1945-Q1948 PolarHBondContact O-N 2.9Å; S1945-Q1948 VanDerWaalsContact O-N 3.16Å; S1945-I1949 WeakPolarHBondContact O-CG1 3.28Å; S1945-I1949 PolarHBondContact O-N 2.98Å
1946A88Confident84.6Confident0 Ų025.2 Ų25.20%012%0.123CC..Hα-helixtrans-61.1-39173.100000111.5N1644 L1645 F1942 I1949 R1950N1644-A1946 HydrophobicContact CB-CB 4.18Å; N1644-A1946 WeakPolarHBondContact ND2-CB 3.35Å; L1645-A1946 HydrophobicContact CD2-CB 3.9Å; L1645-A1946 HydrophobicContact CG-CB 4.31Å; F1942-A1946 VanDerWaalsContact O-CB 3.29Å; F1942-A1946 WeakPolarHBondContact O-CB 3.4Å; F1942-A1946 PolarHBondContact O-N 2.78Å; A1946-I1949 PolarHBondContact O-N 3.32Å; A1946-R1950 WeakPolarHBondContact O-CB 3.5Å; A1946-R1950 PolarHBondContact O-N 3.14Å
1947W86.7Confident83.3Confident75 Ų7524.9 Ų24.928%0.28412%0.122SC..Hα-helixtrans-65.6-39.7174.3-171.517.6000111.8L1829 L1943 V1944 S1945 R1950 N1951L1829-W1947 HydrophobicContact CD1-CB 3.93Å; L1829-W1947 HydrophobicContact CD1-CD2 3.57Å; L1829-W1947 HydrophobicContact CD1-CE3 3.54Å; L1829-W1947 HydrophobicContact CD1-CG 3.75Å; L1829-W1947 HydrophobicContact CD1-CZ3 4.26Å; L1829-W1947 HydrophobicContact CD2-CE3 3.97Å; L1829-W1947 HydrophobicContact CD2-CH2 4.33Å; L1829-W1947 HydrophobicContact CD2-CZ3 3.84Å; L1829-W1947 HydrophobicContact CG-CE3 4.44Å; L1943-W1947 WeakPolarHBondContact O-CB 3.42Å; L1943-W1947 PolarHBondContact O-N 3.25Å; V1944-W1947 WeakPolarHBondContact O-CB 3.48Å; V1944-W1947 PolarHBondContact O-N 3.29Å; S1945-W1947 VanDerWaalsContact C-N 3.29Å; S1945-W1947 PolarHBondContact O-N 3.04Å; W1947-R1950 VanDerWaalsContact CD1-NH2 3.26Å; W1947-R1950 PolarHBondContact O-N 3.5Å; W1947-N1951 VanDerWaalsContact CD1-OD1 3.27Å; W1947-N1951 PolarHBondContact NE1-ND2 2.93Å; W1947-N1951 PolarHBondContact NE1-OD1 3.09Å; W1947-N1951 WeakPolarHBondContact O-CB 3.41Å; W1947-N1951 PolarHBondContact O-N 2.87Å; W1947-N1951 PolarHBondContact O-ND2 3.33Å; W1947-N1951 PolarHBondContact O-OD1 2.86Å
1948Q87.6Confident81.8Confident2 Ų225.3 Ų25.31%0.00912%0.124CC..Hα-helixtrans-63.8-39.9173.8-171.459.934.800112.1R1827 L1829 M1833 V1944 S1945 G1952 Y1953R1827-Q1948 PolarHBondContact O-NE2 3.41Å; R1827-Q1948 VanDerWaalsContact O-NE2 3.07Å; R1827-Q1948 PolarHBondContact O-OE1 3.44Å; R1827-Q1948 VanDerWaalsContact O-OE1 3.1Å; L1829-Q1948 HydrophobicContact CD1-CB 4.22Å; L1829-Q1948 VanDerWaalsContact CG-OE1 3.31Å; M1833-Q1948 HydrophobicContact SD-CB 4.13Å; M1833-Q1948 HydrophobicContact SD-CG 4.39Å; V1944-Q1948 PolarHBondContact O-N 3.08Å; S1945-Q1948 WeakPolarHBondContact O-CB 3.49Å; S1945-Q1948 PolarHBondContact O-N 2.9Å; S1945-Q1948 VanDerWaalsContact O-N 3.16Å; Q1948-G1952 PolarHBondContact NE2-O 3.18Å; Q1948-G1952 WeakPolarHBondContact O-CA 3.44Å; Q1948-G1952 PolarHBondContact O-N 3.3Å; Q1948-Y1953 HydrophobicContact CG-CD1 4.23Å; Q1948-Y1953 HydrophobicContact CG-CE1 3.74Å; Q1948-Y1953 VanDerWaalsContact NE2-CD1 3.32Å
1949I86.8Confident80.3Confident7 Ų727 Ų274%0.03614%0.143CC..Hα-helixtrans-65.3-45.4175.1-67.6170.1000110.8L1645 L1818 V1895 K1898 L1899 Q1902 S1945 A1946 N1951L1645-I1949 HydrophobicContact CD2-CB 4.37Å; L1645-I1949 HydrophobicContact CD2-CG2 4.17Å; L1818-I1949 HydrophobicContact CD1-CG2 4.35Å; L1818-I1949 HydrophobicContact CD2-CG2 4.3Å; V1895-I1949 HydrophobicContact CG1-CG2 4.22Å; K1898-I1949 HydrophobicContact CB-CG1 4.44Å; K1898-I1949 HydrophobicContact CG-CD1 4.2Å; K1898-I1949 HydrophobicContact CG-CG1 3.97Å; L1899-I1949 HydrophobicContact CB-CD1 4.3Å; L1899-I1949 HydrophobicContact CD1-CD1 4.17Å; Q1902-I1949 HydrophobicContact CB-CD1 4.15Å; Q1902-I1949 VanDerWaalsContact OE1-CD1 3.22Å; S1945-I1949 WeakPolarHBondContact O-CG1 3.28Å; S1945-I1949 PolarHBondContact O-N 2.98Å; A1946-I1949 PolarHBondContact O-N 3.32Å; I1949-N1951 VanDerWaalsContact C-N 3.27Å; I1949-N1951 PolarHBondContact O-N 3.3Å
1950R82.1Confident79Confident61 Ų6128.2 Ų28.223%0.2315%0.149CC..Hα-helixtrans-61.3-34178.9-171.6-179.871.5-163.42.9113N1644 S1646 N1647 A1946 W1947N1644-R1950 PolarHBondContact O-NH1 3.38Å; N1644-R1950 PolarHBondContact OD1-NH1 3.22Å; S1646-R1950 WeakPolarHBondContact O-CD 3.34Å; N1647-R1950 HydrophobicContact CB-CG 4.11Å; A1946-R1950 WeakPolarHBondContact O-CB 3.5Å; A1946-R1950 PolarHBondContact O-N 3.14Å; W1947-R1950 VanDerWaalsContact CD1-NH2 3.26Å; W1947-R1950 PolarHBondContact O-N 3.5Å
1951N79.4Confident77.8Confident6 Ų630.9 Ų30.93%0.03216%0.16CC..Hα-helixtrans-86.4-43.3-179.5-67-0.6000112.2R1824 Y1825 W1947 I1949R1824-N1951 WeakPolarHBondContact CG-O 3.22Å; R1824-N1951 PolarHBondContact NE-O 2.98Å; Y1825-N1951 WeakPolarHBondContact O-CA 3.28Å; Y1825-N1951 WeakPolarHBondContact O-CB 2.93Å; Y1825-N1951 VanDerWaalsContact O-CG 3.29Å; W1947-N1951 VanDerWaalsContact CD1-OD1 3.27Å; W1947-N1951 PolarHBondContact NE1-ND2 2.93Å; W1947-N1951 PolarHBondContact NE1-OD1 3.09Å; W1947-N1951 WeakPolarHBondContact O-CB 3.41Å; W1947-N1951 PolarHBondContact O-N 2.87Å; W1947-N1951 PolarHBondContact O-ND2 3.33Å; W1947-N1951 PolarHBondContact O-OD1 2.86Å; I1949-N1951 VanDerWaalsContact C-N 3.27Å; I1949-N1951 PolarHBondContact O-N 3.3Å
1952G78.3Confident76.6Confident1 Ų132.9 Ų32.91%0.0117%0.17CC..  trans90.4165-168.400000114Q1948Q1948-G1952 PolarHBondContact NE2-O 3.18Å; Q1948-G1952 WeakPolarHBondContact O-CA 3.44Å; Q1948-G1952 PolarHBondContact O-N 3.3Å
1953Y78.7Confident75.5Confident19 Ų1933.1 Ų33.18%0.07517%0.172CC..  trans-79.7148.9173.1-64.5-67.3000111.7Y1890 V1895 K1898 Q1948Y1890-Y1953 HydrophobicContact CD2-CD1 4.01Å; Y1890-Y1953 AromaticContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CE2-CD1 4.37Å; Y1890-Y1953 HydrophobicContact CE2-CE1 4.49Å; V1895-Y1953 HydrophobicContact CG2-CD2 3.9Å; V1895-Y1953 HydrophobicContact CG2-CE2 4.32Å; K1898-Y1953 WeakPolarHBondContact CG-OH 3.18Å; Q1948-Y1953 HydrophobicContact CG-CD1 4.23Å; Q1948-Y1953 HydrophobicContact CG-CE1 3.74Å; Q1948-Y1953 VanDerWaalsContact NE2-CD1 3.32Å
1954P73.9Confident74.4Confident5 Ų535.2 Ų35.23%0.03218%0.18CC..  trans-70.9158.2169.333.2-36.9000111.6I1826 D1828 L1956I1826-P1954 HydrophobicContact CG2-CB 4.26Å; D1828-P1954 HydrophobicContact CB-CG 4.18Å; P1954-L1956 WeakPolarHBondContact CG-O 3.21Å
1955E66.1Low73.5Confident146 Ų14637 Ų3768%0.68219%0.194SC*.SBendtrans-73.2-27.1178.5-65.9-173.4167.100113.3K1893K1893-E1955 PolarHBondContact NZ-O 3.09Å
1956L65.7Low72.8Confident29 Ų2938.7 Ų38.715%0.15220%0.201CC..  trans-111.5138172.5-88.497.3000111.7I1363 F1420 P1954 I1958 E2404I1363-L1956 HydrophobicContact CD1-CD1 3.63Å; I1363-L1956 HydrophobicContact CD1-CD2 3.35Å; I1363-L1956 HydrophobicContact CD1-CG 4.12Å; I1363-L1956 HydrophobicContact CG1-CD2 4.26Å; F1420-L1956 HydrophobicContact CZ-CB 3.96Å; P1954-L1956 WeakPolarHBondContact CG-O 3.21Å; L1956-I1958 HydrophobicContact CD2-CD1 3.79Å; L1956-I1958 HydrophobicContact CD2-CG1 4.14Å; L1956-E2404 VanDerWaalsContact CD2-OE2 3.23Å; L1956-E2404 WeakPolarHBondContact CD2-OE2 3.46Å; L1956-E2404 WeakPolarHBondContact CG-OE2 3.38Å
1957C63.4Low72.1Confident23 Ų2340 Ų4016%0.15521%0.214CC..  trans-12628.2-179.6-67.30000112.5Y1890 K1893 G1959 E2404Y1890-C1957 HydrophobicContact CE1-CB 4.43Å; K1893-C1957 WeakPolarHBondContact CE-SG 3.25Å; C1957-G1959 PolarHBondContact O-N 2.93Å; C1957-E2404 PolarHBondContact N-OE1 3.07Å; C1957-E2404 VanDerWaalsContact N-OE1 3.16Å
1958I58.7Low71.6Confident51 Ų5140.7 Ų40.726%0.26222%0.222SC..  trans-70.7117.7179.2-52.7-178.6000110.8L1956 E2404L1956-I1958 HydrophobicContact CD2-CD1 3.79Å; L1956-I1958 HydrophobicContact CD2-CG1 4.14Å; I1958-E2404 HydrophobicContact CD1-CB 4.48Å; I1958-E2404 HydrophobicContact CD1-CG 4.2Å; I1958-E2404 HydrophobicContact CG1-CG 3.91Å; I1958-E2404 WeakPolarHBondContact CG1-OE2 3.07Å
1959G60Low70.9Confident40 Ų4045.9 Ų45.941%0.41225%0.254SS..  trans130.4143.5163.600000114.3C1957C1957-G1959 PolarHBondContact O-N 2.93Å
1960N63.8Low70.7Confident24 Ų2447 Ų4713%0.12826%0.26CS..  trans-81.8133.2160.5177.72.4000107.1L1962 T1963 H1964 R1987N1960-L1962 PolarHBondContact O-N 2.95Å; N1960-L1962 PolarHBondContact OD1-N 3.22Å; N1960-T1963 HydrophobicContact CB-CG2 4.14Å; N1960-T1963 WeakPolarHBondContact O-CA 3.47Å; N1960-T1963 PolarHBondContact O-N 2.86Å; N1960-T1963 PolarHBondContact O-OG1 3.28Å; N1960-H1964 PolarHBondContact O-CD2 2.91Å; N1960-H1964 PolarHBondContact O-N 3.39Å; N1960-R1987 PolarHBondContact ND2-NH1 3.36Å
1961L64Low70.8Confident105 Ų10545.5 Ų45.555%0.5526%0.256SS..G310 helixtrans-48.9-38.6176.8-175.367.7000111.8P1831 T1963P1831-L1961 HydrophobicContact CB-CB 4.08Å; P1831-L1961 HydrophobicContact CB-CD2 3.7Å; P1831-L1961 HydrophobicContact CB-CG 4.41Å; P1831-L1961 HydrophobicContact CG-CB 4.17Å; P1831-L1961 HydrophobicContact CG-CD2 4.41Å; L1961-T1963 PolarHBondContact O-N 3.48Å
1962L66.3Low71Confident42 Ų4249.4 Ų49.422%0.2228%0.276CS..G310 helixtrans-67.6-16.7179.1-56.1178.7000114.1N1960 N1970 A1973 F1974 F1977 F2015N1960-L1962 PolarHBondContact O-N 2.95Å; N1960-L1962 PolarHBondContact OD1-N 3.22Å; L1962-N1970 WeakPolarHBondContact O-CB 3.25Å; L1962-N1970 PolarHBondContact O-ND2 2.89Å; L1962-N1970 VanDerWaalsContact O-ND2 3.13Å; L1962-A1973 HydrophobicContact CD2-CB 3.82Å; L1962-F1974 HydrophobicContact CB-CB 4.49Å; L1962-F1974 HydrophobicContact CB-CD2 4.33Å; L1962-F1977 HydrophobicContact CD1-CB 3.75Å; L1962-F1977 HydrophobicContact CD1-CD2 3.95Å; L1962-F1977 HydrophobicContact CD1-CG 3.94Å; L1962-F2015 WeakPolarHBondContact O-CZ 3.49Å
1963T68.8Low71.1Confident5 Ų551 Ų513%0.03129%0.289CS..G310 helixtrans-109.81.4-17868.50000115.1N1960 L1961 F1974 Y2011 F2015N1960-T1963 HydrophobicContact CB-CG2 4.14Å; N1960-T1963 WeakPolarHBondContact O-CA 3.47Å; N1960-T1963 PolarHBondContact O-N 2.86Å; N1960-T1963 PolarHBondContact O-OG1 3.28Å; L1961-T1963 PolarHBondContact O-N 3.48Å; T1963-F1974 HydrophobicContact CG2-CD2 3.71Å; T1963-F1974 HydrophobicContact CG2-CE2 3.62Å; T1963-F1974 HydrophobicContact CG2-CG 4.45Å; T1963-F1974 HydrophobicContact CG2-CZ 4.3Å; T1963-Y2011 WeakPolarHBondContact CB-OH 3.44Å; T1963-Y2011 HydrophobicContact CG2-CE1 4.2Å; T1963-Y2011 PolarHBondContact OG1-OH 3.27Å; T1963-F2015 VanDerWaalsContact CA-CE2 3.44Å; T1963-F2015 HydrophobicContact CG2-CD1 3.99Å; T1963-F2015 HydrophobicContact CG2-CD2 3.98Å; T1963-F2015 HydrophobicContact CG2-CE1 3.89Å; T1963-F2015 HydrophobicContact CG2-CE2 3.89Å; T1963-F2015 HydrophobicContact CG2-CG 4.04Å; T1963-F2015 HydrophobicContact CG2-CZ 3.86Å; T1963-F2015 WeakPolarHBondContact O-CE2 3.4Å
1964H65.4Low71.5Confident75 Ų7550.3 Ų50.335%0.34729%0.286SS..SBendtrans-69.7-28.2173.8-79.3-91.2000114N1960N1960-H1964 PolarHBondContact O-CD2 2.91Å; N1960-H1964 PolarHBondContact O-N 3.39Å
1965S70.3Confident72Confident60 Ų6054.7 Ų54.742%0.4231%0.305SS..SBendtrans-126.3145.1176.590.10000112.7G1967 N1970S1965-G1967 VanDerWaalsContact C-N 3.32Å; S1965-G1967 PolarHBondContact O-N 3.16Å; S1965-N1970 VanDerWaalsContact O-CB 3.27Å; S1965-N1970 WeakPolarHBondContact O-CB 3.42Å; S1965-N1970 PolarHBondContact O-ND2 3.28Å; S1965-N1970 PolarHBondContact OG-ND2 2.73Å
1966Y75.5Confident72.8Confident37 Ų3751.6 Ų51.615%0.14530%0.295CS..  trans-94.445.8-174.9-51.3-61.5000112.4P1416 F2015 K2018 Q2022 L2393P1416-Y1966 HydrophobicContact CB-CE2 4.46Å; P1416-Y1966 HydrophobicContact CG-CE2 3.95Å; Y1966-F2015 AromaticContact CD1-CD2 3.94Å; Y1966-F2015 HydrophobicContact CD1-CD2 3.94Å; Y1966-F2015 AromaticContact CD1-CE2 3.54Å; Y1966-F2015 HydrophobicContact CD1-CE2 3.54Å; Y1966-F2015 HydrophobicContact CD1-CZ 4.48Å; Y1966-F2015 AromaticContact CE1-CD2 3.77Å; Y1966-F2015 HydrophobicContact CE1-CD2 3.77Å; Y1966-F2015 AromaticContact CE1-CE2 3.65Å; Y1966-F2015 HydrophobicContact CE1-CE2 3.65Å; Y1966-K2018 HydrophobicContact CD1-CB 4.33Å; Y1966-K2018 HydrophobicContact CD1-CG 3.53Å; Y1966-K2018 HydrophobicContact CD2-CG 4.14Å; Y1966-K2018 HydrophobicContact CE1-CG 3.89Å; Y1966-K2018 HydrophobicContact CE2-CG 4.43Å; Y1966-K2018 HydrophobicContact CG-CG 3.69Å; Y1966-Q2022 WeakPolarHBondContact O-CB 3.28Å; Y1966-Q2022 VanDerWaalsContact O-CG 3.28Å; Y1966-Q2022 WeakPolarHBondContact O-CG 3.27Å; Y1966-L2393 HydrophobicContact CE1-CD2 3.87Å
1967G73.1Confident73.7Confident28 Ų2851.3 Ų51.329%0.28929%0.293SS..  trans-92.9162.6-178.600000114.5S1965 T1969 N1970 M1971S1965-G1967 VanDerWaalsContact C-N 3.32Å; S1965-G1967 PolarHBondContact O-N 3.16Å; G1967-T1969 VanDerWaalsContact C-N 3.3Å; G1967-T1969 PolarHBondContact O-N 3.38Å; G1967-N1970 PolarHBondContact O-N 3.16Å; G1967-N1970 VanDerWaalsContact O-N 3.16Å; G1967-M1971 PolarHBondContact O-N 2.84Å
1968M75Confident74.6Confident89 Ų8953 Ų5344%0.43830%0.299SS..Hα-helixtrans-57.5-42.2172.6-179.2179.2175.900112.1N1970 M1971 I1972 F2023M1968-N1970 VanDerWaalsContact C-N 3.32Å; M1968-N1970 PolarHBondContact O-N 3.38Å; M1968-M1971 PolarHBondContact O-N 3.13Å; M1968-I1972 HydrophobicContact CE-CD1 3.86Å; M1968-I1972 HydrophobicContact CG-CD1 3.97Å; M1968-I1972 WeakPolarHBondContact O-CG1 3.47Å; M1968-I1972 PolarHBondContact O-N 3.38Å; M1968-F2023 HydrophobicContact CB-CD2 4.12Å; M1968-F2023 HydrophobicContact CG-CD2 4.3Å; M1968-F2023 HydrophobicContact SD-CD2 4.05Å; M1968-F2023 HydrophobicContact SD-CE2 3.7Å
1969T73.6Confident75.7Confident111 Ų11157 Ų5768%0.68132%0.321SS*.Hα-helixtrans-60-43.2176.4-46.80000111.4G1967 I1972 A1973G1967-T1969 VanDerWaalsContact C-N 3.3Å; G1967-T1969 PolarHBondContact O-N 3.38Å; T1969-I1972 PolarHBondContact O-N 2.91Å; T1969-A1973 VanDerWaalsContact O-CB 3.31Å; T1969-A1973 WeakPolarHBondContact O-CB 3.34Å; T1969-A1973 PolarHBondContact O-N 2.97Å
1970N82.1Confident76.8Confident30 Ų3058.5 Ų58.516%0.1632%0.319CS..Hα-helixtrans-69-40.8178.1-80.829.5000111.9L1962 S1965 G1967 M1968 I1972 A1973 F1974L1962-N1970 WeakPolarHBondContact O-CB 3.25Å; L1962-N1970 PolarHBondContact O-ND2 2.89Å; L1962-N1970 VanDerWaalsContact O-ND2 3.13Å; S1965-N1970 VanDerWaalsContact O-CB 3.27Å; S1965-N1970 WeakPolarHBondContact O-CB 3.42Å; S1965-N1970 PolarHBondContact O-ND2 3.28Å; S1965-N1970 PolarHBondContact OG-ND2 2.73Å; G1967-N1970 PolarHBondContact O-N 3.16Å; G1967-N1970 VanDerWaalsContact O-N 3.16Å; M1968-N1970 VanDerWaalsContact C-N 3.32Å; M1968-N1970 PolarHBondContact O-N 3.38Å; N1970-I1972 VanDerWaalsContact C-N 3.33Å; N1970-I1972 PolarHBondContact O-N 2.62Å; N1970-A1973 PolarHBondContact O-N 3.09Å; N1970-F1974 WeakPolarHBondContact O-CB 3.1Å; N1970-F1974 PolarHBondContact O-N 2.73Å
1971M84.1Confident77.7Confident30 Ų3062.3 Ų62.315%0.14835%0.345CS..Hα-helixtrans-57.6-44.8172-172.4-178.856.300111.9G1967 M1968 K1975 C2019G1967-M1971 PolarHBondContact O-N 2.84Å; M1968-M1971 PolarHBondContact O-N 3.13Å; M1971-K1975 HydrophobicContact CG-CD 4.37Å; M1971-K1975 WeakPolarHBondContact O-CB 3.48Å; M1971-K1975 VanDerWaalsContact O-CG 3.32Å; M1971-K1975 WeakPolarHBondContact O-CG 3.37Å; M1971-K1975 PolarHBondContact O-N 3.35Å; M1971-C2019 HydrophobicContact CB-CB 3.77Å; M1971-C2019 HydrophobicContact CG-CB 4.04Å; M1971-C2019 HydrophobicContact SD-CB 4.25Å
1972I84.5Confident78.6Confident88 Ų8865.3 Ų65.345%0.45135%0.354SS..Hα-helixtrans-67.6-48.8179.2-68167.7000110.3M1968 T1969 N1970 F1974 K1975 V1976M1968-I1972 HydrophobicContact CE-CD1 3.86Å; M1968-I1972 HydrophobicContact CG-CD1 3.97Å; M1968-I1972 WeakPolarHBondContact O-CG1 3.47Å; M1968-I1972 PolarHBondContact O-N 3.38Å; T1969-I1972 PolarHBondContact O-N 2.91Å; N1970-I1972 VanDerWaalsContact C-N 3.33Å; N1970-I1972 PolarHBondContact O-N 2.62Å; I1972-F1974 VanDerWaalsContact C-N 3.31Å; I1972-F1974 PolarHBondContact O-N 3.49Å; I1972-K1975 PolarHBondContact O-N 2.87Å; I1972-V1976 HydrophobicContact CG2-CG2 4.46Å; I1972-V1976 WeakPolarHBondContact O-CG2 3.4Å; I1972-V1976 PolarHBondContact O-N 3.09Å
1973A80.6Confident79.5Confident34 Ų3465.2 Ų65.228%0.28135%0.353SS..Hα-helixtrans-62.2-38.3179.300000112.2L1962 T1969 N1970 V1976 F1977L1962-A1973 HydrophobicContact CD2-CB 3.82Å; T1969-A1973 VanDerWaalsContact O-CB 3.31Å; T1969-A1973 WeakPolarHBondContact O-CB 3.34Å; T1969-A1973 PolarHBondContact O-N 2.97Å; N1970-A1973 PolarHBondContact O-N 3.09Å; A1973-V1976 PolarHBondContact O-N 3.29Å; A1973-F1977 VanDerWaalsContact O-CB 3.31Å; A1973-F1977 WeakPolarHBondContact O-CB 3.46Å; A1973-F1977 PolarHBondContact O-N 3.08Å
1974F85.9Confident80.3Confident5 Ų565.5 Ų65.52%0.02235%0.354CS..Hα-helixtrans-68.8-41.9174.6-172.3-106.5000112.2L1962 T1963 N1970 I1972 V1976 F1977 M1978 A2012 F2015L1962-F1974 HydrophobicContact CB-CB 4.49Å; L1962-F1974 HydrophobicContact CB-CD2 4.33Å; T1963-F1974 HydrophobicContact CG2-CD2 3.71Å; T1963-F1974 HydrophobicContact CG2-CE2 3.62Å; T1963-F1974 HydrophobicContact CG2-CG 4.45Å; T1963-F1974 HydrophobicContact CG2-CZ 4.3Å; N1970-F1974 WeakPolarHBondContact O-CB 3.1Å; N1970-F1974 PolarHBondContact O-N 2.73Å; I1972-F1974 VanDerWaalsContact C-N 3.31Å; I1972-F1974 PolarHBondContact O-N 3.49Å; F1974-V1976 VanDerWaalsContact C-N 3.35Å; F1974-V1976 PolarHBondContact O-N 3Å; F1974-F1977 WeakPolarHBondContact O-CB 3.2Å; F1974-F1977 PolarHBondContact O-N 3.15Å; F1974-M1978 HydrophobicContact CD1-CG 4.45Å; F1974-M1978 HydrophobicContact CD1-SD 4.18Å; F1974-M1978 HydrophobicContact CE1-CG 4.16Å; F1974-M1978 HydrophobicContact CE1-SD 3.56Å; F1974-M1978 VanDerWaalsContact CE1-SD 3.56Å; F1974-M1978 HydrophobicContact CZ-CG 4.29Å; F1974-M1978 HydrophobicContact CZ-SD 3.98Å; F1974-M1978 WeakPolarHBondContact O-CG 3.39Å; F1974-M1978 PolarHBondContact O-N 3.24Å; F1974-A2012 HydrophobicContact CE1-CB 3.79Å; F1974-A2012 HydrophobicContact CZ-CB 3.64Å; F1974-F2015 HydrophobicContact CB-CD1 4.49Å; F1974-F2015 HydrophobicContact CB-CE1 3.91Å; F1974-F2015 AromaticContact CD1-CD1 3.53Å; F1974-F2015 HydrophobicContact CD1-CD1 3.53Å; F1974-F2015 AromaticContact CD1-CE1 3.83Å; F1974-F2015 HydrophobicContact CD1-CE1 3.83Å; F1974-F2015 HydrophobicContact CD2-CD1 4.47Å; F1974-F2015 HydrophobicContact CD2-CE1 4.38Å; F1974-F2015 AromaticContact CE1-CD1 3.76Å; F1974-F2015 HydrophobicContact CE1-CD1 3.76Å; F1974-F2015 HydrophobicContact CE1-CE1 4.45Å; F1974-F2015 AromaticContact CG-CD1 3.92Å; F1974-F2015 HydrophobicContact CG-CD1 3.92Å; F1974-F2015 AromaticContact CG-CE1 3.78Å; F1974-F2015 HydrophobicContact CG-CE1 3.78Å; F1974-F2015 HydrophobicContact CZ-CD1 4.33Å
1975K85.4Confident81.3Confident97 Ų9766.4 Ų66.442%0.42236%0.359SS..Hα-helixtrans-64.3-37.3172.4-75.5-176.5-178.8-174.60112.5M1971 I1972 M1978 N1979 N2016M1971-K1975 HydrophobicContact CG-CD 4.37Å; M1971-K1975 WeakPolarHBondContact O-CB 3.48Å; M1971-K1975 VanDerWaalsContact O-CG 3.32Å; M1971-K1975 WeakPolarHBondContact O-CG 3.37Å; M1971-K1975 PolarHBondContact O-N 3.35Å; I1972-K1975 PolarHBondContact O-N 2.87Å; K1975-M1978 PolarHBondContact O-N 3.01Å; K1975-N1979 WeakPolarHBondContact O-CB 3.42Å; K1975-N1979 PolarHBondContact O-N 3.25Å; K1975-N1979 PolarHBondContact O-ND2 3.05Å; K1975-N2016 WeakPolarHBondContact CE-OD1 3.34Å; K1975-N2016 WeakPolarHBondContact CG-OD1 3.45Å
1976V83.5Confident82Confident81 Ų8168.1 Ų68.149%0.49136%0.362SS..Hα-helixtrans-63-47.4171.8169.90000110.1I1972 A1973 F1974 M1978 N1979 I1980I1972-V1976 HydrophobicContact CG2-CG2 4.46Å; I1972-V1976 WeakPolarHBondContact O-CG2 3.4Å; I1972-V1976 PolarHBondContact O-N 3.09Å; A1973-V1976 PolarHBondContact O-N 3.29Å; F1974-V1976 VanDerWaalsContact C-N 3.35Å; F1974-V1976 PolarHBondContact O-N 3Å; V1976-M1978 VanDerWaalsContact C-N 3.32Å; V1976-M1978 PolarHBondContact O-N 3.47Å; V1976-N1979 PolarHBondContact O-N 3.04Å; V1976-I1980 HydrophobicContact CG1-CD1 4.39Å; V1976-I1980 WeakPolarHBondContact O-CG1 3.39Å; V1976-I1980 PolarHBondContact O-N 3.44Å; V1976-I1980 VanDerWaalsContact O-N 3.14Å
1977F83.5Confident82.5Confident23 Ų2368.6 Ų68.610%0.10136%0.364CS..Hα-helixtrans-54.9-43.2175.8174.9-85.8000112.7L1962 A1973 F1974 L1983 F1984L1962-F1977 HydrophobicContact CD1-CB 3.75Å; L1962-F1977 HydrophobicContact CD1-CD2 3.95Å; L1962-F1977 HydrophobicContact CD1-CG 3.94Å; A1973-F1977 VanDerWaalsContact O-CB 3.31Å; A1973-F1977 WeakPolarHBondContact O-CB 3.46Å; A1973-F1977 PolarHBondContact O-N 3.08Å; F1974-F1977 WeakPolarHBondContact O-CB 3.2Å; F1974-F1977 PolarHBondContact O-N 3.15Å; F1977-L1983 HydrophobicContact CD2-CD2 3.65Å; F1977-L1983 HydrophobicContact CE1-CD2 4.34Å; F1977-L1983 HydrophobicContact CE2-CD2 3.15Å; F1977-L1983 HydrophobicContact CG-CD2 4.41Å; F1977-L1983 HydrophobicContact CZ-CD2 3.53Å; F1977-F1984 HydrophobicContact CE1-CD2 4.2Å
1978M82.5Confident83.2Confident57 Ų5767.3 Ų67.328%0.28135%0.351SS..Hα-helixtrans-71.6-27.7175.6-64.4-165.69200113.9F1974 K1975 V1976 F1984 A2012F1974-M1978 HydrophobicContact CD1-CG 4.45Å; F1974-M1978 HydrophobicContact CD1-SD 4.18Å; F1974-M1978 HydrophobicContact CE1-CG 4.16Å; F1974-M1978 HydrophobicContact CE1-SD 3.56Å; F1974-M1978 VanDerWaalsContact CE1-SD 3.56Å; F1974-M1978 HydrophobicContact CZ-CG 4.29Å; F1974-M1978 HydrophobicContact CZ-SD 3.98Å; F1974-M1978 WeakPolarHBondContact O-CG 3.39Å; F1974-M1978 PolarHBondContact O-N 3.24Å; K1975-M1978 PolarHBondContact O-N 3.01Å; V1976-M1978 VanDerWaalsContact C-N 3.32Å; V1976-M1978 PolarHBondContact O-N 3.47Å; M1978-F1984 HydrophobicContact CE-CD2 4.08Å; M1978-F1984 HydrophobicContact CE-CE1 4.33Å; M1978-F1984 HydrophobicContact CE-CE2 3.84Å; M1978-F1984 HydrophobicContact CE-CG 4.45Å; M1978-F1984 HydrophobicContact CE-CZ 3.97Å; M1978-A2012 HydrophobicContact CE-CB 3.4Å; M1978-A2012 VanDerWaalsContact CE-CB 3.4Å; M1978-A2012 HydrophobicContact SD-CB 3.77Å
1979N82.6Confident83.9Confident135 Ų13564.7 Ų64.772%0.72234%0.343SS*.Hα-helixtrans-82.1-11.7178.7-74.3-31.4000113.7K1975 V1976K1975-N1979 WeakPolarHBondContact O-CB 3.42Å; K1975-N1979 PolarHBondContact O-N 3.25Å; K1975-N1979 PolarHBondContact O-ND2 3.05Å; V1976-N1979 PolarHBondContact O-N 3.04Å
1980I83.1Confident84.6Confident73 Ų7360.4 Ų60.437%0.37432%0.316SS..SBendtrans-74.6120.9175.9-65.8163.7000108.5V1976 F1982 L1983V1976-I1980 HydrophobicContact CG1-CD1 4.39Å; V1976-I1980 WeakPolarHBondContact O-CG1 3.39Å; V1976-I1980 PolarHBondContact O-N 3.44Å; V1976-I1980 VanDerWaalsContact O-N 3.14Å; I1980-F1982 PolarHBondContact O-N 2.93Å; I1980-L1983 HydrophobicContact CB-CB 4Å; I1980-L1983 HydrophobicContact CB-CD1 4.24Å; I1980-L1983 HydrophobicContact CD1-CD1 4.06Å; I1980-L1983 HydrophobicContact CG2-CB 3.68Å; I1980-L1983 HydrophobicContact CG2-CD1 3.77Å; I1980-L1983 HydrophobicContact CG2-CG 4.39Å; I1980-L1983 PolarHBondContact O-N 3.15Å
1981P81.8Confident84.8Confident103 Ų10359.5 Ų59.567%0.66931%0.311SS*.THydrogen-bonded Turntrans-60.5139.9-175.125.8-35.1000111.3L1983P1981-L1983 PolarHBondContact O-N 3.4Å
1982F84.1Confident85.1Confident169 Ų16962.2 Ų62.274%0.74132%0.319SS*.THydrogen-bonded Turntrans60.1-11.8-176.8-48.8-71.7000116.8I1980 E1985 L1986I1980-F1982 PolarHBondContact O-N 2.93Å; F1982-E1985 PolarHBondContact O-N 2.88Å; F1982-L1986 WeakPolarHBondContact O-CA 3.35Å; F1982-L1986 WeakPolarHBondContact O-CB 3.48Å; F1982-L1986 PolarHBondContact O-N 3.23Å
1983L83.5Confident85.4Confident39 Ų3961.1 Ų61.120%0.20432%0.317CS..Hα-helixtrans-71.8-44.8-172.8-164.9159.8000112.1F1977 I1980 P1981 R1987F1977-L1983 HydrophobicContact CD2-CD2 3.65Å; F1977-L1983 HydrophobicContact CE1-CD2 4.34Å; F1977-L1983 HydrophobicContact CE2-CD2 3.15Å; F1977-L1983 HydrophobicContact CG-CD2 4.41Å; F1977-L1983 HydrophobicContact CZ-CD2 3.53Å; I1980-L1983 HydrophobicContact CB-CB 4Å; I1980-L1983 HydrophobicContact CB-CD1 4.24Å; I1980-L1983 HydrophobicContact CD1-CD1 4.06Å; I1980-L1983 HydrophobicContact CG2-CB 3.68Å; I1980-L1983 HydrophobicContact CG2-CD1 3.77Å; I1980-L1983 HydrophobicContact CG2-CG 4.39Å; I1980-L1983 PolarHBondContact O-N 3.15Å; P1981-L1983 PolarHBondContact O-N 3.4Å; L1983-R1987 VanDerWaalsContact O-CB 3.31Å; L1983-R1987 WeakPolarHBondContact O-CB 3.42Å; L1983-R1987 PolarHBondContact O-N 3.23Å
1984F85.6Confident85.8Confident12 Ų1264.6 Ų64.65%0.05332%0.323CS..Hα-helixtrans-59.4-51.4171.8177.8-105.7000111F1977 M1978 L1986 R1987 T1988 E2008 N2009F1977-F1984 HydrophobicContact CE1-CD2 4.2Å; M1978-F1984 HydrophobicContact CE-CD2 4.08Å; M1978-F1984 HydrophobicContact CE-CE1 4.33Å; M1978-F1984 HydrophobicContact CE-CE2 3.84Å; M1978-F1984 HydrophobicContact CE-CG 4.45Å; M1978-F1984 HydrophobicContact CE-CZ 3.97Å; F1984-L1986 PolarHBondContact O-N 3.24Å; F1984-R1987 PolarHBondContact O-N 3.34Å; F1984-T1988 HydrophobicContact CD2-CG2 4.43Å; F1984-T1988 HydrophobicContact CE1-CG2 4.38Å; F1984-T1988 HydrophobicContact CE2-CG2 4.07Å; F1984-T1988 HydrophobicContact CZ-CG2 4.04Å; F1984-T1988 PolarHBondContact O-N 3.35Å; F1984-T1988 PolarHBondContact O-OG1 3.5Å; F1984-E2008 HydrophobicContact CZ-CB 4.11Å; F1984-N2009 VanDerWaalsContact CE1-OD1 3.3Å; F1984-N2009 WeakPolarHBondContact CE1-OD1 3.44Å
1985E86.2Confident85.7Confident94 Ų9466.5 Ų66.544%0.43934%0.335SS..Hα-helixtrans-61.4-42.8-178.6-51.4-65.7134.900113.7F1982 T1988 A1989 F2005F1982-E1985 PolarHBondContact O-N 2.88Å; E1985-T1988 PolarHBondContact O-OG1 3.04Å; E1985-T1988 VanDerWaalsContact O-OG1 3.05Å; E1985-A1989 VanDerWaalsContact O-CB 3.28Å; E1985-A1989 WeakPolarHBondContact O-CB 3.5Å; E1985-A1989 PolarHBondContact O-N 3.45Å; E1985-F2005 HydrophobicContact CB-CE1 4.41Å; E1985-F2005 WeakPolarHBondContact OE2-CE1 3.39Å
1986L86.1Confident85.8Confident95 Ų9565.3 Ų65.350%0.49733%0.333SS..Hα-helixtrans-69.6-38.8178.2-175.274.7000110.4F1982 F1984 I1990F1982-L1986 WeakPolarHBondContact O-CA 3.35Å; F1982-L1986 WeakPolarHBondContact O-CB 3.48Å; F1982-L1986 PolarHBondContact O-N 3.23Å; F1984-L1986 PolarHBondContact O-N 3.24Å; L1986-I1990 HydrophobicContact CD1-CD1 4.26Å; L1986-I1990 HydrophobicContact CD2-CD1 4.32Å; L1986-I1990 HydrophobicContact CG-CD1 3.82Å; L1986-I1990 WeakPolarHBondContact O-CB 3.24Å; L1986-I1990 VanDerWaalsContact O-CG1 3.23Å; L1986-I1990 WeakPolarHBondContact O-CG1 3.42Å; L1986-I1990 PolarHBondContact O-N 3.12Å
1987R86.6Confident86Confident48 Ų4862.9 Ų62.918%0.18132%0.319CS..Hα-helixtrans-63-53.3175.1177.4-172.3160.8-149.6-19.3110.6N1960 L1983 F1984 A1989 I1990 D1991N1960-R1987 PolarHBondContact ND2-NH1 3.36Å; L1983-R1987 VanDerWaalsContact O-CB 3.31Å; L1983-R1987 WeakPolarHBondContact O-CB 3.42Å; L1983-R1987 PolarHBondContact O-N 3.23Å; F1984-R1987 PolarHBondContact O-N 3.34Å; R1987-A1989 PolarHBondContact O-N 3.45Å; R1987-I1990 PolarHBondContact O-N 3.07Å; R1987-I1990 VanDerWaalsContact O-N 3.16Å; R1987-D1991 VanDerWaalsContact CG-OD2 3.3Å; R1987-D1991 WeakPolarHBondContact CG-OD2 3.37Å; R1987-D1991 IonicContact CZ-OD2 3.15Å; R1987-D1991 IonicContact NE-OD2 2.7Å; R1987-D1991 PolarHBondContact NE-OD2 2.99Å; R1987-D1991 IonicContact NH2-OD2 2.75Å; R1987-D1991 VanDerWaalsContact O-CB 3.3Å; R1987-D1991 WeakPolarHBondContact O-CB 3.24Å; R1987-D1991 PolarHBondContact O-N 3.36Å
1988T87.2Confident86.2Confident1 Ų163.5 Ų63.51%0.00633%0.326CS..Hα-helixtrans-61.7-36.1-177.750.90000111.2F1984 E1985 W1992 F2005 E2008F1984-T1988 HydrophobicContact CD2-CG2 4.43Å; F1984-T1988 HydrophobicContact CE1-CG2 4.38Å; F1984-T1988 HydrophobicContact CE2-CG2 4.07Å; F1984-T1988 HydrophobicContact CZ-CG2 4.04Å; F1984-T1988 PolarHBondContact O-N 3.35Å; F1984-T1988 PolarHBondContact O-OG1 3.5Å; E1985-T1988 PolarHBondContact O-OG1 3.04Å; E1985-T1988 VanDerWaalsContact O-OG1 3.05Å; T1988-W1992 VanDerWaalsContact O-CB 3.25Å; T1988-W1992 WeakPolarHBondContact O-CB 3.28Å; T1988-W1992 PolarHBondContact O-N 3.15Å; T1988-F2005 WeakPolarHBondContact OG1-CE1 3.46Å; T1988-F2005 WeakPolarHBondContact OG1-CZ 3.44Å; T1988-E2008 HydrophobicContact CG2-CB 3.93Å; T1988-E2008 HydrophobicContact CG2-CG 3.82Å
1989A89.1Confident86.3Confident33 Ų3361 Ų6127%0.27331%0.313SS..Hα-helixtrans-63.6-48.4171.300000113.1E1985 R1987 W1992 T1993E1985-A1989 VanDerWaalsContact O-CB 3.28Å; E1985-A1989 WeakPolarHBondContact O-CB 3.5Å; E1985-A1989 PolarHBondContact O-N 3.45Å; R1987-A1989 PolarHBondContact O-N 3.45Å; A1989-W1992 PolarHBondContact O-N 2.89Å; A1989-T1993 WeakPolarHBondContact O-CG2 3.48Å; A1989-T1993 PolarHBondContact O-N 3.1Å; A1989-T1993 PolarHBondContact O-OG1 2.74Å
1990I88.5Confident86.6Confident22 Ų2257 Ų5711%0.11330%0.295CS..Hα-helixtrans-65.3-45.3179-68.2165.9000111.2I1884 R1887 L1986 R1987 W1992 T1993 W1994I1884-I1990 HydrophobicContact CG1-CD1 3.97Å; I1884-I1990 HydrophobicContact CG2-CD1 4.49Å; R1887-I1990 HydrophobicContact CB-CG2 4.29Å; R1887-I1990 HydrophobicContact CG-CG2 3.64Å; L1986-I1990 HydrophobicContact CD1-CD1 4.26Å; L1986-I1990 HydrophobicContact CD2-CD1 4.32Å; L1986-I1990 HydrophobicContact CG-CD1 3.82Å; L1986-I1990 WeakPolarHBondContact O-CB 3.24Å; L1986-I1990 VanDerWaalsContact O-CG1 3.23Å; L1986-I1990 WeakPolarHBondContact O-CG1 3.42Å; L1986-I1990 PolarHBondContact O-N 3.12Å; R1987-I1990 PolarHBondContact O-N 3.07Å; R1987-I1990 VanDerWaalsContact O-N 3.16Å; I1990-W1992 VanDerWaalsContact C-N 3.3Å; I1990-W1992 PolarHBondContact O-N 3.42Å; I1990-T1993 WeakPolarHBondContact CA-OG1 3.41Å; I1990-T1993 PolarHBondContact O-N 3.37Å; I1990-T1993 VanDerWaalsContact O-N 3.11Å; I1990-T1993 PolarHBondContact O-OG1 3.29Å; I1990-W1994 PolarHBondContact O-N 3.12Å; I1990-W1994 VanDerWaalsContact O-N 3.11Å
1991D87.3Confident86.9Confident10 Ų1056.2 Ų56.25%0.05329%0.291CS..Hα-helixtrans-61.6-39178.5-70.9-6000110R1887 R1987 T1995 F2004R1887-D1991 IonicContact CZ-OD1 3.59Å; R1887-D1991 IonicContact NE-OD1 3.43Å; R1887-D1991 PolarHBondContact NE-OD1 3.29Å; R1887-D1991 IonicContact NH2-OD1 3.61Å; R1887-D1991 PolarHBondContact NH2-OD1 3.29Å; R1887-D1991 IonicContact NH2-OD2 3.21Å; R1887-D1991 PolarHBondContact NH2-OD2 3.21Å; R1987-D1991 VanDerWaalsContact CG-OD2 3.3Å; R1987-D1991 WeakPolarHBondContact CG-OD2 3.37Å; R1987-D1991 IonicContact CZ-OD2 3.15Å; R1987-D1991 IonicContact NE-OD2 2.7Å; R1987-D1991 PolarHBondContact NE-OD2 2.99Å; R1987-D1991 IonicContact NH2-OD2 2.75Å; R1987-D1991 VanDerWaalsContact O-CB 3.3Å; R1987-D1991 WeakPolarHBondContact O-CB 3.24Å; R1987-D1991 PolarHBondContact O-N 3.36Å; D1991-T1995 WeakPolarHBondContact O-CB 3.26Å; D1991-T1995 PolarHBondContact O-N 3.22Å; D1991-T1995 VanDerWaalsContact O-N 3.1Å; D1991-T1995 PolarHBondContact O-OG1 3.48Å; D1991-F2004 HydrophobicContact CB-CZ 4.46Å
1992W90.8Very high87.2Confident88 Ų8859.1 Ų59.133%0.33329%0.294SS..Hα-helixtrans-65.9-39.7170.717882.4000113.3T1988 A1989 I1990 W1994 M1999 L2001 F2004T1988-W1992 VanDerWaalsContact O-CB 3.25Å; T1988-W1992 WeakPolarHBondContact O-CB 3.28Å; T1988-W1992 PolarHBondContact O-N 3.15Å; A1989-W1992 PolarHBondContact O-N 2.89Å; I1990-W1992 VanDerWaalsContact C-N 3.3Å; I1990-W1992 PolarHBondContact O-N 3.42Å; W1992-W1994 PolarHBondContact O-N 3.06Å; W1992-M1999 PolarHBondContact NE1-O 3.09Å; W1992-L2001 HydrophobicContact CB-CD1 4.18Å; W1992-L2001 HydrophobicContact CD2-CB 4.35Å; W1992-L2001 HydrophobicContact CD2-CD1 3.66Å; W1992-L2001 HydrophobicContact CE3-CD1 3.71Å; W1992-L2001 HydrophobicContact CG-CD1 3.87Å; W1992-L2001 HydrophobicContact CZ2-CB 4.21Å; W1992-L2001 HydrophobicContact CZ3-CD1 4.35Å; W1992-F2004 HydrophobicContact CB-CD1 4.13Å; W1992-F2004 HydrophobicContact CB-CD2 4.35Å; W1992-F2004 HydrophobicContact CB-CE1 4.15Å; W1992-F2004 HydrophobicContact CB-CE2 4.34Å; W1992-F2004 HydrophobicContact CB-CG 4.24Å; W1992-F2004 HydrophobicContact CB-CZ 4.25Å; W1992-F2004 AromaticContact CD1-CD2 3.75Å; W1992-F2004 AromaticContact CD1-CG 3.85Å; W1992-F2004 HydrophobicContact CG-CD2 4.47Å; W1992-F2004 HydrophobicContact CG-CG 4.4Å
1993T90.2Very high87.5Confident65 Ų6551.4 Ų51.440%0.39926%0.26SS..Hα-helixtrans-67.2-36.4-179.152.30000114.1A1989 I1990A1989-T1993 WeakPolarHBondContact O-CG2 3.48Å; A1989-T1993 PolarHBondContact O-N 3.1Å; A1989-T1993 PolarHBondContact O-OG1 2.74Å; I1990-T1993 WeakPolarHBondContact CA-OG1 3.41Å; I1990-T1993 PolarHBondContact O-N 3.37Å; I1990-T1993 VanDerWaalsContact O-N 3.11Å; I1990-T1993 PolarHBondContact O-OG1 3.29Å
1994W87.7Confident87.9Confident107 Ų10749.7 Ų49.741%0.40525%0.251SS..Hα-helixtrans-109-0.1-172.9-56.5144.5000115.1A1888 L1891 I1990 W1992A1888-W1994 HydrophobicContact CB-CG 4.42Å; L1891-W1994 HydrophobicContact CB-CB 4.24Å; L1891-W1994 HydrophobicContact CD1-CB 3.92Å; I1990-W1994 PolarHBondContact O-N 3.12Å; I1990-W1994 VanDerWaalsContact O-N 3.11Å; W1992-W1994 PolarHBondContact O-N 3.06Å
1995T84.9Confident88.2Confident44 Ų4450.5 Ų50.527%0.2725%0.254SS..SBendtrans-101.6132.7169.8-48.50000109.4D1991 T1997 R2403D1991-T1995 WeakPolarHBondContact O-CB 3.26Å; D1991-T1995 PolarHBondContact O-N 3.22Å; D1991-T1995 VanDerWaalsContact O-N 3.1Å; D1991-T1995 PolarHBondContact O-OG1 3.48Å; T1995-T1997 PolarHBondContact O-N 2.98Å; T1995-R2403 HydrophobicContact CG2-CG 4.19Å
1996D86.6Confident88.4Confident72 Ų7249.3 Ų49.339%0.38525%0.251SS..  trans-67.4117.4172.2-51.8-33.5000108.8R2403 K2406 F2408D1996-R2403 WeakPolarHBondContact O-CG 3.33Å; D1996-K2406 WeakPolarHBondContact OD2-CE 3.33Å; D1996-K2406 IonicContact OD2-NZ 3.43Å; D1996-K2406 PolarHBondContact OD2-NZ 3.42Å; D1996-F2408 HydrophobicContact CB-CE1 4.41Å; D1996-F2408 HydrophobicContact CB-CZ 3.89Å; D1996-F2408 WeakPolarHBondContact O-CE1 3.28Å
1997T88.2Confident88.5Confident31 Ų3144.8 Ų44.819%0.1923%0.227CC..  trans-149.7154.9178.3176.80000110.1T1995 M1999 F2004 E2411T1995-T1997 PolarHBondContact O-N 2.98Å; T1997-M1999 PolarHBondContact OG1-N 3.38Å; T1997-F2004 HydrophobicContact CG2-CD2 4.19Å; T1997-F2004 HydrophobicContact CG2-CE2 4.28Å; T1997-E2411 VanDerWaalsContact OG1-CD 3.28Å; T1997-E2411 PolarHBondContact OG1-OE1 2.97Å; T1997-E2411 PolarHBondContact OG1-OE2 3.19Å
1998S86.7Confident88.6Confident36 Ų3642.9 Ų42.925%0.25222%0.22SC..  trans-99.2-6.2177.167.20000114.5F2408 E2411 Q2412S1998-F2408 PolarHBondContact OG-O 3.03Å; S1998-E2411 PolarHBondContact N-OE2 3.1Å; S1998-E2411 PolarHBondContact OG-OE2 3.43Å; S1998-Q2412 VanDerWaalsContact CB-NE2 3.31Å; S1998-Q2412 WeakPolarHBondContact OG-CG 3.44Å; S1998-Q2412 PolarHBondContact OG-NE2 2.64Å
1999M85.6Confident88.7Confident3 Ų346 Ų462%0.01524%0.237CC..SBendtrans-76.5136.8178.3-61.3-169.5-168.200111.7W1992 T1997 F2004 M2007 I2399 E2411 F2415W1992-M1999 PolarHBondContact NE1-O 3.09Å; T1997-M1999 PolarHBondContact OG1-N 3.38Å; M1999-F2004 HydrophobicContact CB-CB 4.48Å; M1999-M2007 HydrophobicContact SD-CB 4.44Å; M1999-I2399 HydrophobicContact CE-CG2 3.68Å; M1999-E2411 HydrophobicContact CE-CG 3.47Å; M1999-E2411 VanDerWaalsContact CE-CG 3.47Å; M1999-E2411 HydrophobicContact CG-CG 4.32Å; M1999-F2415 HydrophobicContact CE-CB 3.54Å; M1999-F2415 HydrophobicContact CE-CD1 4.36Å; M1999-F2415 HydrophobicContact CE-CD2 4.01Å; M1999-F2415 HydrophobicContact CE-CG 3.72Å; M1999-F2415 HydrophobicContact SD-CD1 4.29Å; M1999-F2415 HydrophobicContact SD-CD2 4.18Å; M1999-F2415 HydrophobicContact SD-CE2 4.48Å; M1999-F2415 HydrophobicContact SD-CG 4.08Å
2000P89.4Confident88.8Confident52 Ų5247 Ų4734%0.33824%0.236SC..  trans-68.1151.7168.230.6-33.4000110.6Y1392 F2002 D2003 F2004Y1392-P2000 HydrophobicContact CD1-CG 4.34Å; Y1392-P2000 HydrophobicContact CE1-CG 3.56Å; Y1392-P2000 WeakPolarHBondContact OH-CD 3.49Å; P2000-F2002 VanDerWaalsContact C-N 3.35Å; P2000-F2002 PolarHBondContact O-N 2.97Å; P2000-F2002 VanDerWaalsContact O-N 3.13Å; P2000-D2003 HydrophobicContact CG-CB 4.05Å; P2000-D2003 PolarHBondContact O-N 2.88Å; P2000-F2004 PolarHBondContact O-N 3.43Å; P2000-F2004 VanDerWaalsContact O-N 3.08Å
2001L88.6Confident88.8Confident56 Ų5646.8 Ų46.829%0.29323%0.234SC..Hα-helixtrans-44.1-51.4-173.2-175.966.8000114.2W1992 D2003 F2004 F2005W1992-L2001 HydrophobicContact CB-CD1 4.18Å; W1992-L2001 HydrophobicContact CD2-CB 4.35Å; W1992-L2001 HydrophobicContact CD2-CD1 3.66Å; W1992-L2001 HydrophobicContact CE3-CD1 3.71Å; W1992-L2001 HydrophobicContact CG-CD1 3.87Å; W1992-L2001 HydrophobicContact CZ2-CB 4.21Å; W1992-L2001 HydrophobicContact CZ3-CD1 4.35Å; L2001-D2003 VanDerWaalsContact C-N 3.28Å; L2001-D2003 PolarHBondContact O-N 3.29Å; L2001-F2004 WeakPolarHBondContact O-CB 3.38Å; L2001-F2004 PolarHBondContact O-N 3.16Å; L2001-F2005 HydrophobicContact CD1-CD2 4.03Å; L2001-F2005 HydrophobicContact CD1-CE2 3.72Å; L2001-F2005 HydrophobicContact CD2-CE2 4.37Å; L2001-F2005 HydrophobicContact CG-CD2 3.91Å; L2001-F2005 HydrophobicContact CG-CE2 3.83Å; L2001-F2005 VanDerWaalsContact O-CD2 3.3Å; L2001-F2005 WeakPolarHBondContact O-CD2 3.49Å; L2001-F2005 PolarHBondContact O-N 3.42Å
2002F89.4Confident88.9Confident165 Ų16546.4 Ų46.472%0.72423%0.232SC*.Hα-helixtrans-64.3-28.4-178.4-67.6-65.6000114.2P2000 F2005 N2006P2000-F2002 VanDerWaalsContact C-N 3.35Å; P2000-F2002 PolarHBondContact O-N 2.97Å; P2000-F2002 VanDerWaalsContact O-N 3.13Å; F2002-F2005 WeakPolarHBondContact O-CB 3.37Å; F2002-N2006 VanDerWaalsContact O-CG 3.23Å; F2002-N2006 PolarHBondContact O-N 2.98Å; F2002-N2006 PolarHBondContact O-ND2 3.34Å
2003D90.3Very high88.7Confident7 Ų745.7 Ų45.74%0.03723%0.232CC..Hα-helixtrans-82.9-33.2177.4-76.9-25.8000112.2Y1392 K1396 P2000 L2001 F2005 N2006 M2007 F2415Y1392-D2003 WeakPolarHBondContact CE1-OD2 3.43Å; Y1392-D2003 WeakPolarHBondContact OH-CB 3.19Å; Y1392-D2003 VanDerWaalsContact OH-CG 3.3Å; Y1392-D2003 PolarHBondContact OH-OD2 3.02Å; K1396-D2003 WeakPolarHBondContact CE-OD1 3.41Å; K1396-D2003 WeakPolarHBondContact CE-OD2 3.42Å; K1396-D2003 IonicContact NZ-OD1 2.95Å; K1396-D2003 PolarHBondContact NZ-OD1 2.95Å; K1396-D2003 IonicContact NZ-OD2 2.73Å; K1396-D2003 PolarHBondContact NZ-OD2 3.32Å; P2000-D2003 HydrophobicContact CG-CB 4.05Å; P2000-D2003 PolarHBondContact O-N 2.88Å; L2001-D2003 VanDerWaalsContact C-N 3.28Å; L2001-D2003 PolarHBondContact O-N 3.29Å; D2003-F2005 VanDerWaalsContact C-N 3.32Å; D2003-N2006 PolarHBondContact O-N 2.95Å; D2003-N2006 PolarHBondContact OD1-ND2 2.9Å; D2003-M2007 WeakPolarHBondContact O-CB 3.07Å; D2003-M2007 PolarHBondContact O-N 2.97Å; D2003-F2415 HydrophobicContact CB-CE1 3.59Å; D2003-F2415 HydrophobicContact CB-CZ 3.66Å; D2003-F2415 WeakPolarHBondContact O-CZ 3.48Å
2004F90.8Very high88.7Confident2 Ų242.6 Ų42.61%0.00921%0.213CC..Hα-helixtrans-58.4-45165.3-168.9-78.9000110.9D1991 W1992 T1997 M1999 P2000 L2001 N2006 M2007 E2008 R2403D1991-F2004 HydrophobicContact CB-CZ 4.46Å; W1992-F2004 HydrophobicContact CB-CD1 4.13Å; W1992-F2004 HydrophobicContact CB-CD2 4.35Å; W1992-F2004 HydrophobicContact CB-CE1 4.15Å; W1992-F2004 HydrophobicContact CB-CE2 4.34Å; W1992-F2004 HydrophobicContact CB-CG 4.24Å; W1992-F2004 HydrophobicContact CB-CZ 4.25Å; W1992-F2004 AromaticContact CD1-CD2 3.75Å; W1992-F2004 AromaticContact CD1-CG 3.85Å; W1992-F2004 HydrophobicContact CG-CD2 4.47Å; W1992-F2004 HydrophobicContact CG-CG 4.4Å; T1997-F2004 HydrophobicContact CG2-CD2 4.19Å; T1997-F2004 HydrophobicContact CG2-CE2 4.28Å; M1999-F2004 HydrophobicContact CB-CB 4.48Å; P2000-F2004 PolarHBondContact O-N 3.43Å; P2000-F2004 VanDerWaalsContact O-N 3.08Å; L2001-F2004 WeakPolarHBondContact O-CB 3.38Å; L2001-F2004 PolarHBondContact O-N 3.16Å; F2004-N2006 PolarHBondContact O-N 3.27Å; F2004-M2007 WeakPolarHBondContact O-CB 3.36Å; F2004-M2007 PolarHBondContact O-N 3.48Å; F2004-E2008 HydrophobicContact CD1-CG 4.03Å; F2004-E2008 HydrophobicContact CE1-CG 3.83Å; F2004-E2008 WeakPolarHBondContact O-CG 3.35Å; F2004-E2008 PolarHBondContact O-N 2.66Å; F2004-R2403 VanDerWaalsContact CE2-CZ 3.48Å
2005F92.1Very high88.8Confident29 Ų2937.5 Ų37.513%0.12719%0.194CC..Hα-helixtrans-58.5-43.2172.1-92.6-75.5000113.1E1985 T1988 L2001 F2002 D2003 N2009E1985-F2005 HydrophobicContact CB-CE1 4.41Å; E1985-F2005 WeakPolarHBondContact OE2-CE1 3.39Å; T1988-F2005 WeakPolarHBondContact OG1-CE1 3.46Å; T1988-F2005 WeakPolarHBondContact OG1-CZ 3.44Å; L2001-F2005 HydrophobicContact CD1-CD2 4.03Å; L2001-F2005 HydrophobicContact CD1-CE2 3.72Å; L2001-F2005 HydrophobicContact CD2-CE2 4.37Å; L2001-F2005 HydrophobicContact CG-CD2 3.91Å; L2001-F2005 HydrophobicContact CG-CE2 3.83Å; L2001-F2005 VanDerWaalsContact O-CD2 3.3Å; L2001-F2005 WeakPolarHBondContact O-CD2 3.49Å; L2001-F2005 PolarHBondContact O-N 3.42Å; F2002-F2005 WeakPolarHBondContact O-CB 3.37Å; D2003-F2005 VanDerWaalsContact C-N 3.32Å; F2005-N2009 WeakPolarHBondContact O-CB 3.3Å; F2005-N2009 PolarHBondContact O-N 3.02Å; F2005-N2009 PolarHBondContact O-ND2 3.41Å; F2005-N2009 VanDerWaalsContact O-ND2 3.08Å
2006N90.1Very high89Confident69 Ų6936.6 Ų36.637%0.36919%0.187SC..Hα-helixtrans-63.6-43.1176.4-70.9-36.4000111.7F2002 D2003 F2004 N2009 F2010F2002-N2006 VanDerWaalsContact O-CG 3.23Å; F2002-N2006 PolarHBondContact O-N 2.98Å; F2002-N2006 PolarHBondContact O-ND2 3.34Å; D2003-N2006 PolarHBondContact O-N 2.95Å; D2003-N2006 PolarHBondContact OD1-ND2 2.9Å; F2004-N2006 PolarHBondContact O-N 3.27Å; N2006-N2009 PolarHBondContact O-N 2.89Å; N2006-F2010 HydrophobicContact CB-CE2 4.23Å; N2006-F2010 WeakPolarHBondContact O-CD2 3.41Å; N2006-F2010 WeakPolarHBondContact O-CG 3.4Å; N2006-F2010 PolarHBondContact O-N 3.49Å
2007M88.8Confident89.1Confident0 Ų033.8 Ų33.80%017%0.172CC..Hα-helixtrans-59.9-49.3177.4-175.8-81.7-157.300112M1999 D2003 F2004 N2009 F2010 Y2011 I2399 Y2400 F2415M1999-M2007 HydrophobicContact SD-CB 4.44Å; D2003-M2007 WeakPolarHBondContact O-CB 3.07Å; D2003-M2007 PolarHBondContact O-N 2.97Å; F2004-M2007 WeakPolarHBondContact O-CB 3.36Å; F2004-M2007 PolarHBondContact O-N 3.48Å; M2007-N2009 PolarHBondContact O-N 2.83Å; M2007-F2010 PolarHBondContact O-N 3.05Å; M2007-Y2011 PolarHBondContact O-N 3.13Å; M2007-I2399 HydrophobicContact CE-CB 3.82Å; M2007-I2399 HydrophobicContact CE-CG2 3.38Å; M2007-Y2400 HydrophobicContact CE-CD1 3.85Å; M2007-Y2400 HydrophobicContact CE-CD2 4.34Å; M2007-Y2400 HydrophobicContact CE-CE1 3.6Å; M2007-Y2400 HydrophobicContact CE-CE2 4.12Å; M2007-Y2400 HydrophobicContact CE-CG 4.2Å; M2007-Y2400 HydrophobicContact SD-CE1 4.12Å; M2007-F2415 HydrophobicContact CB-CD2 4.15Å; M2007-F2415 HydrophobicContact CB-CE2 3.78Å; M2007-F2415 HydrophobicContact CG-CD2 4.33Å; M2007-F2415 HydrophobicContact CG-CE2 4.44Å
2008E89.2Confident89.1Confident8 Ų833.8 Ų33.84%0.03717%0.169CC..Hα-helixtrans-63-39.6176.9-72.8-79.2171.400111.9F1984 T1988 F2004 Y2011 A2012 Y2400F1984-E2008 HydrophobicContact CZ-CB 4.11Å; T1988-E2008 HydrophobicContact CG2-CB 3.93Å; T1988-E2008 HydrophobicContact CG2-CG 3.82Å; F2004-E2008 HydrophobicContact CD1-CG 4.03Å; F2004-E2008 HydrophobicContact CE1-CG 3.83Å; F2004-E2008 WeakPolarHBondContact O-CG 3.35Å; F2004-E2008 PolarHBondContact O-N 2.66Å; E2008-Y2011 PolarHBondContact O-N 3.42Å; E2008-A2012 VanDerWaalsContact O-CB 3.27Å; E2008-A2012 WeakPolarHBondContact O-CB 3.4Å; E2008-A2012 PolarHBondContact O-N 2.78Å; E2008-Y2400 PolarHBondContact OE1-OH 2.88Å; E2008-Y2400 PolarHBondContact OE2-OH 3.12Å
2009N89.4Confident89.3Confident68 Ų6832 Ų3236%0.36416%0.157SC..Hα-helixtrans-63.4-42.1174.4-81.9-38.5000112.7F1984 F2005 N2006 M2007 A2012 H2013F1984-N2009 VanDerWaalsContact CE1-OD1 3.3Å; F1984-N2009 WeakPolarHBondContact CE1-OD1 3.44Å; F2005-N2009 WeakPolarHBondContact O-CB 3.3Å; F2005-N2009 PolarHBondContact O-N 3.02Å; F2005-N2009 PolarHBondContact O-ND2 3.41Å; F2005-N2009 VanDerWaalsContact O-ND2 3.08Å; N2006-N2009 PolarHBondContact O-N 2.89Å; M2007-N2009 PolarHBondContact O-N 2.83Å; N2009-A2012 PolarHBondContact O-N 3.04Å; N2009-H2013 PolarHBondContact O-N 3.41Å
2010F89.7Confident89.4Confident54 Ų5433.5 Ų33.524%0.23717%0.17CC..Hα-helixtrans-63.8-48.7174.6-66.2-46.2000111.4N2006 M2007 A2012 H2013 I2014 L2418 F2422N2006-F2010 HydrophobicContact CB-CE2 4.23Å; N2006-F2010 WeakPolarHBondContact O-CD2 3.41Å; N2006-F2010 WeakPolarHBondContact O-CG 3.4Å; N2006-F2010 PolarHBondContact O-N 3.49Å; M2007-F2010 PolarHBondContact O-N 3.05Å; F2010-A2012 VanDerWaalsContact C-N 3.3Å; F2010-A2012 PolarHBondContact O-N 2.92Å; F2010-H2013 PolarHBondContact O-N 2.71Å; F2010-H2013 VanDerWaalsContact O-N 3.16Å; F2010-I2014 HydrophobicContact CB-CD1 4.46Å; F2010-I2014 WeakPolarHBondContact O-CB 3.31Å; F2010-I2014 WeakPolarHBondContact O-CD1 3.4Å; F2010-I2014 VanDerWaalsContact O-CG1 3.25Å; F2010-I2014 WeakPolarHBondContact O-CG1 3.5Å; F2010-I2014 PolarHBondContact O-N 3.19Å; F2010-L2418 HydrophobicContact CB-CD2 4.43Å; F2010-L2418 HydrophobicContact CD2-CD2 4.17Å; F2010-F2422 HydrophobicContact CB-CE2 3.98Å; F2010-F2422 HydrophobicContact CB-CZ 4.39Å; F2010-F2422 AromaticContact CD1-CD2 3.88Å; F2010-F2422 HydrophobicContact CD1-CD2 3.88Å; F2010-F2422 HydrophobicContact CD1-CE1 4.37Å; F2010-F2422 AromaticContact CD1-CE2 3.71Å; F2010-F2422 HydrophobicContact CD1-CE2 3.71Å; F2010-F2422 HydrophobicContact CD1-CG 4.28Å; F2010-F2422 AromaticContact CD1-CZ 3.98Å; F2010-F2422 HydrophobicContact CD1-CZ 3.98Å; F2010-F2422 HydrophobicContact CD2-CD2 4.31Å; F2010-F2422 HydrophobicContact CD2-CE2 4.33Å; F2010-F2422 HydrophobicContact CE1-CB 4.49Å; F2010-F2422 HydrophobicContact CE1-CD1 4.42Å; F2010-F2422 AromaticContact CE1-CD2 3.96Å; F2010-F2422 HydrophobicContact CE1-CD2 3.96Å; F2010-F2422 HydrophobicContact CE1-CE2 4.27Å; F2010-F2422 HydrophobicContact CE1-CG 4.04Å; F2010-F2422 HydrophobicContact CE2-CD2 4.38Å; F2010-F2422 HydrophobicContact CG-CD2 4.08Å; F2010-F2422 AromaticContact CG-CE2 3.76Å; F2010-F2422 HydrophobicContact CG-CE2 3.76Å; F2010-F2422 HydrophobicContact CG-CZ 4.34Å; F2010-F2422 HydrophobicContact CZ-CD2 4.21Å; F2010-F2422 HydrophobicContact CZ-CG 4.44Å
2011Y90Very high89.3Confident17 Ų1733.8 Ų33.87%0.06716%0.164CC..Hα-helixtrans-55.8-45.2176.7173.7-107.5000111.5T1963 M2007 E2008 H2013 I2014 F2015 L2393 C2396 L2397 Y2400T1963-Y2011 WeakPolarHBondContact CB-OH 3.44Å; T1963-Y2011 HydrophobicContact CG2-CE1 4.2Å; T1963-Y2011 PolarHBondContact OG1-OH 3.27Å; M2007-Y2011 PolarHBondContact O-N 3.13Å; E2008-Y2011 PolarHBondContact O-N 3.42Å; Y2011-H2013 PolarHBondContact O-N 2.93Å; Y2011-I2014 PolarHBondContact O-N 2.69Å; Y2011-F2015 VanDerWaalsContact O-CB 3.22Å; Y2011-F2015 WeakPolarHBondContact O-CB 3.32Å; Y2011-F2015 PolarHBondContact O-N 3.08Å; Y2011-L2393 HydrophobicContact CD2-CD1 3.87Å; Y2011-L2393 HydrophobicContact CE2-CD1 3.57Å; Y2011-C2396 HydrophobicContact CD2-CB 3.66Å; Y2011-C2396 HydrophobicContact CG-CB 4.41Å; Y2011-L2397 HydrophobicContact CE2-CD2 4.4Å; Y2011-Y2400 HydrophobicContact CD1-CE2 4.24Å; Y2011-Y2400 WeakPolarHBondContact CD1-OH 3.4Å; Y2011-Y2400 AromaticContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CE1-CE2 4.34Å; Y2011-Y2400 HydrophobicContact CE2-CE2 4.01Å; Y2011-Y2400 HydrophobicContact CG-CE2 4.03Å
2012A88.3Confident89Confident2 Ų235.3 Ų35.32%0.01717%0.17CC..Hα-helixtrans-63.8-38.1178.100000113.4F1974 M1978 E2008 N2009 F2010 N2016F1974-A2012 HydrophobicContact CE1-CB 3.79Å; F1974-A2012 HydrophobicContact CZ-CB 3.64Å; M1978-A2012 HydrophobicContact CE-CB 3.4Å; M1978-A2012 VanDerWaalsContact CE-CB 3.4Å; M1978-A2012 HydrophobicContact SD-CB 3.77Å; E2008-A2012 VanDerWaalsContact O-CB 3.27Å; E2008-A2012 WeakPolarHBondContact O-CB 3.4Å; E2008-A2012 PolarHBondContact O-N 2.78Å; N2009-A2012 PolarHBondContact O-N 3.04Å; F2010-A2012 VanDerWaalsContact C-N 3.3Å; F2010-A2012 PolarHBondContact O-N 2.92Å; A2012-N2016 PolarHBondContact O-N 2.94Å; A2012-N2016 PolarHBondContact O-ND2 3.07Å
2013H87.7Confident88.7Confident72 Ų7231 Ų3133%0.33315%0.151SC..Hα-helixtrans-69.2-46.3175.8-165.4-85.9000111.6N2009 F2010 Y2011 N2016 I2017 F2383N2009-H2013 PolarHBondContact O-N 3.41Å; F2010-H2013 PolarHBondContact O-N 2.71Å; F2010-H2013 VanDerWaalsContact O-N 3.16Å; Y2011-H2013 PolarHBondContact O-N 2.93Å; H2013-N2016 PolarHBondContact O-N 3.19Å; H2013-I2017 WeakPolarHBondContact O-CG1 3.38Å; H2013-I2017 PolarHBondContact O-N 3.21Å; H2013-F2383 PolarHBondContact CE1-O 3.04Å
2014I89.7Confident88.3Confident1 Ų135.8 Ų35.81%0.00517%0.173CC..Hα-helixtrans-60.9-45.6177.1-65.5159000110.9F2010 Y2011 N2016 I2017 K2018 A2389 L2392 L2393 F2422F2010-I2014 HydrophobicContact CB-CD1 4.46Å; F2010-I2014 WeakPolarHBondContact O-CB 3.31Å; F2010-I2014 WeakPolarHBondContact O-CD1 3.4Å; F2010-I2014 VanDerWaalsContact O-CG1 3.25Å; F2010-I2014 WeakPolarHBondContact O-CG1 3.5Å; F2010-I2014 PolarHBondContact O-N 3.19Å; Y2011-I2014 PolarHBondContact O-N 2.69Å; I2014-N2016 VanDerWaalsContact C-N 3.34Å; I2014-N2016 PolarHBondContact O-N 3.42Å; I2014-I2017 PolarHBondContact O-N 3.36Å; I2014-I2017 VanDerWaalsContact O-N 3.12Å; I2014-K2018 PolarHBondContact O-N 2.86Å; I2014-A2389 HydrophobicContact CG2-CB 4.31Å; I2014-L2392 HydrophobicContact CD1-CB 3.76Å; I2014-L2392 HydrophobicContact CG1-CB 4.11Å; I2014-L2392 HydrophobicContact CG1-CD1 4.42Å; I2014-L2392 HydrophobicContact CG2-CB 4.09Å; I2014-L2393 HydrophobicContact CG2-CB 3.78Å; I2014-L2393 HydrophobicContact CG2-CD1 4.13Å; I2014-F2422 HydrophobicContact CD1-CE2 4.25Å; I2014-F2422 HydrophobicContact CD1-CZ 3.98Å; I2014-F2422 HydrophobicContact CG1-CZ 4.21Å
2015F89Confident87.6Confident0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-58.3-43.8177.1175.8-97.3000112.1L1962 T1963 Y1966 F1974 Y2011 I2017 K2018 C2019L1962-F2015 WeakPolarHBondContact O-CZ 3.49Å; T1963-F2015 VanDerWaalsContact CA-CE2 3.44Å; T1963-F2015 HydrophobicContact CG2-CD1 3.99Å; T1963-F2015 HydrophobicContact CG2-CD2 3.98Å; T1963-F2015 HydrophobicContact CG2-CE1 3.89Å; T1963-F2015 HydrophobicContact CG2-CE2 3.89Å; T1963-F2015 HydrophobicContact CG2-CG 4.04Å; T1963-F2015 HydrophobicContact CG2-CZ 3.86Å; T1963-F2015 WeakPolarHBondContact O-CE2 3.4Å; Y1966-F2015 AromaticContact CD1-CD2 3.94Å; Y1966-F2015 HydrophobicContact CD1-CD2 3.94Å; Y1966-F2015 AromaticContact CD1-CE2 3.54Å; Y1966-F2015 HydrophobicContact CD1-CE2 3.54Å; Y1966-F2015 HydrophobicContact CD1-CZ 4.48Å; Y1966-F2015 AromaticContact CE1-CD2 3.77Å; Y1966-F2015 HydrophobicContact CE1-CD2 3.77Å; Y1966-F2015 AromaticContact CE1-CE2 3.65Å; Y1966-F2015 HydrophobicContact CE1-CE2 3.65Å; F1974-F2015 HydrophobicContact CB-CD1 4.49Å; F1974-F2015 HydrophobicContact CB-CE1 3.91Å; F1974-F2015 AromaticContact CD1-CD1 3.53Å; F1974-F2015 HydrophobicContact CD1-CD1 3.53Å; F1974-F2015 AromaticContact CD1-CE1 3.83Å; F1974-F2015 HydrophobicContact CD1-CE1 3.83Å; F1974-F2015 HydrophobicContact CD2-CD1 4.47Å; F1974-F2015 HydrophobicContact CD2-CE1 4.38Å; F1974-F2015 AromaticContact CE1-CD1 3.76Å; F1974-F2015 HydrophobicContact CE1-CD1 3.76Å; F1974-F2015 HydrophobicContact CE1-CE1 4.45Å; F1974-F2015 AromaticContact CG-CD1 3.92Å; F1974-F2015 HydrophobicContact CG-CD1 3.92Å; F1974-F2015 AromaticContact CG-CE1 3.78Å; F1974-F2015 HydrophobicContact CG-CE1 3.78Å; F1974-F2015 HydrophobicContact CZ-CD1 4.33Å; Y2011-F2015 VanDerWaalsContact O-CB 3.22Å; Y2011-F2015 WeakPolarHBondContact O-CB 3.32Å; Y2011-F2015 PolarHBondContact O-N 3.08Å; F2015-I2017 VanDerWaalsContact C-N 3.3Å; F2015-I2017 PolarHBondContact O-N 2.88Å; F2015-K2018 PolarHBondContact O-N 2.8Å; F2015-C2019 VanDerWaalsContact CE1-SG 3.57Å; F2015-C2019 WeakPolarHBondContact CZ-SG 3.32Å; F2015-C2019 PolarHBondContact O-N 3.18Å; F2015-C2019 PolarHBondContact O-SG 3.1Å; F2015-C2019 VanDerWaalsContact O-SG 3.34Å
2016N89Confident86.6Confident25 Ų2538.8 Ų38.813%0.13420%0.203CC..Hα-helixtrans-61.1-37.3175.9-85.9-65.1000112.6K1975 A2012 H2013 I2014 A2020K1975-N2016 WeakPolarHBondContact CE-OD1 3.34Å; K1975-N2016 WeakPolarHBondContact CG-OD1 3.45Å; A2012-N2016 PolarHBondContact O-N 2.94Å; A2012-N2016 PolarHBondContact O-ND2 3.07Å; H2013-N2016 PolarHBondContact O-N 3.19Å; I2014-N2016 VanDerWaalsContact C-N 3.34Å; I2014-N2016 PolarHBondContact O-N 3.42Å; N2016-A2020 WeakPolarHBondContact O-CB 3.46Å; N2016-A2020 PolarHBondContact O-N 3.03Å; N2016-A2020 VanDerWaalsContact O-N 3.08Å
2017I89.5Confident85.9Confident13 Ų1338.6 Ų38.67%0.06720%0.198CC..Hα-helixtrans-68.5-46.3175.1-62.6162.6000110.5H2013 I2014 F2015 C2019 A2020 R2021 F2383 L2386 A2389H2013-I2017 WeakPolarHBondContact O-CG1 3.38Å; H2013-I2017 PolarHBondContact O-N 3.21Å; I2014-I2017 PolarHBondContact O-N 3.36Å; I2014-I2017 VanDerWaalsContact O-N 3.12Å; F2015-I2017 VanDerWaalsContact C-N 3.3Å; F2015-I2017 PolarHBondContact O-N 2.88Å; I2017-C2019 VanDerWaalsContact C-N 3.31Å; I2017-C2019 PolarHBondContact O-N 3.2Å; I2017-A2020 WeakPolarHBondContact O-CA 3.31Å; I2017-A2020 WeakPolarHBondContact O-CB 3.5Å; I2017-A2020 PolarHBondContact O-N 3.34Å; I2017-R2021 HydrophobicContact CG2-CG 4.27Å; I2017-R2021 WeakPolarHBondContact O-CG 3.43Å; I2017-R2021 PolarHBondContact O-N 3.17Å; I2017-F2383 WeakPolarHBondContact CD1-O 3.35Å; I2017-L2386 HydrophobicContact CD1-CD1 4.16Å; I2017-A2389 HydrophobicContact CB-CB 4.37Å; I2017-A2389 HydrophobicContact CG2-CB 3.95Å
2018K88.9Confident85.2Confident30 Ų3040 Ų4013%0.1321%0.207CC..Hα-helixtrans-55.8-45.9176.8177.653.8162.3-173.20111.5Y1966 I2014 F2015 A2020 R2021 Q2022 D2390 L2393Y1966-K2018 HydrophobicContact CD1-CB 4.33Å; Y1966-K2018 HydrophobicContact CD1-CG 3.53Å; Y1966-K2018 HydrophobicContact CD2-CG 4.14Å; Y1966-K2018 HydrophobicContact CE1-CG 3.89Å; Y1966-K2018 HydrophobicContact CE2-CG 4.43Å; Y1966-K2018 HydrophobicContact CG-CG 3.69Å; I2014-K2018 PolarHBondContact O-N 2.86Å; F2015-K2018 PolarHBondContact O-N 2.8Å; K2018-A2020 VanDerWaalsContact C-N 3.34Å; K2018-A2020 PolarHBondContact O-N 3.48Å; K2018-R2021 PolarHBondContact O-N 3.42Å; K2018-Q2022 WeakPolarHBondContact O-CB 3.34Å; K2018-Q2022 PolarHBondContact O-N 2.84Å; K2018-D2390 WeakPolarHBondContact CD-OD1 3.16Å; K2018-D2390 WeakPolarHBondContact CE-OD1 3.42Å; K2018-D2390 IonicContact NZ-OD1 3.67Å; K2018-D2390 PolarHBondContact NZ-OD1 3.01Å; K2018-D2390 IonicContact NZ-OD2 3.03Å; K2018-D2390 PolarHBondContact NZ-OD2 3.36Å; K2018-L2393 HydrophobicContact CB-CD2 4.36Å; K2018-L2393 HydrophobicContact CG-CD2 4.08Å
2019C89.5Confident84.3Confident0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-63.9-36.2175.2-65.70000113.3M1971 F2015 I2017 F2023M1971-C2019 HydrophobicContact CB-CB 3.77Å; M1971-C2019 HydrophobicContact CG-CB 4.04Å; M1971-C2019 HydrophobicContact SD-CB 4.25Å; F2015-C2019 VanDerWaalsContact CE1-SG 3.57Å; F2015-C2019 WeakPolarHBondContact CZ-SG 3.32Å; F2015-C2019 PolarHBondContact O-N 3.18Å; F2015-C2019 PolarHBondContact O-SG 3.1Å; F2015-C2019 VanDerWaalsContact O-SG 3.34Å; I2017-C2019 VanDerWaalsContact C-N 3.31Å; I2017-C2019 PolarHBondContact O-N 3.2Å; C2019-F2023 WeakPolarHBondContact O-CB 3.43Å; C2019-F2023 PolarHBondContact O-N 2.89Å
2020A87.3Confident83.3Confident33 Ų3342.8 Ų42.827%0.27324%0.236SC..Hα-helixtrans-66-43.9175.600000111.9N2016 I2017 K2018 F2023 E2024N2016-A2020 WeakPolarHBondContact O-CB 3.46Å; N2016-A2020 PolarHBondContact O-N 3.03Å; N2016-A2020 VanDerWaalsContact O-N 3.08Å; I2017-A2020 WeakPolarHBondContact O-CA 3.31Å; I2017-A2020 WeakPolarHBondContact O-CB 3.5Å; I2017-A2020 PolarHBondContact O-N 3.34Å; K2018-A2020 VanDerWaalsContact C-N 3.34Å; K2018-A2020 PolarHBondContact O-N 3.48Å; A2020-F2023 WeakPolarHBondContact O-CB 3.41Å; A2020-F2023 PolarHBondContact O-N 2.92Å; A2020-E2024 WeakPolarHBondContact O-CG 3.5Å; A2020-E2024 PolarHBondContact O-N 3.14Å
2021R87.4Confident82.4Confident59 Ų5952.4 Ų52.422%0.22327%0.271CS..Hα-helixtrans-67.4-37.1175.9-59.8-53.4178.1-154.4-4.6112.3I2017 K2018 F2023 E2024 A2025 E2385 L2386I2017-R2021 HydrophobicContact CG2-CG 4.27Å; I2017-R2021 WeakPolarHBondContact O-CG 3.43Å; I2017-R2021 PolarHBondContact O-N 3.17Å; K2018-R2021 PolarHBondContact O-N 3.42Å; R2021-F2023 VanDerWaalsContact C-N 3.34Å; R2021-E2024 WeakPolarHBondContact CD-OE2 3.21Å; R2021-E2024 IonicContact CZ-OE2 2.71Å; R2021-E2024 IonicContact NE-OE2 2.95Å; R2021-E2024 IonicContact NH1-OE1 3.54Å; R2021-E2024 PolarHBondContact NH1-OE1 2.97Å; R2021-E2024 IonicContact NH1-OE2 4Å; R2021-E2024 PolarHBondContact NH1-OE2 3.41Å; R2021-E2024 PolarHBondContact O-N 3.12Å; R2021-A2025 PolarHBondContact O-N 2.67Å; R2021-E2385 IonicContact CZ-OE2 3.26Å; R2021-E2385 IonicContact NH2-OE2 3.5Å; R2021-E2385 PolarHBondContact NH2-OE2 2.91Å; R2021-L2386 PolarHBondContact NE-O 3.03Å; R2021-L2386 VanDerWaalsContact NE-O 3.11Å; R2021-L2386 PolarHBondContact NH2-O 3.35Å
2022Q82.9Confident81.5Confident88 Ų8855.5 Ų55.541%0.41131%0.308SS..Hα-helixtrans-66.8-35173.5-165.667.619.400112.2Y1966 K2018 A2025 A2026Y1966-Q2022 WeakPolarHBondContact O-CB 3.28Å; Y1966-Q2022 VanDerWaalsContact O-CG 3.28Å; Y1966-Q2022 WeakPolarHBondContact O-CG 3.27Å; K2018-Q2022 WeakPolarHBondContact O-CB 3.34Å; K2018-Q2022 PolarHBondContact O-N 2.84Å; Q2022-A2025 PolarHBondContact O-N 3.3Å; Q2022-A2026 WeakPolarHBondContact O-CB 3.44Å; Q2022-A2026 PolarHBondContact O-N 3.21Å
2023F83.2Confident80.5Confident75 Ų7559.4 Ų59.433%0.32933%0.328SS..Hα-helixtrans-65.4-42.8171.5170.4-96.2000112.1M1968 C2019 A2020 R2021 A2025 A2026 Y2027M1968-F2023 HydrophobicContact CB-CD2 4.12Å; M1968-F2023 HydrophobicContact CG-CD2 4.3Å; M1968-F2023 HydrophobicContact SD-CD2 4.05Å; M1968-F2023 HydrophobicContact SD-CE2 3.7Å; C2019-F2023 WeakPolarHBondContact O-CB 3.43Å; C2019-F2023 PolarHBondContact O-N 2.89Å; A2020-F2023 WeakPolarHBondContact O-CB 3.41Å; A2020-F2023 PolarHBondContact O-N 2.92Å; R2021-F2023 VanDerWaalsContact C-N 3.34Å; F2023-A2025 VanDerWaalsContact C-N 3.28Å; F2023-A2025 PolarHBondContact O-N 3.09Å; F2023-A2026 PolarHBondContact O-N 3.07Å; F2023-Y2027 AromaticContact CD2-CD2 3.42Å; F2023-Y2027 HydrophobicContact CD2-CD2 3.42Å; F2023-Y2027 VanDerWaalsContact CD2-CD2 3.42Å; F2023-Y2027 AromaticContact CD2-CE2 3.73Å; F2023-Y2027 HydrophobicContact CD2-CE2 3.73Å; F2023-Y2027 HydrophobicContact CD2-CG 4.47Å; F2023-Y2027 AromaticContact CE2-CD2 3.36Å; F2023-Y2027 HydrophobicContact CE2-CD2 3.36Å; F2023-Y2027 AromaticContact CE2-CE2 3.72Å; F2023-Y2027 HydrophobicContact CE2-CE2 3.72Å; F2023-Y2027 HydrophobicContact CE2-CG 4.08Å; F2023-Y2027 HydrophobicContact CG-CD2 4.28Å; F2023-Y2027 HydrophobicContact CZ-CD2 4.19Å; F2023-Y2027 PolarHBondContact O-N 2.98Å
2024E81.2Confident79.8Confident107 Ų10761 Ų6150%0.534%0.344SS..Hα-helixtrans-61.4-35174.3-72.2174.1163.400112.4A2020 R2021A2020-E2024 WeakPolarHBondContact O-CG 3.5Å; A2020-E2024 PolarHBondContact O-N 3.14Å; R2021-E2024 WeakPolarHBondContact CD-OE2 3.21Å; R2021-E2024 IonicContact CZ-OE2 2.71Å; R2021-E2024 IonicContact NE-OE2 2.95Å; R2021-E2024 IonicContact NH1-OE1 3.54Å; R2021-E2024 PolarHBondContact NH1-OE1 2.97Å; R2021-E2024 IonicContact NH1-OE2 4Å; R2021-E2024 PolarHBondContact NH1-OE2 3.41Å; R2021-E2024 PolarHBondContact O-N 3.12Å
2025A76.2Confident78.9Confident52 Ų5268.9 Ų68.943%0.4338%0.379SS..Hα-helixtrans-70.4-44.7173.700000112.8R2021 Q2022 F2023 Y2027R2021-A2025 PolarHBondContact O-N 2.67Å; Q2022-A2025 PolarHBondContact O-N 3.3Å; F2023-A2025 VanDerWaalsContact C-N 3.28Å; F2023-A2025 PolarHBondContact O-N 3.09Å; A2025-Y2027 VanDerWaalsContact C-N 3.34Å; A2025-Y2027 PolarHBondContact O-N 2.71Å
2026A71.4Confident78Confident41 Ų4169.8 Ų69.834%0.33939%0.388SS..Hα-helixtrans-72.2-22.9-178.100000114.3Q2022 F2023Q2022-A2026 WeakPolarHBondContact O-CB 3.44Å; Q2022-A2026 PolarHBondContact O-N 3.21Å; F2023-A2026 PolarHBondContact O-N 3.07Å
2027Y76.1Confident77.5Confident65 Ų6575.4 Ų75.426%0.25541%0.412SS..SBendtrans-126.867.1-179.9-62.3-82.6000111.3Y1441 F2023 A2025 A2029Y1441-Y2027 AromaticContact CD1-CD1 3.88Å; Y1441-Y2027 HydrophobicContact CD1-CD1 3.88Å; Y1441-Y2027 HydrophobicContact CD2-CD1 4.18Å; Y1441-Y2027 HydrophobicContact CE1-CD1 4.31Å; Y1441-Y2027 AromaticContact CG-CD1 3.79Å; Y1441-Y2027 HydrophobicContact CG-CD1 3.79Å; Y1441-Y2027 HydrophobicContact CG-CE1 4.43Å; Y1441-Y2027 PolarHBondContact OH-O 2.67Å; F2023-Y2027 AromaticContact CD2-CD2 3.42Å; F2023-Y2027 HydrophobicContact CD2-CD2 3.42Å; F2023-Y2027 VanDerWaalsContact CD2-CD2 3.42Å; F2023-Y2027 AromaticContact CD2-CE2 3.73Å; F2023-Y2027 HydrophobicContact CD2-CE2 3.73Å; F2023-Y2027 HydrophobicContact CD2-CG 4.47Å; F2023-Y2027 AromaticContact CE2-CD2 3.36Å; F2023-Y2027 HydrophobicContact CE2-CD2 3.36Å; F2023-Y2027 AromaticContact CE2-CE2 3.72Å; F2023-Y2027 HydrophobicContact CE2-CE2 3.72Å; F2023-Y2027 HydrophobicContact CE2-CG 4.08Å; F2023-Y2027 HydrophobicContact CG-CD2 4.28Å; F2023-Y2027 HydrophobicContact CZ-CD2 4.19Å; F2023-Y2027 PolarHBondContact O-N 2.98Å; A2025-Y2027 VanDerWaalsContact C-N 3.34Å; A2025-Y2027 PolarHBondContact O-N 2.71Å; Y2027-A2029 PolarHBondContact O-N 3.41Å
2028P72.9Confident76.7Confident31 Ų3178.4 Ų78.420%0.20143%0.427CS..  trans-61.3138-174.425.5-34.4000111.8L1471L1471-P2028 HydrophobicContact CD1-CB 4.11Å; L1471-P2028 HydrophobicContact CD1-CG 4.17Å
2029A70.8Confident76Confident82 Ų8280.5 Ų80.568%0.67844%0.443SS*.  trans-104.8128.9176.200000110.8Y2027 R2031Y2027-A2029 PolarHBondContact O-N 3.41Å; A2029-R2031 PolarHBondContact O-N 3.2Å
2030P68.5Low75.5Confident51 Ų5186.5 Ų86.533%0.33147%0.469SS..  trans-67.9132-178.926.3-33.8000111.9V1474 I2033V1474-P2030 HydrophobicContact CG1-CG 4.12Å; P2030-I2033 HydrophobicContact CB-CD1 3.8Å; P2030-I2033 HydrophobicContact CB-CG1 4.17Å; P2030-I2033 HydrophobicContact CG-CB 4.25Å; P2030-I2033 HydrophobicContact CG-CD1 3.7Å; P2030-I2033 HydrophobicContact CG-CG1 4.15Å
2031R71.9Confident75.2Confident256 Ų25693 Ų9397%0.96649%0.487SS*.THydrogen-bonded Turntrans-67.7133.3-179.4-174178.1179.3-175.7-0.7110.9A2029A2029-R2031 PolarHBondContact O-N 3.2Å
2032G70Confident74.6Confident82 Ų8296.5 Ų96.585%0.84551%0.508SS*.THydrogen-bonded Turntrans89.3-7.7173.900000115.8
2033I68.6Low74.4Confident84 Ų8499 Ų9943%0.43152%0.521SS..PPolyproline II helixtrans-87.4135.9179-57-166.7000110.4P2030 K2035P2030-I2033 HydrophobicContact CB-CD1 3.8Å; P2030-I2033 HydrophobicContact CB-CG1 4.17Å; P2030-I2033 HydrophobicContact CG-CB 4.25Å; P2030-I2033 HydrophobicContact CG-CD1 3.7Å; P2030-I2033 HydrophobicContact CG-CG1 4.15Å; I2033-K2035 PolarHBondContact O-N 3.25Å
2034P71.6Confident74.2Confident105 Ų10596.8 Ų96.868%0.68252%0.52SS*.PPolyproline II helixtrans-65.4133.4175.126.9-35000111.2G2036P2034-G2036 PolarHBondContact O-N 3.28Å
2035K72.3Confident74.3Confident167 Ų16797.7 Ų97.773%0.72652%0.522SS*.PPolyproline II helixtrans-52.1127.6173.1-72.3-165.1177.1-171.40110.7I2033 K2040I2033-K2035 PolarHBondContact O-N 3.25Å; K2035-K2040 VanDerWaalsContact O-CE 3.22Å; K2035-K2040 WeakPolarHBondContact O-CE 3.36Å; K2035-K2040 PolarHBondContact O-NZ 3.16Å
2036G69.5Low74.5Confident20 Ų2098.6 Ų98.621%0.20652%0.524CS..PPolyproline II helixtrans-51.6148.3-176.700000113.4P2034 L2038 V2039P2034-G2036 PolarHBondContact O-N 3.28Å; G2036-L2038 VanDerWaalsContact C-N 3.28Å; G2036-L2038 PolarHBondContact O-N 3.49Å; G2036-V2039 PolarHBondContact O-N 2.92Å
2037K78.3Confident74.9Confident143 Ų143101.8 Ų101.862%0.62253%0.534SS*.Hα-helixtrans-63.3-37.8-170.5-66.7170.3-173.7163.20111.5D1447 V2039 K2040 Y2041D1447-K2037 PolarHBondContact OD1-N 2.95Å; K2037-V2039 PolarHBondContact O-N 3.42Å; K2037-K2040 PolarHBondContact O-N 3.43Å; K2037-Y2041 HydrophobicContact CB-CE2 4.38Å; K2037-Y2041 WeakPolarHBondContact O-CD2 3.45Å; K2037-Y2041 PolarHBondContact O-N 2.96Å
2038L71.7Confident75.3Confident76 Ų76104 Ų10440%0.39855%0.549SS..Hα-helixtrans-61.9-43.6-178.4-171.4145.5000112.4L1448 G2036 K2040 Y2041 M2042L1448-L2038 HydrophobicContact CD1-CD1 4.12Å; G2036-L2038 VanDerWaalsContact C-N 3.28Å; G2036-L2038 PolarHBondContact O-N 3.49Å; L2038-K2040 VanDerWaalsContact C-N 3.3Å; L2038-K2040 PolarHBondContact O-N 3.06Å; L2038-Y2041 PolarHBondContact O-N 3.28Å; L2038-M2042 HydrophobicContact CD2-CG 3.83Å; L2038-M2042 HydrophobicContact CG-CG 4.29Å; L2038-M2042 WeakPolarHBondContact O-CB 3.49Å; L2038-M2042 WeakPolarHBondContact O-CG 3.4Å; L2038-M2042 PolarHBondContact O-N 2.99Å
2039V75.1Confident75.9Confident74 Ų74105.8 Ų105.845%0.44856%0.556SS.*Hα-helixtrans-62.3-38.4179.1-178.10000111.2G2036 K2037 M2043G2036-V2039 PolarHBondContact O-N 2.92Å; K2037-V2039 PolarHBondContact O-N 3.42Å; V2039-M2043 WeakPolarHBondContact O-CB 3.42Å; V2039-M2043 PolarHBondContact O-N 2.95Å; V2039-M2043 VanDerWaalsContact O-N 3.07Å
2040K79.2Confident76.2Confident126 Ų126103.9 Ų103.955%0.54855%0.545SS..Hα-helixtrans-64.5-44.7177.2-65.3179.5-179.9171.60112K2035 K2037 L2038 G2044K2035-K2040 VanDerWaalsContact O-CE 3.22Å; K2035-K2040 WeakPolarHBondContact O-CE 3.36Å; K2035-K2040 PolarHBondContact O-NZ 3.16Å; K2037-K2040 PolarHBondContact O-N 3.43Å; L2038-K2040 VanDerWaalsContact C-N 3.3Å; L2038-K2040 PolarHBondContact O-N 3.06Å; K2040-G2044 PolarHBondContact O-N 2.83Å
2041Y80.7Confident76.8Confident169 Ų169104.9 Ų104.966%0.66355%0.55SS*.Hα-helixtrans-68.5-45.5177.7-69.5-61000112.1K2037 L2038 M2043 G2044 F2045K2037-Y2041 HydrophobicContact CB-CE2 4.38Å; K2037-Y2041 WeakPolarHBondContact O-CD2 3.45Å; K2037-Y2041 PolarHBondContact O-N 2.96Å; L2038-Y2041 PolarHBondContact O-N 3.28Å; Y2041-M2043 VanDerWaalsContact C-N 3.3Å; Y2041-M2043 PolarHBondContact O-N 3.01Å; Y2041-G2044 PolarHBondContact O-N 2.99Å; Y2041-F2045 WeakPolarHBondContact O-CB 3.14Å; Y2041-F2045 PolarHBondContact O-N 2.73Å
2042M75.3Confident77.4Confident132 Ų13296.2 Ų96.265%0.6553%0.525SS*.Hα-helixtrans-64-31.1-179.4-71-61.2-67.200113.4L2038 P2046L2038-M2042 HydrophobicContact CD2-CG 3.83Å; L2038-M2042 HydrophobicContact CG-CG 4.29Å; L2038-M2042 WeakPolarHBondContact O-CB 3.49Å; L2038-M2042 WeakPolarHBondContact O-CG 3.4Å; L2038-M2042 PolarHBondContact O-N 2.99Å; M2042-P2046 VanDerWaalsContact O-CD 3.25Å; M2042-P2046 WeakPolarHBondContact O-CD 3.25Å; M2042-P2046 VanDerWaalsContact O-CG 3.29Å; M2042-P2046 WeakPolarHBondContact O-CG 3.3Å
2043M78.4Confident77.9Confident140 Ų14097.3 Ų97.369%0.6951%0.51SS*.Hα-helixtrans-85.3-44.6175.9-170.4178.8-179.500112.7V2039 Y2041 I2047V2039-M2043 WeakPolarHBondContact O-CB 3.42Å; V2039-M2043 PolarHBondContact O-N 2.95Å; V2039-M2043 VanDerWaalsContact O-N 3.07Å; Y2041-M2043 VanDerWaalsContact C-N 3.3Å; Y2041-M2043 PolarHBondContact O-N 3.01Å; M2043-I2047 VanDerWaalsContact O-CD1 3.31Å; M2043-I2047 WeakPolarHBondContact O-CD1 3.5Å; M2043-I2047 WeakPolarHBondContact O-CG1 3.4Å
2044G79.8Confident78.3Confident30 Ų3097.2 Ų97.231%0.30951%0.507SS..Hα-helixtrans-81.8-39.9-171.700000115K2040 Y2041 I2047 I2048K2040-G2044 PolarHBondContact O-N 2.83Å; Y2041-G2044 PolarHBondContact O-N 2.99Å; G2044-I2047 PolarHBondContact O-N 3.02Å; G2044-I2048 WeakPolarHBondContact O-CG1 3.23Å; G2044-I2048 PolarHBondContact O-N 3.02Å
2045F83.1Confident78.8Confident125 Ų12595.5 Ų95.555%0.54849%0.491SS..Hα-helixtrans-68.8-41.8-172.7-174.3-111.8000113.6Y2041 I2047 I2048 I2049Y2041-F2045 WeakPolarHBondContact O-CB 3.14Å; Y2041-F2045 PolarHBondContact O-N 2.73Å; F2045-I2047 VanDerWaalsContact C-N 3.33Å; F2045-I2047 PolarHBondContact O-N 2.67Å; F2045-I2048 PolarHBondContact O-N 3.37Å; F2045-I2049 HydrophobicContact CD1-CD1 3.87Å; F2045-I2049 HydrophobicContact CE1-CD1 3.33Å; F2045-I2049 HydrophobicContact CE1-CG1 4.37Å; F2045-I2049 HydrophobicContact CE2-CD1 4.14Å; F2045-I2049 HydrophobicContact CE2-CG1 4.49Å; F2045-I2049 HydrophobicContact CG-CD1 4.49Å; F2045-I2049 HydrophobicContact CZ-CD1 3.5Å; F2045-I2049 VanDerWaalsContact CZ-CD1 3.5Å; F2045-I2049 HydrophobicContact CZ-CG1 4.31Å; F2045-I2049 PolarHBondContact O-N 2.94Å
2046P79.3Confident79.3Confident72 Ų7293.5 Ų93.547%0.46848%0.483SS..Hα-helixtrans-64.4-35.4176.7-24.337000113.3M2042 I2049 G2050M2042-P2046 VanDerWaalsContact O-CD 3.25Å; M2042-P2046 WeakPolarHBondContact O-CD 3.25Å; M2042-P2046 VanDerWaalsContact O-CG 3.29Å; M2042-P2046 WeakPolarHBondContact O-CG 3.3Å; P2046-I2049 PolarHBondContact O-N 3.49Å; P2046-G2050 PolarHBondContact O-N 3.34Å
2047I80.1Confident79.5Confident108 Ų10895.6 Ų95.655%0.55450%0.495SS*.Hα-helixtrans-62.4-44.5176.3-64.1174.6000110.2M2043 G2044 F2045 G2050 V2051M2043-I2047 VanDerWaalsContact O-CD1 3.31Å; M2043-I2047 WeakPolarHBondContact O-CD1 3.5Å; M2043-I2047 WeakPolarHBondContact O-CG1 3.4Å; G2044-I2047 PolarHBondContact O-N 3.02Å; F2045-I2047 VanDerWaalsContact C-N 3.33Å; F2045-I2047 PolarHBondContact O-N 2.67Å; I2047-G2050 PolarHBondContact O-N 3.43Å; I2047-V2051 WeakPolarHBondContact O-CG2 3.45Å; I2047-V2051 PolarHBondContact O-N 3.3Å
2048I84.1Confident79.1Confident110 Ų11090.2 Ų90.256%0.56447%0.474SS*.Hα-helixtrans-63.9-46.8177.6-65.8167.1000110.9G2044 F2045 G2050 V2051 V2052G2044-I2048 WeakPolarHBondContact O-CG1 3.23Å; G2044-I2048 PolarHBondContact O-N 3.02Å; F2045-I2048 PolarHBondContact O-N 3.37Å; I2048-G2050 PolarHBondContact O-N 3.3Å; I2048-V2051 PolarHBondContact O-N 2.56Å; I2048-V2052 WeakPolarHBondContact O-CG2 3.47Å; I2048-V2052 PolarHBondContact O-N 3.1Å; I2048-V2052 VanDerWaalsContact O-N 3.13Å
2049I85.1Confident79.1Confident69 Ų6990.4 Ų90.435%0.35448%0.475SS..Hα-helixtrans-61.6-43.9178.1-75.6-177.5000111.7F2045 P2046 V2051 V2052 I2053F2045-I2049 HydrophobicContact CD1-CD1 3.87Å; F2045-I2049 HydrophobicContact CE1-CD1 3.33Å; F2045-I2049 HydrophobicContact CE1-CG1 4.37Å; F2045-I2049 HydrophobicContact CE2-CD1 4.14Å; F2045-I2049 HydrophobicContact CE2-CG1 4.49Å; F2045-I2049 HydrophobicContact CG-CD1 4.49Å; F2045-I2049 HydrophobicContact CZ-CD1 3.5Å; F2045-I2049 VanDerWaalsContact CZ-CD1 3.5Å; F2045-I2049 HydrophobicContact CZ-CG1 4.31Å; F2045-I2049 PolarHBondContact O-N 2.94Å; P2046-I2049 PolarHBondContact O-N 3.49Å; I2049-V2051 VanDerWaalsContact C-N 3.31Å; I2049-V2051 PolarHBondContact O-N 3.01Å; I2049-V2052 PolarHBondContact O-N 2.97Å; I2049-V2052 VanDerWaalsContact O-N 3.15Å; I2049-I2053 HydrophobicContact CG2-CD1 3.56Å; I2049-I2053 HydrophobicContact CG2-CG1 4.14Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.37Å; I2049-I2053 PolarHBondContact O-N 3.35Å
2050G77.7Confident79Confident42 Ų4291.9 Ų91.943%0.43348%0.48SS..Hα-helixtrans-57.7-43.3179.200000112.6P2046 I2047 I2048 F2054P2046-G2050 PolarHBondContact O-N 3.34Å; I2047-G2050 PolarHBondContact O-N 3.43Å; I2048-G2050 PolarHBondContact O-N 3.3Å; G2050-F2054 WeakPolarHBondContact O-CB 3.02Å; G2050-F2054 PolarHBondContact O-N 3Å; G2050-F2054 VanDerWaalsContact O-N 3.08Å
2051V81.2Confident78.4Confident72 Ų7290.5 Ų90.544%0.43648%0.478SS..Hα-helixtrans-64.4-42.6175.7173.40000111.8I2047 I2048 I2049 F2054 I2055I2047-V2051 WeakPolarHBondContact O-CG2 3.45Å; I2047-V2051 PolarHBondContact O-N 3.3Å; I2048-V2051 PolarHBondContact O-N 2.56Å; I2049-V2051 VanDerWaalsContact C-N 3.31Å; I2049-V2051 PolarHBondContact O-N 3.01Å; V2051-F2054 PolarHBondContact O-N 3.27Å; V2051-I2055 HydrophobicContact CG1-CD1 3.92Å; V2051-I2055 WeakPolarHBondContact O-CG1 3.41Å; V2051-I2055 PolarHBondContact O-N 3.41Å
2052V84.2Confident77.8Confident74 Ų7485.7 Ų85.745%0.44846%0.459SS..Hα-helixtrans-65.3-46.4179.1172.60000111.7I2048 I2049 F2054 I2055 F2056I2048-V2052 WeakPolarHBondContact O-CG2 3.47Å; I2048-V2052 PolarHBondContact O-N 3.1Å; I2048-V2052 VanDerWaalsContact O-N 3.13Å; I2049-V2052 PolarHBondContact O-N 2.97Å; I2049-V2052 VanDerWaalsContact O-N 3.15Å; V2052-F2054 VanDerWaalsContact C-N 3.32Å; V2052-F2054 PolarHBondContact O-N 3Å; V2052-I2055 PolarHBondContact O-N 3.32Å; V2052-F2056 HydrophobicContact CG1-CD2 3.93Å; V2052-F2056 HydrophobicContact CG1-CE2 4.27Å; V2052-F2056 WeakPolarHBondContact O-CD2 3.39Å; V2052-F2056 PolarHBondContact O-N 3.08Å
2053I80.8Confident77.5Confident105 Ų10583.1 Ų83.154%0.53845%0.454SS..Hα-helixtrans-60.5-43.7177.9-68.6174.5000110.3I2049 I2055 F2056 S2057I2049-I2053 HydrophobicContact CG2-CD1 3.56Å; I2049-I2053 HydrophobicContact CG2-CG1 4.14Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.37Å; I2049-I2053 PolarHBondContact O-N 3.35Å; I2053-I2055 VanDerWaalsContact C-N 3.33Å; I2053-I2055 PolarHBondContact O-N 3.48Å; I2053-F2056 PolarHBondContact O-N 2.89Å; I2053-S2057 WeakPolarHBondContact O-CB 3.1Å; I2053-S2057 PolarHBondContact O-N 3.46Å
2054F77.9Confident76.8Confident82 Ų8281.3 Ų81.336%0.3645%0.446SS..Hα-helixtrans-62.5-38.1-178.7-167.6-91000113.2G2050 V2051 V2052 P2058 V2361 V2365G2050-F2054 WeakPolarHBondContact O-CB 3.02Å; G2050-F2054 PolarHBondContact O-N 3Å; G2050-F2054 VanDerWaalsContact O-N 3.08Å; V2051-F2054 PolarHBondContact O-N 3.27Å; V2052-F2054 VanDerWaalsContact C-N 3.32Å; V2052-F2054 PolarHBondContact O-N 3Å; F2054-P2058 WeakPolarHBondContact O-CD 3.38Å; F2054-V2361 HydrophobicContact CE1-CG1 3.95Å; F2054-V2361 HydrophobicContact CZ-CG1 3.52Å; F2054-V2365 HydrophobicContact CD1-CB 4.35Å; F2054-V2365 HydrophobicContact CD1-CG1 4.01Å; F2054-V2365 HydrophobicContact CE1-CB 3.61Å; F2054-V2365 HydrophobicContact CE1-CG1 3.76Å; F2054-V2365 HydrophobicContact CE1-CG2 3.57Å; F2054-V2365 HydrophobicContact CE2-CG2 4.12Å; F2054-V2365 HydrophobicContact CZ-CB 3.93Å; F2054-V2365 HydrophobicContact CZ-CG1 4.19Å; F2054-V2365 HydrophobicContact CZ-CG2 3.31Å
2055I80.8Confident75.9Confident69 Ų6982.2 Ų82.235%0.35444%0.444SS..Hα-helixtrans-71-43178.9-67.7166.5000111.5V2051 V2052 I2053V2051-I2055 HydrophobicContact CG1-CD1 3.92Å; V2051-I2055 WeakPolarHBondContact O-CG1 3.41Å; V2051-I2055 PolarHBondContact O-N 3.41Å; V2052-I2055 PolarHBondContact O-N 3.32Å; I2053-I2055 VanDerWaalsContact C-N 3.33Å; I2053-I2055 PolarHBondContact O-N 3.48Å
2056F82.3Confident74.7Confident125 Ų12581.7 Ų81.755%0.54845%0.447SS..Hα-helixtrans-92.2-23-173-72.9-70.6000115.3V2052 I2053 L2059 L2060V2052-F2056 HydrophobicContact CG1-CD2 3.93Å; V2052-F2056 HydrophobicContact CG1-CE2 4.27Å; V2052-F2056 WeakPolarHBondContact O-CD2 3.39Å; V2052-F2056 PolarHBondContact O-N 3.08Å; I2053-F2056 PolarHBondContact O-N 2.89Å; F2056-L2059 HydrophobicContact CD1-CD1 4.35Å; F2056-L2059 PolarHBondContact O-N 3Å; F2056-L2060 PolarHBondContact O-N 2.96Å; F2056-L2060 VanDerWaalsContact O-N 3.08Å
2057S74.5Confident73.9Confident65 Ų6586.1 Ų86.146%0.45546%0.461SS..Hα-helixtrans-55.6-43.4-176.1171.60000114I2053 L2060 L2061I2053-S2057 WeakPolarHBondContact O-CB 3.1Å; I2053-S2057 PolarHBondContact O-N 3.46Å; S2057-L2060 PolarHBondContact O-N 2.93Å; S2057-L2061 WeakPolarHBondContact O-CB 3.24Å; S2057-L2061 PolarHBondContact O-N 2.71Å
2058P69.3Low73.1Confident29 Ų2985.3 Ų85.319%0.18846%0.457CS..Hα-helixtrans-63.5-43.5177.9-23.235.1000112.9F2054 L2060 L2061 W2062 Y2358F2054-P2058 WeakPolarHBondContact O-CD 3.38Å; P2058-L2060 VanDerWaalsContact C-N 3.32Å; P2058-L2060 PolarHBondContact O-N 3.31Å; P2058-L2061 PolarHBondContact O-N 2.97Å; P2058-W2062 HydrophobicContact CB-CH2 3.24Å; P2058-W2062 HydrophobicContact CB-CZ2 3.58Å; P2058-W2062 HydrophobicContact CB-CZ3 3.81Å; P2058-W2062 VanDerWaalsContact O-CE3 3.23Å; P2058-W2062 PolarHBondContact O-N 3.09Å; P2058-W2062 VanDerWaalsContact O-N 3.13Å; P2058-Y2358 HydrophobicContact CB-CD2 3.97Å; P2058-Y2358 HydrophobicContact CB-CE2 4.19Å; P2058-Y2358 HydrophobicContact CG-CD2 4.29Å; P2058-Y2358 HydrophobicContact CG-CE2 4.33Å
2059L72.3Confident72.2Confident81 Ų8181.4 Ų81.442%0.42444%0.444SS..Hα-helixtrans-60.1-40.8177.3-76.8163.5000112.5F2056 W2062 S2063 Y2358F2056-L2059 HydrophobicContact CD1-CD1 4.35Å; F2056-L2059 PolarHBondContact O-N 3Å; L2059-W2062 HydrophobicContact CD2-CE3 4.29Å; L2059-W2062 HydrophobicContact CD2-CZ3 4.19Å; L2059-W2062 HydrophobicContact CG-CZ3 4.28Å; L2059-S2063 PolarHBondContact O-N 2.89Å; L2059-Y2358 HydrophobicContact CG-CE2 4.49Å
2060L72.7Confident71.3Confident105 Ų10581.1 Ų81.155%0.5545%0.445SS..Hα-helixtrans-72.5-35.2179.9-150.6162.1000111.2F2056 S2057 P2058 S2063 L2064F2056-L2060 PolarHBondContact O-N 2.96Å; F2056-L2060 VanDerWaalsContact O-N 3.08Å; S2057-L2060 PolarHBondContact O-N 2.93Å; P2058-L2060 VanDerWaalsContact C-N 3.32Å; P2058-L2060 PolarHBondContact O-N 3.31Å; L2060-S2063 PolarHBondContact O-OG 3.3Å; L2060-S2063 VanDerWaalsContact O-OG 3.13Å; L2060-L2064 HydrophobicContact CD2-CD1 3.61Å; L2060-L2064 HydrophobicContact CD2-CG 4.28Å; L2060-L2064 WeakPolarHBondContact O-CG 3.29Å; L2060-L2064 PolarHBondContact O-N 3.42Å
2061L66.2Low70.9Confident97 Ų9781.7 Ų81.751%0.50844%0.438SS..Hα-helixtrans-63.6-42.3174.6-161.879.4000111.8S2057 P2058 L2064 L2065S2057-L2061 WeakPolarHBondContact O-CB 3.24Å; S2057-L2061 PolarHBondContact O-N 2.71Å; P2058-L2061 PolarHBondContact O-N 2.97Å; L2061-L2064 PolarHBondContact O-N 2.92Å; L2061-L2065 HydrophobicContact CD2-CD1 4.03Å; L2061-L2065 HydrophobicContact CG-CD1 3.79Å; L2061-L2065 HydrophobicContact CG-CG 4.36Å; L2061-L2065 WeakPolarHBondContact O-CB 3.31Å; L2061-L2065 VanDerWaalsContact O-CG 3.28Å; L2061-L2065 WeakPolarHBondContact O-CG 3.47Å; L2061-L2065 PolarHBondContact O-N 3.09Å; L2061-L2065 VanDerWaalsContact O-N 3.08Å
2062W68.6Low70.4Confident68 Ų6879 Ų7926%0.25842%0.422SS..Hα-helixtrans-70.7-33-178.5-59.4-42.3000114.3P2058 L2059 L2064 V2354 Y2358P2058-W2062 HydrophobicContact CB-CH2 3.24Å; P2058-W2062 HydrophobicContact CB-CZ2 3.58Å; P2058-W2062 HydrophobicContact CB-CZ3 3.81Å; P2058-W2062 VanDerWaalsContact O-CE3 3.23Å; P2058-W2062 PolarHBondContact O-N 3.09Å; P2058-W2062 VanDerWaalsContact O-N 3.13Å; L2059-W2062 HydrophobicContact CD2-CE3 4.29Å; L2059-W2062 HydrophobicContact CD2-CZ3 4.19Å; L2059-W2062 HydrophobicContact CG-CZ3 4.28Å; W2062-L2064 VanDerWaalsContact C-N 3.33Å; W2062-V2354 HydrophobicContact CD2-CG1 3.86Å; W2062-V2354 HydrophobicContact CE3-CG1 4.5Å; W2062-V2354 HydrophobicContact CG-CG1 4.31Å; W2062-V2354 HydrophobicContact CH2-CG1 4.32Å; W2062-V2354 HydrophobicContact CZ2-CG1 3.58Å; W2062-Y2358 AromaticContact CH2-CD2 3.47Å; W2062-Y2358 HydrophobicContact CH2-CD2 3.47Å; W2062-Y2358 VanDerWaalsContact CH2-CD2 3.47Å; W2062-Y2358 HydrophobicContact CH2-CE2 4.29Å; W2062-Y2358 AromaticContact CH2-CG 3.63Å; W2062-Y2358 HydrophobicContact CH2-CG 3.63Å; W2062-Y2358 AromaticContact CZ3-CD2 3.89Å; W2062-Y2358 HydrophobicContact CZ3-CD2 3.89Å; W2062-Y2358 HydrophobicContact CZ3-CE2 4.36Å; W2062-Y2358 AromaticContact CZ3-CG 3.98Å; W2062-Y2358 HydrophobicContact CZ3-CG 3.98Å
2063S68.2Low69.9Low78 Ų7879.9 Ų79.955%0.54542%0.422SS..Hα-helixtrans-69.8-31.6176.8630000112.6L2059 L2060L2059-S2063 PolarHBondContact O-N 2.89Å; L2060-S2063 PolarHBondContact O-OG 3.3Å; L2060-S2063 VanDerWaalsContact O-OG 3.13Å
2064L64.5Low69.7Low101 Ų10175.4 Ų75.453%0.52940%0.401SS..Hα-helixtrans-78.9-39.5177.6-67.9173.4000113L2060 L2061 W2062 N2066L2060-L2064 HydrophobicContact CD2-CD1 3.61Å; L2060-L2064 HydrophobicContact CD2-CG 4.28Å; L2060-L2064 WeakPolarHBondContact O-CG 3.29Å; L2060-L2064 PolarHBondContact O-N 3.42Å; L2061-L2064 PolarHBondContact O-N 2.92Å; W2062-L2064 VanDerWaalsContact C-N 3.33Å; L2064-N2066 VanDerWaalsContact C-N 3.3Å; L2064-N2066 PolarHBondContact O-N 3.41Å
2065L60.3Low69.7Low49 Ų4977.8 Ų77.826%0.25741%0.413SS..Hα-helixtrans-69.1-21.6-173.9-75.8173.8000114.7L2061 Q2067 I2068 L2346L2061-L2065 HydrophobicContact CD2-CD1 4.03Å; L2061-L2065 HydrophobicContact CG-CD1 3.79Å; L2061-L2065 HydrophobicContact CG-CG 4.36Å; L2061-L2065 WeakPolarHBondContact O-CB 3.31Å; L2061-L2065 VanDerWaalsContact O-CG 3.28Å; L2061-L2065 WeakPolarHBondContact O-CG 3.47Å; L2061-L2065 PolarHBondContact O-N 3.09Å; L2061-L2065 VanDerWaalsContact O-N 3.08Å; L2065-Q2067 PolarHBondContact O-N 3.08Å; L2065-Q2067 VanDerWaalsContact O-N 3.16Å; L2065-I2068 HydrophobicContact CD2-CD1 4.31Å; L2065-L2346 HydrophobicContact CD1-CD2 4.49Å; L2065-L2346 HydrophobicContact CD2-CD2 4.33Å
2066N58.5Low69.7Low114 Ų11477.7 Ų77.761%0.6141%0.41SS*.THydrogen-bonded Turntrans-71.4-2.5-178-79.7-1.6000114.9L2064L2064-N2066 VanDerWaalsContact C-N 3.3Å; L2064-N2066 PolarHBondContact O-N 3.41Å
2067Q62.2Low70Confident166 Ų16671.7 Ų71.778%0.77638%0.383SS*.THydrogen-bonded Turntrans-102.94.9-173.9-64.1-171.9-34.400114.8L2065L2065-Q2067 PolarHBondContact O-N 3.08Å; L2065-Q2067 VanDerWaalsContact O-N 3.16Å
2068I63.6Low70.8Confident91 Ų9169.1 Ų69.147%0.46737%0.365SS..  trans-115.1100.9-164.1-50.8171.3000111.3L2065L2065-I2068 HydrophobicContact CD2-CD1 4.31Å
2069G64.7Low71.9Confident28 Ų2867.7 Ų67.729%0.28936%0.356SS..  trans-149145.9174.300000112.7A2341G2069-A2341 CarbonylContact C-O 3.39Å; G2069-A2341 WeakPolarHBondContact CA-O 3.3Å
2070T67.7Low72.8Confident62 Ų6268.5 Ų68.538%0.3835%0.353SS..BIsolated β-bridgetrans-102.3149.8-169.338.30000112.7E2198 R2340 A2341T2070-E2198 PolarHBondContact OG1-OE1 2.97Å; T2070-R2340 CarbonylContact O-C 3.59Å; T2070-R2340 WeakPolarHBondContact O-CA 3.43Å; T2070-R2340 WeakPolarHBondContact O-CB 3.4Å; T2070-A2341 PolarHBondContact N-O 3.18Å; T2070-A2341 PolarHBondContact O-N 3.12Å; T2070-A2341 PolarHBondContact OG1-O 3.47Å
2071I69.1Low73.6Confident55 Ų5563.5 Ų63.528%0.28233%0.327SS..  trans-95.8123.1175.4-55.7176.5000108.7M2073 E2147 D2148 R2340I2071-M2073 HydrophobicContact CG2-CG 4.3Å; I2071-E2147 HydrophobicContact CD1-CB 3.84Å; I2071-D2148 WeakPolarHBondContact CD1-OD1 3.4Å; I2071-D2148 WeakPolarHBondContact CG1-OD1 3.48Å; I2071-R2340 HydrophobicContact CG1-CG 4.17Å
2072S70.2Confident74.6Confident14 Ų1459.7 Ų59.710%0.09831%0.308CS..  trans-112.395.7172.642.10000110.5R2192S2072-R2192 PolarHBondContact OG-NH1 3.14Å
2073M72.4Confident75.5Confident93 Ų9356.4 Ų56.446%0.45830%0.296SS..  trans-66.7141178.2-67-177.5175.600111.2I2071 M2106 P2193I2071-M2073 HydrophobicContact CG2-CG 4.3Å; M2073-M2106 HydrophobicContact CE-SD 3.89Å; M2073-P2193 WeakPolarHBondContact O-CD 3.33Å
2074P77.6Confident76.1Confident12 Ų1256.3 Ų56.38%0.07829%0.287CS..  trans-69.3136.9175.729.8-35.2000111.5V2077 L2104 L2150 F2190 T2191 I2338P2074-V2077 HydrophobicContact CB-CG2 4.32Å; P2074-V2077 HydrophobicContact CG-CG2 4.34Å; P2074-L2104 HydrophobicContact CG-CD2 4.37Å; P2074-L2150 HydrophobicContact CG-CD2 3.46Å; P2074-L2150 VanDerWaalsContact CG-CD2 3.46Å; P2074-F2190 HydrophobicContact CB-CD1 4.1Å; P2074-F2190 HydrophobicContact CG-CD1 4.03Å; P2074-T2191 CarbonylContact C-O 3.32Å; P2074-T2191 WeakPolarHBondContact CA-O 3.46Å; P2074-T2191 VanDerWaalsContact CB-O 3.23Å; P2074-T2191 WeakPolarHBondContact CB-O 3.37Å; P2074-I2338 HydrophobicContact CG-CD1 4.45Å
2075E77.2Confident76.9Confident131 Ų13155 Ų5561%0.61230%0.298SS*.SBendtrans-73.6-41.8-179.3-177.9-178.516600111.3T2191E2075-T2191 PolarHBondContact N-O 3.49Å
2076K82.4Confident78.1Confident67 Ų6754.7 Ų54.729%0.29129%0.293SS..EExtended strand (participates in β ladder)trans-150.3153.1174.558.4171.6177.3176.70111.9E2093 A2094 T2191K2076-E2093 HydrophobicContact CB-CG 4.16Å; K2076-E2093 HydrophobicContact CD-CG 3.97Å; K2076-E2093 WeakPolarHBondContact CD-OE1 3.29Å; K2076-E2093 WeakPolarHBondContact CD-OE2 3.3Å; K2076-E2093 VanDerWaalsContact NZ-CD 3.31Å; K2076-E2093 IonicContact NZ-OE1 3.35Å; K2076-E2093 PolarHBondContact NZ-OE1 3.39Å; K2076-E2093 VanDerWaalsContact NZ-OE1 3.1Å; K2076-E2093 IonicContact NZ-OE2 2.67Å; K2076-E2093 PolarHBondContact NZ-OE2 3.29Å; K2076-A2094 WeakPolarHBondContact CA-O 3.48Å; K2076-T2191 HydrophobicContact CG-CG2 4.19Å; K2076-T2191 WeakPolarHBondContact CG-OG1 3.27Å; K2076-T2191 PolarHBondContact N-OG1 3.12Å; K2076-T2191 PolarHBondContact O-N 2.77Å; K2076-T2191 PolarHBondContact O-OG1 3.25Å
2077V88.8Confident79.4Confident0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-126.1122.6175.3-169.70000108.3P2074 A2094 L2104 V2152 F2154 L2188 E2189 F2190P2074-V2077 HydrophobicContact CB-CG2 4.32Å; P2074-V2077 HydrophobicContact CG-CG2 4.34Å; V2077-A2094 PolarHBondContact N-O 3.04Å; V2077-A2094 PolarHBondContact O-N 3.4Å; V2077-L2104 HydrophobicContact CG2-CD2 3.96Å; V2077-V2152 HydrophobicContact CB-CG1 4.01Å; V2077-V2152 HydrophobicContact CG1-CG1 4.21Å; V2077-V2152 HydrophobicContact CG2-CG1 4.32Å; V2077-V2152 HydrophobicContact CG2-CG2 4.15Å; V2077-F2154 HydrophobicContact CB-CE1 4.44Å; V2077-F2154 HydrophobicContact CB-CZ 4.41Å; V2077-F2154 HydrophobicContact CG1-CE1 4.23Å; V2077-F2154 HydrophobicContact CG1-CZ 3.83Å; V2077-L2188 HydrophobicContact CG1-CD1 3.72Å; V2077-L2188 HydrophobicContact CG1-CG 4.41Å; V2077-E2189 WeakPolarHBondContact CA-O 3.39Å; V2077-F2190 HydrophobicContact CB-CD1 4.42Å; V2077-F2190 HydrophobicContact CG1-CD1 4.04Å; V2077-F2190 HydrophobicContact CG1-CD2 4.14Å; V2077-F2190 HydrophobicContact CG1-CE1 4.05Å; V2077-F2190 HydrophobicContact CG1-CE2 4.17Å; V2077-F2190 HydrophobicContact CG1-CG 4.09Å; V2077-F2190 HydrophobicContact CG1-CZ 4.12Å; V2077-F2190 HydrophobicContact CG2-CD1 3.46Å; V2077-F2190 VanDerWaalsContact CG2-CD1 3.46Å; V2077-F2190 HydrophobicContact CG2-CE1 3.69Å; V2077-F2190 HydrophobicContact CG2-CG 4.14Å
2078T90.6Very high80.6Confident10 Ų1044.9 Ų44.96%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-109.5128-179.2520000110.4E2093 E2189T2078-E2093 HydrophobicContact CG2-CB 4.05Å; T2078-E2093 HydrophobicContact CG2-CG 3.7Å; T2078-E2093 WeakPolarHBondContact CG2-OE2 3.33Å; T2078-E2189 PolarHBondContact N-O 3.37Å; T2078-E2189 PolarHBondContact O-N 3.25Å; T2078-E2189 WeakPolarHBondContact OG1-CB 3.32Å
2079L91.3Very high81.7Confident0 Ų040.6 Ų40.60%023%0.228CC..EExtended strand (participates in β ladder)trans-111.4128.7171.7177.662.9000109.5Y2090 M2092 F2154 V2186 L2188 I2240 L2332L2079-Y2090 HydrophobicContact CD2-CE1 4.13Å; L2079-Y2090 HydrophobicContact CG-CE1 4.35Å; L2079-M2092 PolarHBondContact N-O 3.37Å; L2079-M2092 PolarHBondContact O-N 2.94Å; L2079-M2092 VanDerWaalsContact O-N 3.11Å; L2079-F2154 HydrophobicContact CB-CD1 3.81Å; L2079-F2154 HydrophobicContact CB-CD2 4.34Å; L2079-F2154 HydrophobicContact CB-CE1 3.59Å; L2079-F2154 HydrophobicContact CB-CE2 4.15Å; L2079-F2154 HydrophobicContact CB-CG 4.19Å; L2079-F2154 HydrophobicContact CB-CZ 3.79Å; L2079-F2154 HydrophobicContact CD2-CD2 3.8Å; L2079-F2154 HydrophobicContact CD2-CE2 4.06Å; L2079-F2154 HydrophobicContact CD2-CG 4.07Å; L2079-V2186 HydrophobicContact CD1-CG1 3.87Å; L2079-L2188 HydrophobicContact CB-CD1 4.15Å; L2079-L2188 HydrophobicContact CD1-CB 4.48Å; L2079-L2188 HydrophobicContact CD1-CD1 4.2Å; L2079-I2240 HydrophobicContact CD1-CD1 3.88Å; L2079-I2240 HydrophobicContact CD2-CD1 3.7Å; L2079-I2240 HydrophobicContact CG-CD1 4.49Å; L2079-L2332 HydrophobicContact CD2-CD2 3.46Å; L2079-L2332 VanDerWaalsContact CD2-CD2 3.46Å; L2079-L2332 HydrophobicContact CD2-CG 4.15Å
2080R91.2Very high82.9Confident98 Ų9839.2 Ų39.237%0.3722%0.215SC..EExtended strand (participates in β ladder)trans-126.2136.2174.4-55.7174.1161.3138.81.5110.1Y2090 E2091 V2186 S2187R2080-Y2090 WeakPolarHBondContact CA-O 3.36Å; R2080-E2091 HydrophobicContact CG-CG 4.14Å; R2080-E2091 IonicContact CZ-OE1 3.82Å; R2080-E2091 IonicContact NE-OE1 3.97Å; R2080-E2091 PolarHBondContact NE-OE1 3.5Å; R2080-E2091 IonicContact NE-OE2 2.69Å; R2080-E2091 IonicContact NH2-OE1 3.8Å; R2080-E2091 PolarHBondContact NH2-OE1 3.3Å; R2080-V2186 WeakPolarHBondContact O-CA 3.35Å; R2080-S2187 WeakPolarHBondContact CB-OG 3.49Å; R2080-S2187 PolarHBondContact N-O 3.45Å; R2080-S2187 PolarHBondContact O-N 3.26Å
2081I90.1Very high84Confident0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-121.5115.3172.4-55.3162.8000107P2088 L2089 Y2090 E2185 V2186 I2236 L2288 L2290 A2305I2081-P2088 CarbonylContact O-C 3.6Å; I2081-L2089 PolarHBondContact O-N 3.13Å; I2081-Y2090 HydrophobicContact CD1-CD1 3.69Å; I2081-Y2090 HydrophobicContact CD1-CE1 4.39Å; I2081-Y2090 HydrophobicContact CD1-CG 4.18Å; I2081-Y2090 HydrophobicContact CG1-CD1 4.15Å; I2081-Y2090 PolarHBondContact N-O 3.36Å; I2081-Y2090 PolarHBondContact O-N 2.98Å; I2081-E2185 WeakPolarHBondContact CA-O 3.45Å; I2081-V2186 HydrophobicContact CG1-CG2 4.43Å; I2081-V2186 HydrophobicContact CG2-CG2 4.42Å; I2081-I2236 HydrophobicContact CG2-CD1 4.11Å; I2081-L2288 HydrophobicContact CD1-CD1 3.74Å; I2081-L2288 HydrophobicContact CD1-CD2 4.47Å; I2081-L2288 HydrophobicContact CG1-CD1 4.25Å; I2081-L2290 HydrophobicContact CD1-CD2 4.2Å; I2081-L2290 HydrophobicContact CG2-CD1 4.12Å; I2081-A2305 HydrophobicContact CD1-CB 4.32Å
2082S87.6Confident84.9Confident16 Ų1635.6 Ų35.611%0.11219%0.192CC..EExtended strand (participates in β ladder)trans-130.2165.1-178.777.80000112.2F2184 E2185S2082-F2184 WeakPolarHBondContact O-CA 3.31Å; S2082-E2185 PolarHBondContact N-O 3.08Å; S2082-E2185 PolarHBondContact O-N 2.92Å
2083I86.5Confident85.8Confident0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-100.1131165.2-67.3169.4000106.5G2085 Y2086 L2089 M2172 V2182 F2184I2083-G2085 PolarHBondContact O-N 3.45Å; I2083-Y2086 HydrophobicContact CB-CD2 4.32Å; I2083-Y2086 HydrophobicContact CG2-CD2 3.88Å; I2083-Y2086 HydrophobicContact CG2-CE2 4.45Å; I2083-Y2086 PolarHBondContact O-N 3.34Å; I2083-L2089 HydrophobicContact CD1-CD1 3.93Å; I2083-L2089 HydrophobicContact CD1-CD2 4.39Å; I2083-L2089 HydrophobicContact CG1-CD1 3.93Å; I2083-M2172 HydrophobicContact CB-CE 4.11Å; I2083-M2172 HydrophobicContact CD1-CE 3.88Å; I2083-M2172 HydrophobicContact CD1-CG 4.45Å; I2083-M2172 HydrophobicContact CD1-SD 3.62Å; I2083-M2172 HydrophobicContact CG2-CE 4.46Å; I2083-V2182 HydrophobicContact CG2-CG1 3.4Å; I2083-F2184 HydrophobicContact CD1-CE1 3.85Å; I2083-F2184 HydrophobicContact CD1-CZ 4.47Å; I2083-F2184 HydrophobicContact CG1-CD1 3.66Å; I2083-F2184 HydrophobicContact CG1-CE1 3.42Å; I2083-F2184 VanDerWaalsContact CG1-CE1 3.42Å; I2083-F2184 HydrophobicContact CG1-CZ 4.35Å
2084E82.5Confident86.4Confident76 Ų7632.5 Ų32.536%0.35518%0.175SC..THydrogen-bonded Turntrans-49.4112.2-173.5-173.5-174.7173.400113.3K2175 V2182 N2183E2084-K2175 PolarHBondContact O-NZ 3.19Å; E2084-V2182 HydrophobicContact CB-CG1 4.46Å; E2084-N2183 HydrophobicContact CB-CB 4.41Å; E2084-N2183 WeakPolarHBondContact CB-O 3.35Å; E2084-N2183 PolarHBondContact N-O 3.39Å; E2084-N2183 WeakPolarHBondContact OE2-CB 3.36Å; E2084-N2183 PolarHBondContact OE2-N 3Å; E2084-N2183 VanDerWaalsContact OE2-N 3.17Å; E2084-N2183 PolarHBondContact OE2-ND2 2.91Å
2085G80.6Confident86.2Confident74 Ų7436.6 Ų36.676%0.76319%0.193SC*.THydrogen-bonded Turntrans91.411.4-178.600000116I2083I2083-G2085 PolarHBondContact O-N 3.45Å
2086Y86.1Confident85.4Confident41 Ų4131.6 Ų31.616%0.16118%0.177CC..SBendtrans-129.3161.3178.4-65.8-78.3000112.5I2083 S2168 A2171 M2172 K2175I2083-Y2086 HydrophobicContact CB-CD2 4.32Å; I2083-Y2086 HydrophobicContact CG2-CD2 3.88Å; I2083-Y2086 HydrophobicContact CG2-CE2 4.45Å; I2083-Y2086 PolarHBondContact O-N 3.34Å; Y2086-S2168 WeakPolarHBondContact CE1-O 3.29Å; Y2086-A2171 VanDerWaalsContact OH-C 3.26Å; Y2086-A2171 PolarHBondContact OH-O 3.49Å; Y2086-M2172 HydrophobicContact CD1-CB 4.25Å; Y2086-M2172 HydrophobicContact CD1-CE 3.81Å; Y2086-M2172 HydrophobicContact CD2-CB 4.43Å; Y2086-M2172 HydrophobicContact CD2-CE 3.59Å; Y2086-M2172 HydrophobicContact CD2-CG 4.25Å; Y2086-M2172 HydrophobicContact CE1-CB 3.84Å; Y2086-M2172 HydrophobicContact CE2-CB 4.01Å; Y2086-M2172 HydrophobicContact CE2-CE 4.32Å; Y2086-M2172 HydrophobicContact CE2-CG 4.07Å; Y2086-M2172 HydrophobicContact CG-CE 3.29Å; Y2086-M2172 WeakPolarHBondContact OH-CA 3.25Å; Y2086-M2172 PolarHBondContact OH-N 3.19Å; Y2086-K2175 HydrophobicContact CE2-CD 3.93Å
2087P85.5Confident84.1Confident40 Ų4034.1 Ų34.126%0.2620%0.203SC..  trans-55.7147.2174.7-24.234.2000112.4L2089 P2163P2087-L2089 PolarHBondContact O-N 3.36Å; P2087-P2163 HydrophobicContact CB-CG 4Å
2088P86.2Confident82.3Confident34 Ų3439.5 Ų39.522%0.22123%0.232CC..  trans-57.2136.2-178.924.4-33.2000110.9I2081 E2091 W2162I2081-P2088 CarbonylContact O-C 3.6Å; P2088-E2091 HydrophobicContact CB-CB 4.43Å; P2088-E2091 HydrophobicContact CG-CB 4.37Å; P2088-E2091 WeakPolarHBondContact CG-OE2 3.17Å; P2088-W2162 VanDerWaalsContact O-CD1 3.25Å
2089L86.6Confident80.5Confident1 Ų148.1 Ų48.11%0.00527%0.271CS..SBendtrans-70.6-44172.6-61172.4000109.1I2081 I2083 P2087 W2162 F2184 L2290 W2303I2081-L2089 PolarHBondContact O-N 3.13Å; I2083-L2089 HydrophobicContact CD1-CD1 3.93Å; I2083-L2089 HydrophobicContact CD1-CD2 4.39Å; I2083-L2089 HydrophobicContact CG1-CD1 3.93Å; P2087-L2089 PolarHBondContact O-N 3.36Å; L2089-W2162 HydrophobicContact CD2-CD2 4.42Å; L2089-W2162 HydrophobicContact CD2-CZ2 3.67Å; L2089-F2184 HydrophobicContact CD1-CE1 3.95Å; L2089-L2290 HydrophobicContact CD1-CD1 3.81Å; L2089-W2303 HydrophobicContact CB-CD2 4.4Å; L2089-W2303 HydrophobicContact CB-CG 4.14Å; L2089-W2303 HydrophobicContact CD2-CZ2 3.89Å; L2089-W2303 WeakPolarHBondContact O-CB 3.41Å
2090Y90.2Very high78.6Confident0 Ų054.8 Ų54.80%031%0.307CS..EExtended strand (participates in β ladder)trans-133.1129.2179.8169.9-84.5000109.2L2079 R2080 I2081 M2092 F2154 R2155 A2305 L2332L2079-Y2090 HydrophobicContact CD2-CE1 4.13Å; L2079-Y2090 HydrophobicContact CG-CE1 4.35Å; R2080-Y2090 WeakPolarHBondContact CA-O 3.36Å; I2081-Y2090 HydrophobicContact CD1-CD1 3.69Å; I2081-Y2090 HydrophobicContact CD1-CE1 4.39Å; I2081-Y2090 HydrophobicContact CD1-CG 4.18Å; I2081-Y2090 HydrophobicContact CG1-CD1 4.15Å; I2081-Y2090 PolarHBondContact N-O 3.36Å; I2081-Y2090 PolarHBondContact O-N 2.98Å; Y2090-M2092 HydrophobicContact CE1-CB 3.75Å; Y2090-M2092 HydrophobicContact CE2-CB 4.44Å; Y2090-M2092 WeakPolarHBondContact OH-CB 3.3Å; Y2090-F2154 WeakPolarHBondContact OH-CB 3.23Å; Y2090-R2155 WeakPolarHBondContact CE2-O 3.17Å; Y2090-R2155 PolarHBondContact OH-O 2.9Å; Y2090-A2305 HydrophobicContact CD1-CB 4.34Å; Y2090-A2305 HydrophobicContact CD2-CB 3.61Å; Y2090-A2305 HydrophobicContact CE1-CB 4.4Å; Y2090-A2305 HydrophobicContact CE2-CB 3.69Å; Y2090-A2305 HydrophobicContact CG-CB 3.95Å; Y2090-L2332 HydrophobicContact CE1-CD2 4.24Å
2091E90.4Very high77Confident37 Ų3754 Ų5417%0.17331%0.31CS..EExtended strand (participates in β ladder)trans-134.4133173.3179.8158.1-159.800108.6R2080 P2088 S2158 E2159 I2160R2080-E2091 HydrophobicContact CG-CG 4.14Å; R2080-E2091 IonicContact CZ-OE1 3.82Å; R2080-E2091 IonicContact NE-OE1 3.97Å; R2080-E2091 PolarHBondContact NE-OE1 3.5Å; R2080-E2091 IonicContact NE-OE2 2.69Å; R2080-E2091 IonicContact NH2-OE1 3.8Å; R2080-E2091 PolarHBondContact NH2-OE1 3.3Å; P2088-E2091 HydrophobicContact CB-CB 4.43Å; P2088-E2091 HydrophobicContact CG-CB 4.37Å; P2088-E2091 WeakPolarHBondContact CG-OE2 3.17Å; E2091-S2158 PolarHBondContact N-OG 3.12Å; E2091-S2158 PolarHBondContact O-OG 3.24Å; E2091-E2159 WeakPolarHBondContact O-CB 3.47Å; E2091-E2159 PolarHBondContact O-N 3.07Å; E2091-I2160 HydrophobicContact CB-CD1 4.43Å; E2091-I2160 HydrophobicContact CG-CD1 4.17Å
2092M89.6Confident75.7Confident4 Ų456.8 Ų56.82%0.0233%0.333CS..EExtended strand (participates in β ladder)trans-148.9126-178.3-178.757.247.400110.3L2079 Y2090 F2154 R2155 E2157 E2159L2079-M2092 PolarHBondContact N-O 3.37Å; L2079-M2092 PolarHBondContact O-N 2.94Å; L2079-M2092 VanDerWaalsContact O-N 3.11Å; Y2090-M2092 HydrophobicContact CE1-CB 3.75Å; Y2090-M2092 HydrophobicContact CE2-CB 4.44Å; Y2090-M2092 WeakPolarHBondContact OH-CB 3.3Å; M2092-F2154 HydrophobicContact CB-CB 4.38Å; M2092-F2154 HydrophobicContact CB-CD1 4.31Å; M2092-F2154 HydrophobicContact CG-CB 3.8Å; M2092-F2154 HydrophobicContact CG-CD1 3.96Å; M2092-F2154 HydrophobicContact CG-CG 4.39Å; M2092-R2155 HydrophobicContact CE-CB 3.7Å; M2092-R2155 HydrophobicContact CE-CG 4.36Å; M2092-R2155 HydrophobicContact SD-CB 3.81Å; M2092-R2155 HydrophobicContact SD-CG 3.92Å; M2092-E2157 WeakPolarHBondContact CE-O 3.31Å; M2092-E2159 HydrophobicContact CE-CB 3.7Å; M2092-E2159 HydrophobicContact SD-CB 4.4Å
2093E87.7Confident75Confident41 Ų4156.9 Ų56.919%0.19233%0.332CS..EExtended strand (participates in β ladder)trans-101.5115.8170.4-169.4167.7125.400109.9K2076 T2078 Q2095 E2159K2076-E2093 HydrophobicContact CB-CG 4.16Å; K2076-E2093 HydrophobicContact CD-CG 3.97Å; K2076-E2093 WeakPolarHBondContact CD-OE1 3.29Å; K2076-E2093 WeakPolarHBondContact CD-OE2 3.3Å; K2076-E2093 VanDerWaalsContact NZ-CD 3.31Å; K2076-E2093 IonicContact NZ-OE1 3.35Å; K2076-E2093 PolarHBondContact NZ-OE1 3.39Å; K2076-E2093 VanDerWaalsContact NZ-OE1 3.1Å; K2076-E2093 IonicContact NZ-OE2 2.67Å; K2076-E2093 PolarHBondContact NZ-OE2 3.29Å; T2078-E2093 HydrophobicContact CG2-CB 4.05Å; T2078-E2093 HydrophobicContact CG2-CG 3.7Å; T2078-E2093 WeakPolarHBondContact CG2-OE2 3.33Å; E2093-Q2095 HydrophobicContact CG-CG 3.93Å; E2093-Q2095 PolarHBondContact OE1-NE2 3.25Å; E2093-E2159 PolarHBondContact N-OE2 2.96Å
2094A84.8Confident74.6Confident0 Ų058.1 Ų58.10%034%0.338CS..EExtended strand (participates in β ladder)trans-81.1124.6168.700000108.8K2076 V2077 E2103 L2104 V2152 F2154K2076-A2094 WeakPolarHBondContact CA-O 3.48Å; V2077-A2094 PolarHBondContact N-O 3.04Å; V2077-A2094 PolarHBondContact O-N 3.4Å; A2094-E2103 HydrophobicContact CB-CB 4.34Å; A2094-L2104 HydrophobicContact CB-CD1 4.13Å; A2094-V2152 HydrophobicContact CB-CG1 3.88Å; A2094-F2154 HydrophobicContact CB-CD1 4.14Å; A2094-F2154 HydrophobicContact CB-CE1 4.09Å
2095Q75.5Confident74.2Confident98 Ų9855.3 Ų55.346%0.45833%0.33SS..EExtended strand (participates in β ladder)trans-126.9139.3-178.8-63.6-175.7-8.500112.1E2093 E2103E2093-Q2095 HydrophobicContact CG-CG 3.93Å; E2093-Q2095 PolarHBondContact OE1-NE2 3.25Å; Q2095-E2103 PolarHBondContact N-OE2 3.17Å; Q2095-E2103 VanDerWaalsContact N-OE2 3.14Å
2096G60.1Low74.3Confident27 Ų2756.6 Ų56.628%0.27832%0.317SS..  trans-17475.3-172.900000115.4L2104G2096-L2104 VanDerWaalsContact N-CD1 3.32Å
2097S53.7Low74.2Confident120 Ų12054.8 Ų54.884%0.83931%0.31SS*.SBendtrans-86.6-12.1166.3-176.50000113.4
2098N52.2Low74.1Confident113 Ų11359.3 Ų59.360%0.60433%0.326SS*.SBendtrans-119.4142.7-173.7-72.4-15.8000111D2100 N2101N2098-D2100 PolarHBondContact O-N 3.02Å; N2098-N2101 PolarHBondContact O-N 3.3Å; N2098-N2101 VanDerWaalsContact O-N 3.11Å
2099H52.1Low74.1Confident190 Ų19061.6 Ų61.688%0.8834%0.341SS*.THydrogen-bonded Turntrans-54.5-22.1-177.1179.7-87000114.7
2100D51.9Low73.9Confident141 Ų14167.6 Ų67.675%0.75437%0.373SS*.THydrogen-bonded Turntrans-87.3-15.4-175.6-53.7-32.9000113.5N2098 A2102N2098-D2100 PolarHBondContact O-N 3.02Å; D2100-A2102 PolarHBondContact O-N 2.84Å
2101N56.3Low73.5Confident80 Ų8070 Ų7043%0.42838%0.384SS..  trans-88.899.9-179.7-72.210.7000110.6N2098 E2103N2098-N2101 PolarHBondContact O-N 3.3Å; N2098-N2101 VanDerWaalsContact O-N 3.11Å; N2101-E2103 PolarHBondContact O-N 2.76Å
2102A62.7Low73.3Confident60 Ų6069.8 Ų69.850%0.49638%0.384SS..THydrogen-bonded Turntrans-68.99.6-174.200000116.4D2100 R2153D2100-A2102 PolarHBondContact O-N 2.84Å; A2102-R2153 PolarHBondContact O-NH1 3.48Å
2103E73Confident73Confident18 Ų1872.3 Ų72.38%0.08441%0.405CS..THydrogen-bonded Turntrans-83.2-37.5-172.8-64.1-177.5176.800113.5A2094 Q2095 N2101 R2153 R2155A2094-E2103 HydrophobicContact CB-CB 4.34Å; Q2095-E2103 PolarHBondContact N-OE2 3.17Å; Q2095-E2103 VanDerWaalsContact N-OE2 3.14Å; N2101-E2103 PolarHBondContact O-N 2.76Å; E2103-R2153 PolarHBondContact O-N 2.94Å; E2103-R2155 IonicContact OE1-CZ 3.57Å; E2103-R2155 IonicContact OE1-NE 2.87Å; E2103-R2155 PolarHBondContact OE1-NE 3Å; E2103-R2155 IonicContact OE1-NH2 3.68Å; E2103-R2155 PolarHBondContact OE1-NH2 3.44Å
2104L77.9Confident72.8Confident25 Ų2573.1 Ų73.113%0.13142%0.416CS..EExtended strand (participates in β ladder)trans-114.8107166.4-62.596.7000108.4P2074 V2077 A2094 G2096 L2150P2074-L2104 HydrophobicContact CG-CD2 4.37Å; V2077-L2104 HydrophobicContact CG2-CD2 3.96Å; A2094-L2104 HydrophobicContact CB-CD1 4.13Å; G2096-L2104 VanDerWaalsContact N-CD1 3.32Å; L2104-L2150 HydrophobicContact CB-CD1 4.37Å; L2104-L2150 HydrophobicContact CD2-CD2 3.99Å
2105G75.4Confident72.7Confident17 Ų1773.2 Ų73.218%0.17542%0.416CS..EExtended strand (participates in β ladder)trans-122.8135.6179.600000112I2151G2105-I2151 PolarHBondContact N-O 2.96Å; G2105-I2151 WeakPolarHBondContact O-CA 3.4Å; G2105-I2151 WeakPolarHBondContact O-CB 3.39Å; G2105-I2151 PolarHBondContact O-N 3.01Å
2106M81.5Confident73.2Confident101 Ų10170.9 Ų70.950%0.49841%0.407SS..EExtended strand (participates in β ladder)trans-63.5150.2170.5-67.4173.2-81.200111M2073 K2108M2073-M2106 HydrophobicContact CE-SD 3.89Å; M2106-K2108 PolarHBondContact O-N 3.01Å
2107I84.4Confident74.4Confident3 Ų374.6 Ų74.62%0.01542%0.417CS..PPolyproline II helixtrans-65.2133.5174.9-164.8165.7000110.5Q2111 L2112 I2149 I2151 I2319I2107-Q2111 HydrophobicContact CD1-CB 4.27Å; I2107-Q2111 HydrophobicContact CG1-CB 3.76Å; I2107-L2112 HydrophobicContact CD1-CB 4.11Å; I2107-L2112 HydrophobicContact CD1-CD1 4.41Å; I2107-L2112 HydrophobicContact CG1-CB 4.32Å; I2107-L2112 HydrophobicContact CG2-CB 4.24Å; I2107-I2149 HydrophobicContact CB-CB 4.31Å; I2107-I2149 HydrophobicContact CB-CG2 3.94Å; I2107-I2149 HydrophobicContact CD1-CG2 4.12Å; I2107-I2149 HydrophobicContact CG2-CB 3.63Å; I2107-I2149 HydrophobicContact CG2-CD1 4.39Å; I2107-I2149 HydrophobicContact CG2-CG2 3.75Å; I2107-I2149 PolarHBondContact N-O 3.11Å; I2107-I2151 HydrophobicContact CB-CD1 4.31Å; I2107-I2151 HydrophobicContact CB-CG1 4.43Å; I2107-I2151 HydrophobicContact CG1-CD1 4.23Å; I2107-I2319 HydrophobicContact CD1-CD1 3.83Å
2108K83.5Confident75.6Confident135 Ų13569.5 Ų69.559%0.58738%0.382SS*.PPolyproline II helixtrans-70.6146.4173.8-66.4-173.9176.4-174.20110.2M2106 D2110 Q2111 L2112M2106-K2108 PolarHBondContact O-N 3.01Å; K2108-D2110 PolarHBondContact O-N 3.21Å; K2108-Q2111 HydrophobicContact CB-CB 4.38Å; K2108-Q2111 HydrophobicContact CB-CG 4.13Å; K2108-Q2111 WeakPolarHBondContact O-CA 3.43Å; K2108-Q2111 WeakPolarHBondContact O-CB 3.44Å; K2108-Q2111 PolarHBondContact O-N 2.82Å; K2108-L2112 PolarHBondContact O-N 3.13Å
2109P86.2Confident77Confident83 Ų8364.1 Ų64.154%0.53935%0.353SS..Hα-helixtrans-56.5-36.8178.821.8-33.2000112.5Q2111 L2112 A2113P2109-Q2111 PolarHBondContact O-N 3.25Å; P2109-L2112 PolarHBondContact O-N 2.92Å; P2109-A2113 WeakPolarHBondContact O-CB 3.47Å; P2109-A2113 PolarHBondContact O-N 3.48Å
2110D82.5Confident78.4Confident127 Ų12757.7 Ų57.768%0.67933%0.328SS*.Hα-helixtrans-64.8-37.9175.8-48.9-35.9000112.4K2108 A2113 S2114K2108-D2110 PolarHBondContact O-N 3.21Å; D2110-A2113 PolarHBondContact O-N 3.36Å; D2110-S2114 WeakPolarHBondContact O-CB 3.28Å; D2110-S2114 PolarHBondContact O-N 3.44Å; D2110-S2114 PolarHBondContact O-OG 3.19Å
2111Q83.1Confident79.7Confident51 Ų5155.9 Ų55.924%0.23832%0.318CS..Hα-helixtrans-69.2-44.1176.9-69176.6-47.100110.5I2107 K2108 P2109 A2113 S2114 L2115I2107-Q2111 HydrophobicContact CD1-CB 4.27Å; I2107-Q2111 HydrophobicContact CG1-CB 3.76Å; K2108-Q2111 HydrophobicContact CB-CB 4.38Å; K2108-Q2111 HydrophobicContact CB-CG 4.13Å; K2108-Q2111 WeakPolarHBondContact O-CA 3.43Å; K2108-Q2111 WeakPolarHBondContact O-CB 3.44Å; K2108-Q2111 PolarHBondContact O-N 2.82Å; P2109-Q2111 PolarHBondContact O-N 3.25Å; Q2111-A2113 VanDerWaalsContact C-N 3.33Å; Q2111-A2113 PolarHBondContact O-N 3.49Å; Q2111-S2114 WeakPolarHBondContact CA-OG 3.32Å; Q2111-S2114 PolarHBondContact O-N 3.21Å; Q2111-S2114 PolarHBondContact O-OG 2.75Å; Q2111-L2115 PolarHBondContact O-N 3.46Å
2112L85.4Confident80.3Confident32 Ų3253 Ų5317%0.16830%0.304CS..Hα-helixtrans-61.8-40.3174.2-178.159.3000111.9I2107 K2108 P2109 L2115 N2116 L2141 I2149I2107-L2112 HydrophobicContact CD1-CB 4.11Å; I2107-L2112 HydrophobicContact CD1-CD1 4.41Å; I2107-L2112 HydrophobicContact CG1-CB 4.32Å; I2107-L2112 HydrophobicContact CG2-CB 4.24Å; K2108-L2112 PolarHBondContact O-N 3.13Å; P2109-L2112 PolarHBondContact O-N 2.92Å; L2112-L2115 PolarHBondContact O-N 3.45Å; L2112-N2116 VanDerWaalsContact O-CB 3.24Å; L2112-N2116 WeakPolarHBondContact O-CB 3.46Å; L2112-N2116 PolarHBondContact O-N 3.12Å; L2112-L2141 HydrophobicContact CD1-CD1 3.7Å; L2112-L2141 HydrophobicContact CD1-CD2 4.06Å; L2112-L2141 HydrophobicContact CD1-CG 3.94Å; L2112-I2149 HydrophobicContact CD1-CD1 3.66Å; L2112-I2149 HydrophobicContact CD2-CD1 4.38Å
2113A83.6Confident81Confident57 Ų5753.9 Ų53.947%0.47130%0.295SS..Hα-helixtrans-62.3-43.3173.500000111.6P2109 D2110 Q2111 N2116 Q2117P2109-A2113 WeakPolarHBondContact O-CB 3.47Å; P2109-A2113 PolarHBondContact O-N 3.48Å; D2110-A2113 PolarHBondContact O-N 3.36Å; Q2111-A2113 VanDerWaalsContact C-N 3.33Å; Q2111-A2113 PolarHBondContact O-N 3.49Å; A2113-N2116 PolarHBondContact O-N 3.4Å; A2113-Q2117 WeakPolarHBondContact O-CB 3.24Å; A2113-Q2117 PolarHBondContact O-N 3.47Å
2114S82Confident81Confident58 Ų5855 Ų5541%0.40630%0.303SS..Hα-helixtrans-66-39.3177.474.60000113.2D2110 Q2111 Q2117 A2118D2110-S2114 WeakPolarHBondContact O-CB 3.28Å; D2110-S2114 PolarHBondContact O-N 3.44Å; D2110-S2114 PolarHBondContact O-OG 3.19Å; Q2111-S2114 WeakPolarHBondContact CA-OG 3.32Å; Q2111-S2114 PolarHBondContact O-N 3.21Å; Q2111-S2114 PolarHBondContact O-OG 2.75Å; S2114-Q2117 PolarHBondContact O-N 3.31Å; S2114-A2118 WeakPolarHBondContact O-CB 3.43Å; S2114-A2118 PolarHBondContact O-N 3.49Å
2115L84.2Confident80.6Confident2 Ų256.9 Ų56.91%0.0132%0.315CS..Hα-helixtrans-66.5-43.8174.6179.162.8000111.7Q2111 L2112 Q2117 A2118 L2119 L2141 F2243Q2111-L2115 PolarHBondContact O-N 3.46Å; L2112-L2115 PolarHBondContact O-N 3.45Å; L2115-Q2117 VanDerWaalsContact C-N 3.33Å; L2115-Q2117 PolarHBondContact O-N 2.93Å; L2115-A2118 PolarHBondContact O-N 3.04Å; L2115-L2119 HydrophobicContact CD1-CD1 4.24Å; L2115-L2119 HydrophobicContact CD1-CG 4.47Å; L2115-L2119 HydrophobicContact CG-CD1 4.25Å; L2115-L2119 WeakPolarHBondContact O-CG 3.38Å; L2115-L2119 PolarHBondContact O-N 2.88Å; L2115-L2141 HydrophobicContact CD2-CD1 4.1Å; L2115-L2141 HydrophobicContact CG-CD2 4.39Å; L2115-F2243 HydrophobicContact CD1-CE1 4.38Å; L2115-F2243 HydrophobicContact CD1-CZ 4.07Å; L2115-F2243 HydrophobicContact CD2-CE1 4.25Å
2116N86.3Confident80.4Confident49 Ų4966.7 Ų66.726%0.26235%0.347SS..Hα-helixtrans-62-41.3175.5-172.724.7000111.4L2112 A2113 T2120 L2141L2112-N2116 VanDerWaalsContact O-CB 3.24Å; L2112-N2116 WeakPolarHBondContact O-CB 3.46Å; L2112-N2116 PolarHBondContact O-N 3.12Å; A2113-N2116 PolarHBondContact O-N 3.4Å; N2116-T2120 VanDerWaalsContact O-CB 3.26Å; N2116-T2120 WeakPolarHBondContact O-CB 3.48Å; N2116-T2120 PolarHBondContact O-N 3.29Å; N2116-T2120 PolarHBondContact O-OG1 3.41Å; N2116-L2141 HydrophobicContact CB-CD2 3.58Å
2117Q84Confident79.9Confident104 Ų10464.1 Ų64.149%0.48634%0.335SS..Hα-helixtrans-63.7-48173.4-177.7173.43.600111.3A2113 S2114 L2115 L2119 T2120 D2121A2113-Q2117 WeakPolarHBondContact O-CB 3.24Å; A2113-Q2117 PolarHBondContact O-N 3.47Å; S2114-Q2117 PolarHBondContact O-N 3.31Å; L2115-Q2117 VanDerWaalsContact C-N 3.33Å; L2115-Q2117 PolarHBondContact O-N 2.93Å; Q2117-L2119 PolarHBondContact O-N 3.16Å; Q2117-T2120 CarbonylContact O-C 3.42Å; Q2117-T2120 WeakPolarHBondContact O-CA 3.45Å; Q2117-T2120 WeakPolarHBondContact O-CB 3.22Å; Q2117-T2120 PolarHBondContact O-N 3.39Å; Q2117-T2120 VanDerWaalsContact O-N 3.09Å; Q2117-D2121 WeakPolarHBondContact CG-OD2 3.29Å; Q2117-D2121 WeakPolarHBondContact O-CB 3.39Å; Q2117-D2121 VanDerWaalsContact O-CG 3.29Å; Q2117-D2121 PolarHBondContact O-N 2.84Å
2118A79.3Confident79.6Confident13 Ų1368.8 Ų68.811%0.10736%0.364CS..Hα-helixtrans-59.4-42.8178.700000112.7S2114 L2115 D2121 S2122 K2316 L2317S2114-A2118 WeakPolarHBondContact O-CB 3.43Å; S2114-A2118 PolarHBondContact O-N 3.49Å; L2115-A2118 PolarHBondContact O-N 3.04Å; A2118-D2121 PolarHBondContact O-N 3.45Å; A2118-S2122 WeakPolarHBondContact O-CB 3.48Å; A2118-S2122 PolarHBondContact O-N 2.97Å; A2118-K2316 HydrophobicContact CB-CB 4.25Å; A2118-K2316 WeakPolarHBondContact CB-O 3.34Å; A2118-L2317 HydrophobicContact CB-CD1 4.27Å
2119L81.8Confident79.3Confident0 Ų066.7 Ų66.70%036%0.359CS..Hα-helixtrans-69-32.8174.5-71.1170.2000112.6L2115 Q2117 S2122 S2134 V2138 L2141 I2258 T2261 L2317L2115-L2119 HydrophobicContact CD1-CD1 4.24Å; L2115-L2119 HydrophobicContact CD1-CG 4.47Å; L2115-L2119 HydrophobicContact CG-CD1 4.25Å; L2115-L2119 WeakPolarHBondContact O-CG 3.38Å; L2115-L2119 PolarHBondContact O-N 2.88Å; Q2117-L2119 PolarHBondContact O-N 3.16Å; L2119-S2122 PolarHBondContact O-OG 3.02Å; L2119-S2134 PolarHBondContact O-OG 2.88Å; L2119-V2138 HydrophobicContact CB-CG2 4.22Å; L2119-L2141 HydrophobicContact CD1-CD2 4.29Å; L2119-I2258 HydrophobicContact CD1-CG1 4.43Å; L2119-I2258 HydrophobicContact CD2-CG2 4.42Å; L2119-T2261 HydrophobicContact CD2-CG2 4.14Å; L2119-L2317 HydrophobicContact CD2-CD1 3.76Å; L2119-L2317 HydrophobicContact CG-CD1 4.18Å
2120T82.1Confident78.9Confident56 Ų5662.8 Ų62.834%0.34433%0.334SS..Hα-helixtrans-69.7-35173.2-59.50000112.1N2116 Q2117 Y2123 V2138N2116-T2120 VanDerWaalsContact O-CB 3.26Å; N2116-T2120 WeakPolarHBondContact O-CB 3.48Å; N2116-T2120 PolarHBondContact O-N 3.29Å; N2116-T2120 PolarHBondContact O-OG1 3.41Å; Q2117-T2120 CarbonylContact O-C 3.42Å; Q2117-T2120 WeakPolarHBondContact O-CA 3.45Å; Q2117-T2120 WeakPolarHBondContact O-CB 3.22Å; Q2117-T2120 PolarHBondContact O-N 3.39Å; Q2117-T2120 VanDerWaalsContact O-N 3.09Å; T2120-Y2123 WeakPolarHBondContact O-CD1 3.41Å; T2120-Y2123 WeakPolarHBondContact O-CE1 3.49Å; T2120-V2138 WeakPolarHBondContact OG1-CG2 3.45Å
2121D77.9Confident78.8Confident102 Ų10259 Ų5955%0.54531%0.313SS..Hα-helixtrans-83.6-17.2-179.3-68.3-17000112.6Q2117 A2118 Y2123Q2117-D2121 WeakPolarHBondContact CG-OD2 3.29Å; Q2117-D2121 WeakPolarHBondContact O-CB 3.39Å; Q2117-D2121 VanDerWaalsContact O-CG 3.29Å; Q2117-D2121 PolarHBondContact O-N 2.84Å; A2118-D2121 PolarHBondContact O-N 3.45Å; D2121-Y2123 VanDerWaalsContact C-N 3.33Å; D2121-Y2123 PolarHBondContact O-N 3.29Å
2122S70.3Confident78.8Confident19 Ų1961.2 Ų61.213%0.13333%0.326CS..  trans-71.6-10.1-173.165.70000116.5A2118 L2119 T2261 D2265A2118-S2122 WeakPolarHBondContact O-CB 3.48Å; A2118-S2122 PolarHBondContact O-N 2.97Å; L2119-S2122 PolarHBondContact O-OG 3.02Å; S2122-T2261 WeakPolarHBondContact OG-CG2 3.5Å; S2122-D2265 WeakPolarHBondContact O-CB 3.42Å; S2122-D2265 VanDerWaalsContact O-O 3.1Å
2123Y76.7Confident78.7Confident80 Ų8061.7 Ų61.731%0.31433%0.326SS..  trans-76.9139.2-17670.9-86.8000113.6T2120 D2121 T2125 S2130 I2131T2120-Y2123 WeakPolarHBondContact O-CD1 3.41Å; T2120-Y2123 WeakPolarHBondContact O-CE1 3.49Å; D2121-Y2123 VanDerWaalsContact C-N 3.33Å; D2121-Y2123 PolarHBondContact O-N 3.29Å; Y2123-T2125 HydrophobicContact CD2-CG2 4.36Å; Y2123-T2125 HydrophobicContact CE2-CG2 3.7Å; Y2123-T2125 PolarHBondContact O-N 3.22Å; Y2123-S2130 WeakPolarHBondContact CA-OG 3.22Å; Y2123-I2131 HydrophobicContact CD2-CD1 4.38Å; Y2123-I2131 HydrophobicContact CD2-CG1 3.53Å; Y2123-I2131 HydrophobicContact CE2-CG1 4.14Å; Y2123-I2131 HydrophobicContact CG-CG1 4.17Å
2124T72.9Confident78.7Confident41 Ų4159.2 Ų59.225%0.25231%0.305SS..  trans-75.1109.5168.1-60.80000109.5R2126 D2127 S2130 R2269T2124-R2126 HydrophobicContact CG2-CB 4.43Å; T2124-R2126 PolarHBondContact O-N 3.07Å; T2124-D2127 HydrophobicContact CG2-CB 4.37Å; T2124-D2127 PolarHBondContact O-N 3.42Å; T2124-S2130 WeakPolarHBondContact CB-OG 3.47Å; T2124-S2130 PolarHBondContact N-OG 2.7Å; T2124-R2269 PolarHBondContact OG1-NH2 3.24Å
2125T68.5Low78.8Confident64 Ų6464.9 Ų64.939%0.39332%0.317SS..THydrogen-bonded Turntrans-52.1-18.5-179.1460000116.3G115 Y2123G115-T2125 WeakPolarHBondContact O-CG2 3.49Å; Y2123-T2125 HydrophobicContact CD2-CG2 4.36Å; Y2123-T2125 HydrophobicContact CE2-CG2 3.7Å; Y2123-T2125 PolarHBondContact O-N 3.22Å
2126R71.1Confident78.8Confident224 Ų22469.4 Ų69.485%0.84534%0.34SS*.THydrogen-bonded Turntrans-93.1-18.6177.2-81.7-175.5171.6167.7-1.5115.5T2124T2124-R2126 HydrophobicContact CG2-CB 4.43Å; T2124-R2126 PolarHBondContact O-N 3.07Å
2127D72.2Confident78.7Confident46 Ų4667 Ų6725%0.24633%0.327CS..  trans-106.2114.5-175178.413.4000109.8T2124 N2129 S2130 I2131 R2133T2124-D2127 HydrophobicContact CG2-CB 4.37Å; T2124-D2127 PolarHBondContact O-N 3.42Å; D2127-N2129 PolarHBondContact O-N 3.1Å; D2127-N2129 VanDerWaalsContact OD1-CB 3.28Å; D2127-N2129 WeakPolarHBondContact OD1-CB 3.18Å; D2127-N2129 PolarHBondContact OD1-N 3.42Å; D2127-N2129 PolarHBondContact OD1-ND2 3.24Å; D2127-S2130 VanDerWaalsContact O-CB 3.23Å; D2127-S2130 WeakPolarHBondContact O-CB 3.26Å; D2127-S2130 PolarHBondContact O-N 3.16Å; D2127-S2130 VanDerWaalsContact O-N 3.08Å; D2127-S2130 PolarHBondContact OD2-N 3.1Å; D2127-I2131 PolarHBondContact O-N 2.88Å; D2127-I2131 VanDerWaalsContact O-N 3.07Å; D2127-R2133 IonicContact OD2-CZ 3.98Å; D2127-R2133 IonicContact OD2-NH2 3.51Å; D2127-R2133 PolarHBondContact OD2-NH2 2.87Å
2128T78.1Confident78.8Confident101 Ų10163 Ų6362%0.6231%0.31SS*.Hα-helixtrans-62.9-31177.147.30000111.8S2130 L2132T2128-S2130 VanDerWaalsContact C-N 3.33Å; T2128-L2132 WeakPolarHBondContact O-CB 3.12Å; T2128-L2132 WeakPolarHBondContact O-CG 3.47Å; T2128-L2132 PolarHBondContact O-N 2.91Å
2129N76.8Confident79.1Confident92 Ų9266.4 Ų66.449%0.49233%0.333SS..Hα-helixtrans-69.4-35.4174.6-52.6-64.2000110.7D2127 L2132 R2133D2127-N2129 PolarHBondContact O-N 3.1Å; D2127-N2129 VanDerWaalsContact OD1-CB 3.28Å; D2127-N2129 WeakPolarHBondContact OD1-CB 3.18Å; D2127-N2129 PolarHBondContact OD1-N 3.42Å; D2127-N2129 PolarHBondContact OD1-ND2 3.24Å; N2129-L2132 CarbonylContact O-C 3.53Å; N2129-L2132 WeakPolarHBondContact O-CB 3.32Å; N2129-L2132 PolarHBondContact O-N 3.25Å; N2129-R2133 WeakPolarHBondContact O-CB 3.41Å; N2129-R2133 VanDerWaalsContact O-CG 3.3Å; N2129-R2133 WeakPolarHBondContact O-CG 3.23Å; N2129-R2133 PolarHBondContact O-N 3.31Å
2130S78.3Confident79.4Confident0 Ų068.6 Ų68.60%034%0.341CS..Hα-helixtrans-64.8-44.9174.4-1690000112.6Y2123 T2124 D2127 T2128 L2132 R2133 S2134 D2265Y2123-S2130 WeakPolarHBondContact CA-OG 3.22Å; T2124-S2130 WeakPolarHBondContact CB-OG 3.47Å; T2124-S2130 PolarHBondContact N-OG 2.7Å; D2127-S2130 VanDerWaalsContact O-CB 3.23Å; D2127-S2130 WeakPolarHBondContact O-CB 3.26Å; D2127-S2130 PolarHBondContact O-N 3.16Å; D2127-S2130 VanDerWaalsContact O-N 3.08Å; D2127-S2130 PolarHBondContact OD2-N 3.1Å; T2128-S2130 VanDerWaalsContact C-N 3.33Å; S2130-L2132 VanDerWaalsContact C-N 3.3Å; S2130-L2132 PolarHBondContact O-N 3.03Å; S2130-R2133 PolarHBondContact O-N 3.45Å; S2130-S2134 PolarHBondContact O-N 3.36Å; S2130-D2265 WeakPolarHBondContact CA-OD1 3.49Å; S2130-D2265 WeakPolarHBondContact CB-OD1 3.27Å; S2130-D2265 PolarHBondContact OG-OD1 2.92Å
2131I81Confident79.6Confident48 Ų4866.2 Ų66.225%0.24633%0.326CS..Hα-helixtrans-61.8-40.3173-64.5167000110.7Y2123 D2127 R2135Y2123-I2131 HydrophobicContact CD2-CD1 4.38Å; Y2123-I2131 HydrophobicContact CD2-CG1 3.53Å; Y2123-I2131 HydrophobicContact CE2-CG1 4.14Å; Y2123-I2131 HydrophobicContact CG-CG1 4.17Å; D2127-I2131 PolarHBondContact O-N 2.88Å; D2127-I2131 VanDerWaalsContact O-N 3.07Å; I2131-R2135 HydrophobicContact CG2-CG 4.48Å; I2131-R2135 VanDerWaalsContact O-CB 3.27Å; I2131-R2135 WeakPolarHBondContact O-CB 3.32Å; I2131-R2135 WeakPolarHBondContact O-CG 3.35Å; I2131-R2135 PolarHBondContact O-N 3.39Å
2132L82.2Confident80Confident97 Ų9768.9 Ų68.951%0.50833%0.333SS..Hα-helixtrans-64.6-45.7174.1-83.3161.8000112T2128 N2129 S2130 R2135 M2136T2128-L2132 WeakPolarHBondContact O-CB 3.12Å; T2128-L2132 WeakPolarHBondContact O-CG 3.47Å; T2128-L2132 PolarHBondContact O-N 2.91Å; N2129-L2132 CarbonylContact O-C 3.53Å; N2129-L2132 WeakPolarHBondContact O-CB 3.32Å; N2129-L2132 PolarHBondContact O-N 3.25Å; S2130-L2132 VanDerWaalsContact C-N 3.3Å; S2130-L2132 PolarHBondContact O-N 3.03Å; L2132-R2135 PolarHBondContact O-N 2.81Å; L2132-M2136 WeakPolarHBondContact O-CB 3.42Å; L2132-M2136 VanDerWaalsContact O-CG 3.26Å; L2132-M2136 WeakPolarHBondContact O-CG 3.09Å; L2132-M2136 PolarHBondContact O-N 2.95Å
2133R83.4Confident80.5Confident43 Ų4370.9 Ų70.916%0.16236%0.357CS..Hα-helixtrans-58.5-54.3176.7-77.8-174.1-62.5-118.5-6.3111.1D2127 N2129 S2130 R2135 M2136 S2137 N2260 T2261 D2265D2127-R2133 IonicContact OD2-CZ 3.98Å; D2127-R2133 IonicContact OD2-NH2 3.51Å; D2127-R2133 PolarHBondContact OD2-NH2 2.87Å; N2129-R2133 WeakPolarHBondContact O-CB 3.41Å; N2129-R2133 VanDerWaalsContact O-CG 3.3Å; N2129-R2133 WeakPolarHBondContact O-CG 3.23Å; N2129-R2133 PolarHBondContact O-N 3.31Å; S2130-R2133 PolarHBondContact O-N 3.45Å; R2133-R2135 PolarHBondContact O-N 2.89Å; R2133-M2136 HydrophobicContact CG-CE 4.21Å; R2133-M2136 WeakPolarHBondContact O-CB 3.47Å; R2133-M2136 PolarHBondContact O-N 3.49Å; R2133-M2136 VanDerWaalsContact O-N 3.14Å; R2133-S2137 PolarHBondContact O-N 3.42Å; R2133-S2137 PolarHBondContact O-OG 3.31Å; R2133-S2137 VanDerWaalsContact O-OG 3.11Å; R2133-N2260 HydrophobicContact CG-CB 4.45Å; R2133-T2261 PolarHBondContact O-OG1 3.14Å; R2133-D2265 VanDerWaalsContact CB-OD2 3.28Å; R2133-D2265 WeakPolarHBondContact CB-OD2 3.41Å; R2133-D2265 WeakPolarHBondContact CD-OD2 3.44Å; R2133-D2265 IonicContact CZ-OD1 3.93Å; R2133-D2265 IonicContact CZ-OD2 2.78Å; R2133-D2265 IonicContact NE-OD1 2.67Å; R2133-D2265 PolarHBondContact NE-OD1 3.23Å; R2133-D2265 IonicContact NE-OD2 3.64Å; R2133-D2265 PolarHBondContact NE-OD2 3.23Å; R2133-D2265 IonicContact NH2-OD1 3.93Å; R2133-D2265 PolarHBondContact NH2-OD1 3.35Å; R2133-D2265 IonicContact NH2-OD2 2.71Å
2134S82.5Confident80.8Confident5 Ų568.7 Ų68.74%0.03535%0.348CS..Hα-helixtrans-57.6-44175.4167.90000112.4L2119 S2130 M2136 S2137 V2138L2119-S2134 PolarHBondContact O-OG 2.88Å; S2130-S2134 PolarHBondContact O-N 3.36Å; S2134-M2136 PolarHBondContact O-N 3.06Å; S2134-S2137 PolarHBondContact O-N 3.01Å; S2134-V2138 WeakPolarHBondContact O-CG2 3.38Å; S2134-V2138 PolarHBondContact O-N 3.3Å
2135R84.9Confident81.2Confident176 Ų17669.3 Ų69.366%0.66435%0.352SS*.Hα-helixtrans-63.7-38.2175.3-77176.4177.9-173.6-0.1113.1I2131 L2132 R2133 S2139I2131-R2135 HydrophobicContact CG2-CG 4.48Å; I2131-R2135 VanDerWaalsContact O-CB 3.27Å; I2131-R2135 WeakPolarHBondContact O-CB 3.32Å; I2131-R2135 WeakPolarHBondContact O-CG 3.35Å; I2131-R2135 PolarHBondContact O-N 3.39Å; L2132-R2135 PolarHBondContact O-N 2.81Å; R2133-R2135 PolarHBondContact O-N 2.89Å; R2135-S2139 WeakPolarHBondContact O-CB 3.35Å; R2135-S2139 PolarHBondContact O-N 2.84Å
2136M84.5Confident82Confident97 Ų9771.6 Ų71.648%0.47835%0.354SS..Hα-helixtrans-65-40.9173.6-73.8-174.7-58.400110.8L2132 R2133 S2134 S2139 Y2140L2132-M2136 WeakPolarHBondContact O-CB 3.42Å; L2132-M2136 VanDerWaalsContact O-CG 3.26Å; L2132-M2136 WeakPolarHBondContact O-CG 3.09Å; L2132-M2136 PolarHBondContact O-N 2.95Å; R2133-M2136 HydrophobicContact CG-CE 4.21Å; R2133-M2136 WeakPolarHBondContact O-CB 3.47Å; R2133-M2136 PolarHBondContact O-N 3.49Å; R2133-M2136 VanDerWaalsContact O-N 3.14Å; S2134-M2136 PolarHBondContact O-N 3.06Å; M2136-S2139 PolarHBondContact O-N 3.41Å; M2136-Y2140 WeakPolarHBondContact O-CB 3.26Å; M2136-Y2140 PolarHBondContact O-N 2.8Å
2137S84.4Confident82.5Confident0 Ų064.5 Ų64.50%033%0.33CS..Hα-helixtrans-66.9-43.8177.1-61.70000112.8R2133 S2134 Y2140 L2141 S2257 I2258 T2261R2133-S2137 PolarHBondContact O-N 3.42Å; R2133-S2137 PolarHBondContact O-OG 3.31Å; R2133-S2137 VanDerWaalsContact O-OG 3.11Å; S2134-S2137 PolarHBondContact O-N 3.01Å; S2137-Y2140 PolarHBondContact O-N 2.76Å; S2137-L2141 WeakPolarHBondContact O-CB 3.45Å; S2137-L2141 PolarHBondContact O-N 2.83Å; S2137-S2257 PolarHBondContact OG-O 3.17Å; S2137-I2258 PolarHBondContact OG-N 3.41Å; S2137-T2261 PolarHBondContact OG-OG1 3.18Å
2138V86.7Confident83Confident20 Ų2062.5 Ų62.512%0.12132%0.32CS..Hα-helixtrans-67.6-36.4173.4171.40000111.6L2119 T2120 S2134 K2142L2119-V2138 HydrophobicContact CB-CG2 4.22Å; T2120-V2138 WeakPolarHBondContact OG1-CG2 3.45Å; S2134-V2138 WeakPolarHBondContact O-CG2 3.38Å; S2134-V2138 PolarHBondContact O-N 3.3Å; V2138-K2142 HydrophobicContact CG1-CD 4.34Å; V2138-K2142 WeakPolarHBondContact O-CB 3.35Å; V2138-K2142 VanDerWaalsContact O-CG 3.29Å; V2138-K2142 WeakPolarHBondContact O-CG 3.36Å; V2138-K2142 PolarHBondContact O-N 3.16Å
2139S85.3Confident83.5Confident84 Ų8457.7 Ų57.759%0.58729%0.29SS*.Hα-helixtrans-70.8-34.2175.4-1700000112.4R2135 M2136 G2143R2135-S2139 WeakPolarHBondContact O-CB 3.35Å; R2135-S2139 PolarHBondContact O-N 2.84Å; M2136-S2139 PolarHBondContact O-N 3.41Å; S2139-G2143 PolarHBondContact O-N 2.91Å
2140Y87.6Confident83.9Confident46 Ų4653.9 Ų53.918%0.1827%0.27CS..Hα-helixtrans-67.4-48.4173.6-177.4-86.6000110.1M2136 S2137 K2142 G2143 Y2144 Q2245 P2255 I2258 F2337M2136-Y2140 WeakPolarHBondContact O-CB 3.26Å; M2136-Y2140 PolarHBondContact O-N 2.8Å; S2137-Y2140 PolarHBondContact O-N 2.76Å; Y2140-K2142 VanDerWaalsContact C-N 3.28Å; Y2140-K2142 PolarHBondContact O-N 2.91Å; Y2140-G2143 PolarHBondContact O-N 3.28Å; Y2140-Y2144 HydrophobicContact CD1-CE2 4.26Å; Y2140-Y2144 HydrophobicContact CE1-CD2 4.36Å; Y2140-Y2144 AromaticContact CE1-CE2 3.77Å; Y2140-Y2144 HydrophobicContact CE1-CE2 3.77Å; Y2140-Y2144 HydrophobicContact CE2-CE2 4.32Å; Y2140-Y2144 AromaticContact CZ-CE2 3.8Å; Y2140-Y2144 WeakPolarHBondContact O-CD2 3.35Å; Y2140-Q2245 WeakPolarHBondContact OH-CB 3.28Å; Y2140-Q2245 VanDerWaalsContact OH-CD 3.32Å; Y2140-Q2245 PolarHBondContact OH-OE1 2.99Å; Y2140-P2255 HydrophobicContact CE1-CB 3.74Å; Y2140-I2258 HydrophobicContact CD1-CD1 3.93Å; Y2140-I2258 HydrophobicContact CD1-CG1 4.3Å; Y2140-I2258 HydrophobicContact CE1-CD1 4.14Å; Y2140-F2337 HydrophobicContact CE1-CD1 4.43Å; Y2140-F2337 HydrophobicContact CE1-CD2 4.41Å; Y2140-F2337 HydrophobicContact CE1-CG 4.32Å
2141L86.6Confident84.4Confident6 Ų653.9 Ų53.93%0.03127%0.27CS..Hα-helixtrans-60.1-36.8176.8-167.867.9000112.4L2112 L2115 N2116 L2119 S2137 G2143 Y2144 I2149 F2337L2112-L2141 HydrophobicContact CD1-CD1 3.7Å; L2112-L2141 HydrophobicContact CD1-CD2 4.06Å; L2112-L2141 HydrophobicContact CD1-CG 3.94Å; L2115-L2141 HydrophobicContact CD2-CD1 4.1Å; L2115-L2141 HydrophobicContact CG-CD2 4.39Å; N2116-L2141 HydrophobicContact CB-CD2 3.58Å; L2119-L2141 HydrophobicContact CD1-CD2 4.29Å; S2137-L2141 WeakPolarHBondContact O-CB 3.45Å; S2137-L2141 PolarHBondContact O-N 2.83Å; L2141-G2143 PolarHBondContact O-N 3.46Å; L2141-Y2144 PolarHBondContact O-N 2.95Å; L2141-I2149 HydrophobicContact CD1-CD1 4.19Å; L2141-F2337 HydrophobicContact CD1-CE1 3.82Å; L2141-F2337 HydrophobicContact CD1-CZ 4.31Å
2142K85.3Confident84.8Confident158 Ų15851.6 Ų51.669%0.68726%0.258SS*.THydrogen-bonded Turntrans-69.2-9.7173.6-78.3178.5178.5-177.20114.9V2138 Y2140 Y2144V2138-K2142 HydrophobicContact CG1-CD 4.34Å; V2138-K2142 WeakPolarHBondContact O-CB 3.35Å; V2138-K2142 VanDerWaalsContact O-CG 3.29Å; V2138-K2142 WeakPolarHBondContact O-CG 3.36Å; V2138-K2142 PolarHBondContact O-N 3.16Å; Y2140-K2142 VanDerWaalsContact C-N 3.28Å; Y2140-K2142 PolarHBondContact O-N 2.91Å; K2142-Y2144 VanDerWaalsContact C-N 3.33Å
2143G81.6Confident85Confident61 Ų6148.9 Ų48.963%0.62924%0.241SC*.THydrogen-bonded Turntrans-77.4-17.217400000114S2139 Y2140 L2141S2139-G2143 PolarHBondContact O-N 2.91Å; Y2140-G2143 PolarHBondContact O-N 3.28Å; L2141-G2143 PolarHBondContact O-N 3.46Å
2144Y83.2Confident85.3Confident33 Ų3346.9 Ų46.913%0.12923%0.233CC..SBendtrans-118.1142.5-175.7-62.7-84.4000110.5Y2140 L2141 K2142 D2148 Q2245 F2337 D2339Y2140-Y2144 HydrophobicContact CD1-CE2 4.26Å; Y2140-Y2144 HydrophobicContact CE1-CD2 4.36Å; Y2140-Y2144 AromaticContact CE1-CE2 3.77Å; Y2140-Y2144 HydrophobicContact CE1-CE2 3.77Å; Y2140-Y2144 HydrophobicContact CE2-CE2 4.32Å; Y2140-Y2144 AromaticContact CZ-CE2 3.8Å; Y2140-Y2144 WeakPolarHBondContact O-CD2 3.35Å; L2141-Y2144 PolarHBondContact O-N 2.95Å; K2142-Y2144 VanDerWaalsContact C-N 3.33Å; Y2144-D2148 HydrophobicContact CD1-CB 3.9Å; Y2144-D2148 HydrophobicContact CG-CB 4.49Å; Y2144-Q2245 PolarHBondContact OH-NE2 3.43Å; Y2144-Q2245 VanDerWaalsContact OH-NE2 3.14Å; Y2144-F2337 HydrophobicContact CD1-CB 4.4Å; Y2144-F2337 AromaticContact CD2-CD1 4Å; Y2144-F2337 HydrophobicContact CD2-CD1 4Å; Y2144-F2337 HydrophobicContact CE1-CB 4.17Å; Y2144-F2337 HydrophobicContact CE2-CB 4.32Å; Y2144-F2337 HydrophobicContact CE2-CD1 4.43Å; Y2144-F2337 HydrophobicContact CG-CD1 4.19Å; Y2144-D2339 WeakPolarHBondContact CE1-OD1 3.32Å; Y2144-D2339 PolarHBondContact OH-OD1 2.72Å
2145T82Confident85.5Confident54 Ų5451.8 Ų51.833%0.33125%0.251SS..  trans-86.717316972.90000110.8E2147 D2148 I2149 R2340T2145-E2147 PolarHBondContact O-N 3.43Å; T2145-E2147 PolarHBondContact OG1-N 2.88Å; T2145-D2148 PolarHBondContact N-OD2 3.49Å; T2145-D2148 PolarHBondContact O-N 3.4Å; T2145-D2148 VanDerWaalsContact O-N 3.12Å; T2145-D2148 PolarHBondContact OG1-OD2 3.18Å; T2145-I2149 WeakPolarHBondContact O-CG1 3.18Å; T2145-R2340 VanDerWaalsContact CG2-NH2 3.31Å; T2145-R2340 PolarHBondContact OG1-NH2 3.36Å; T2145-R2340 VanDerWaalsContact OG1-NH2 3.15Å
2146Y84.7Confident85.5Confident112 Ų11243.4 Ų43.444%0.43922%0.22SC..THydrogen-bonded Turntrans-63.3-20.5175.266.9-93.3000113
2147E80.4Confident85.6Confident75 Ų7540.7 Ų40.735%0.3521%0.206SC..THydrogen-bonded Turntrans-81.1-26.6176.6-56.3178166.500111.8I2071 T2145 I2149I2071-E2147 HydrophobicContact CD1-CB 3.84Å; T2145-E2147 PolarHBondContact O-N 3.43Å; T2145-E2147 PolarHBondContact OG1-N 2.88Å; E2147-I2149 VanDerWaalsContact C-N 3.28Å
2148D83.7Confident85.7Confident4 Ų441.4 Ų41.42%0.02121%0.211CC..SBendtrans-83.5-1.4176.9-53.1-55.2000112.3I2071 Y2144 T2145 I2338 R2340I2071-D2148 WeakPolarHBondContact CD1-OD1 3.4Å; I2071-D2148 WeakPolarHBondContact CG1-OD1 3.48Å; Y2144-D2148 HydrophobicContact CD1-CB 3.9Å; Y2144-D2148 HydrophobicContact CG-CB 4.49Å; T2145-D2148 PolarHBondContact N-OD2 3.49Å; T2145-D2148 PolarHBondContact O-N 3.4Å; T2145-D2148 VanDerWaalsContact O-N 3.12Å; T2145-D2148 PolarHBondContact OG1-OD2 3.18Å; D2148-I2338 PolarHBondContact O-N 3.47Å; D2148-R2340 WeakPolarHBondContact OD1-CG 3.32Å; D2148-R2340 IonicContact OD1-CZ 2.87Å; D2148-R2340 IonicContact OD1-NE 3.23Å; D2148-R2340 PolarHBondContact OD1-NE 2.92Å; D2148-R2340 IonicContact OD1-NH2 2.66Å; D2148-R2340 PolarHBondContact OD1-NH2 3Å; D2148-R2340 IonicContact OD2-CZ 2.82Å; D2148-R2340 IonicContact OD2-NE 2.76Å; D2148-R2340 PolarHBondContact OD2-NE 3.42Å; D2148-R2340 IonicContact OD2-NH2 2.57Å; D2148-R2340 PolarHBondContact OD2-NH2 3.32Å
2149I88.2Confident85.6Confident1 Ų146 Ų461%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-121114.8-175.6-57.8169.9000110.5I2107 L2112 L2141 T2145 E2147 V2335 G2336 F2337I2107-I2149 HydrophobicContact CB-CB 4.31Å; I2107-I2149 HydrophobicContact CB-CG2 3.94Å; I2107-I2149 HydrophobicContact CD1-CG2 4.12Å; I2107-I2149 HydrophobicContact CG2-CB 3.63Å; I2107-I2149 HydrophobicContact CG2-CD1 4.39Å; I2107-I2149 HydrophobicContact CG2-CG2 3.75Å; I2107-I2149 PolarHBondContact N-O 3.11Å; L2112-I2149 HydrophobicContact CD1-CD1 3.66Å; L2112-I2149 HydrophobicContact CD2-CD1 4.38Å; L2141-I2149 HydrophobicContact CD1-CD1 4.19Å; T2145-I2149 WeakPolarHBondContact O-CG1 3.18Å; E2147-I2149 VanDerWaalsContact C-N 3.28Å; I2149-V2335 HydrophobicContact CG2-CG1 3.87Å; I2149-G2336 WeakPolarHBondContact CA-O 3.45Å; I2149-F2337 HydrophobicContact CD1-CD1 4.12Å; I2149-F2337 HydrophobicContact CD1-CE1 3.89Å; I2149-F2337 HydrophobicContact CG1-CD1 3.77Å; I2149-F2337 HydrophobicContact CG1-CE1 3.98Å; I2149-F2337 HydrophobicContact CG2-CE1 4.36Å
2150L86.6Confident85.5Confident11 Ų1145.8 Ų45.86%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-108.5138.3-174.3-167.167.9000111.7P2074 L2104 V2152 V2335 G2336 I2338P2074-L2150 HydrophobicContact CG-CD2 3.46Å; P2074-L2150 VanDerWaalsContact CG-CD2 3.46Å; L2104-L2150 HydrophobicContact CB-CD1 4.37Å; L2104-L2150 HydrophobicContact CD2-CD2 3.99Å; L2150-V2152 HydrophobicContact CD2-CG2 4.13Å; L2150-V2152 HydrophobicContact CG-CG2 4.33Å; L2150-V2335 CarbonylContact O-C 3.58Å; L2150-V2335 WeakPolarHBondContact O-CA 3.47Å; L2150-G2336 PolarHBondContact N-O 2.89Å; L2150-G2336 PolarHBondContact O-N 3.4Å; L2150-I2338 HydrophobicContact CB-CD1 4.04Å; L2150-I2338 HydrophobicContact CD2-CD1 4.21Å
2151I88.5Confident85.4Confident0 Ų050.4 Ų50.40%024%0.24CC..EExtended strand (participates in β ladder)trans-105.5113.1169.8-54.4175.6000107.6G2105 I2107 R2153 I2319 Q2333G2105-I2151 PolarHBondContact N-O 2.96Å; G2105-I2151 WeakPolarHBondContact O-CA 3.4Å; G2105-I2151 WeakPolarHBondContact O-CB 3.39Å; G2105-I2151 PolarHBondContact O-N 3.01Å; I2107-I2151 HydrophobicContact CB-CD1 4.31Å; I2107-I2151 HydrophobicContact CB-CG1 4.43Å; I2107-I2151 HydrophobicContact CG1-CD1 4.23Å; I2151-R2153 HydrophobicContact CG2-CG 4.29Å; I2151-I2319 HydrophobicContact CD1-CD1 4.42Å; I2151-I2319 HydrophobicContact CD1-CG2 4.4Å; I2151-Q2333 HydrophobicContact CG2-CG 3.6Å
2152V88.3Confident85.4Confident0 Ų050.6 Ų50.60%024%0.241CC..EExtended strand (participates in β ladder)trans-96.4130.3175.8-172.80000108.7V2077 A2094 L2150 F2154 F2190 Q2333 V2334V2077-V2152 HydrophobicContact CB-CG1 4.01Å; V2077-V2152 HydrophobicContact CG1-CG1 4.21Å; V2077-V2152 HydrophobicContact CG2-CG1 4.32Å; V2077-V2152 HydrophobicContact CG2-CG2 4.15Å; A2094-V2152 HydrophobicContact CB-CG1 3.88Å; L2150-V2152 HydrophobicContact CD2-CG2 4.13Å; L2150-V2152 HydrophobicContact CG-CG2 4.33Å; V2152-F2154 HydrophobicContact CB-CE2 4.41Å; V2152-F2154 HydrophobicContact CB-CZ 4.46Å; V2152-F2154 HydrophobicContact CG1-CD2 4.39Å; V2152-F2154 HydrophobicContact CG1-CE1 3.9Å; V2152-F2154 HydrophobicContact CG1-CE2 3.74Å; V2152-F2154 HydrophobicContact CG1-CZ 3.45Å; V2152-F2154 VanDerWaalsContact CG1-CZ 3.45Å; V2152-F2190 HydrophobicContact CG2-CE1 4.05Å; V2152-F2190 HydrophobicContact CG2-CZ 4.35Å; V2152-Q2333 WeakPolarHBondContact O-CA 3.26Å; V2152-V2334 PolarHBondContact N-O 3.24Å; V2152-V2334 PolarHBondContact O-N 3.28Å
2153R87.7Confident85.2Confident41 Ų4147 Ų4716%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-123.4107.9179.9-59.9-173.7-174.7103.15.8110.4A2102 E2103 I2151 Y2331 Q2333A2102-R2153 PolarHBondContact O-NH1 3.48Å; E2103-R2153 PolarHBondContact O-N 2.94Å; I2151-R2153 HydrophobicContact CG2-CG 4.29Å; R2153-Y2331 HydrophobicContact CB-CD1 4Å; R2153-Y2331 HydrophobicContact CB-CG 4.08Å; R2153-Q2333 HydrophobicContact CG-CG 4.33Å
2154F88.4Confident85.2Confident0 Ų045.3 Ų45.30%021%0.21CC..EExtended strand (participates in β ladder)trans-85.8136.2172.8-54.2-77.8000109.9V2077 L2079 Y2090 M2092 A2094 V2152 L2188 Y2331 L2332 V2334V2077-F2154 HydrophobicContact CB-CE1 4.44Å; V2077-F2154 HydrophobicContact CB-CZ 4.41Å; V2077-F2154 HydrophobicContact CG1-CE1 4.23Å; V2077-F2154 HydrophobicContact CG1-CZ 3.83Å; L2079-F2154 HydrophobicContact CB-CD1 3.81Å; L2079-F2154 HydrophobicContact CB-CD2 4.34Å; L2079-F2154 HydrophobicContact CB-CE1 3.59Å; L2079-F2154 HydrophobicContact CB-CE2 4.15Å; L2079-F2154 HydrophobicContact CB-CG 4.19Å; L2079-F2154 HydrophobicContact CB-CZ 3.79Å; L2079-F2154 HydrophobicContact CD2-CD2 3.8Å; L2079-F2154 HydrophobicContact CD2-CE2 4.06Å; L2079-F2154 HydrophobicContact CD2-CG 4.07Å; Y2090-F2154 WeakPolarHBondContact OH-CB 3.23Å; M2092-F2154 HydrophobicContact CB-CB 4.38Å; M2092-F2154 HydrophobicContact CB-CD1 4.31Å; M2092-F2154 HydrophobicContact CG-CB 3.8Å; M2092-F2154 HydrophobicContact CG-CD1 3.96Å; M2092-F2154 HydrophobicContact CG-CG 4.39Å; A2094-F2154 HydrophobicContact CB-CD1 4.14Å; A2094-F2154 HydrophobicContact CB-CE1 4.09Å; V2152-F2154 HydrophobicContact CB-CE2 4.41Å; V2152-F2154 HydrophobicContact CB-CZ 4.46Å; V2152-F2154 HydrophobicContact CG1-CD2 4.39Å; V2152-F2154 HydrophobicContact CG1-CE1 3.9Å; V2152-F2154 HydrophobicContact CG1-CE2 3.74Å; V2152-F2154 HydrophobicContact CG1-CZ 3.45Å; V2152-F2154 VanDerWaalsContact CG1-CZ 3.45Å; F2154-L2188 HydrophobicContact CE1-CD1 4.49Å; F2154-L2188 HydrophobicContact CE2-CD1 4.19Å; F2154-L2188 HydrophobicContact CZ-CD1 3.61Å; F2154-Y2331 WeakPolarHBondContact O-CD1 3.47Å; F2154-L2332 HydrophobicContact CB-CB 4.09Å; F2154-L2332 HydrophobicContact CB-CD2 4.49Å; F2154-L2332 HydrophobicContact CB-CG 4.33Å; F2154-L2332 HydrophobicContact CD2-CG 4.27Å; F2154-L2332 WeakPolarHBondContact CD2-O 3.32Å; F2154-L2332 PolarHBondContact N-O 3.15Å; F2154-L2332 PolarHBondContact O-N 3.34Å; F2154-V2334 HydrophobicContact CE2-CB 4.37Å; F2154-V2334 HydrophobicContact CE2-CG2 4.03Å
2155R86.4Confident85.3Confident109 Ų10946.8 Ų46.841%0.41123%0.225SC..  trans-65142177.7-58.9176.7-174.6174.68.4110.1Y2090 M2092 E2103 E2157 Y2326 Y2331Y2090-R2155 WeakPolarHBondContact CE2-O 3.17Å; Y2090-R2155 PolarHBondContact OH-O 2.9Å; M2092-R2155 HydrophobicContact CE-CB 3.7Å; M2092-R2155 HydrophobicContact CE-CG 4.36Å; M2092-R2155 HydrophobicContact SD-CB 3.81Å; M2092-R2155 HydrophobicContact SD-CG 3.92Å; E2103-R2155 IonicContact OE1-CZ 3.57Å; E2103-R2155 IonicContact OE1-NE 2.87Å; E2103-R2155 PolarHBondContact OE1-NE 3Å; E2103-R2155 IonicContact OE1-NH2 3.68Å; E2103-R2155 PolarHBondContact OE1-NH2 3.44Å; R2155-E2157 PolarHBondContact O-N 2.94Å; R2155-Y2326 WeakPolarHBondContact CB-OH 3.32Å; R2155-Y2331 HydrophobicContact CG-CE1 4.2Å
2156P85.4Confident85.3Confident0 Ų049.1 Ų49.10%023%0.232CC..SBendtrans-67.3-24.3-176.525.3-32.7000113.3I2304 A2305 T2324 R2329P2156-I2304 HydrophobicContact CB-CG2 4.44Å; P2156-I2304 CarbonylContact O-C 3.28Å; P2156-I2304 VanDerWaalsContact O-CA 3.22Å; P2156-I2304 WeakPolarHBondContact O-CA 3.36Å; P2156-A2305 WeakPolarHBondContact CA-O 3.38Å; P2156-A2305 PolarHBondContact O-N 2.99Å; P2156-T2324 HydrophobicContact CG-CG2 3.84Å; P2156-R2329 HydrophobicContact CB-CB 4.15Å; P2156-R2329 HydrophobicContact CG-CB 3.66Å
2157E85.9Confident85.2Confident40 Ų4049.9 Ų49.919%0.18724%0.244CC..BIsolated β-bridgetrans-93.1131.1178.3-70.3150.5-149.900109.7M2092 R2155 E2159 M2302 I2304 S2327 R2329M2092-E2157 WeakPolarHBondContact CE-O 3.31Å; R2155-E2157 PolarHBondContact O-N 2.94Å; E2157-E2159 PolarHBondContact O-N 3.04Å; E2157-M2302 HydrophobicContact CB-CE 3.76Å; E2157-M2302 HydrophobicContact CG-CE 3.67Å; E2157-I2304 HydrophobicContact CG-CG1 4.02Å; E2157-S2327 WeakPolarHBondContact OE1-CB 3.47Å; E2157-S2327 PolarHBondContact OE1-OG 3.29Å; E2157-R2329 IonicContact OE1-CZ 2.59Å; E2157-R2329 IonicContact OE1-NH1 3.14Å; E2157-R2329 PolarHBondContact OE1-NH1 3.15Å
2158S87.1Confident85.5Confident14 Ų1447.8 Ų47.810%0.09824%0.237CC..  trans-56.7135.4175.9-174.80000111.3E2091 I2160 W2303E2091-S2158 PolarHBondContact N-OG 3.12Å; E2091-S2158 PolarHBondContact O-OG 3.24Å; S2158-I2160 VanDerWaalsContact C-N 3.26Å; S2158-I2160 PolarHBondContact O-N 2.91Å; S2158-I2160 PolarHBondContact OG-O 3.26Å; S2158-W2303 WeakPolarHBondContact CB-O 3.49Å; S2158-W2303 PolarHBondContact N-O 3.11Å
2159E84.9Confident85.5Confident117 Ų11748.7 Ų48.755%0.54724%0.24SC..SBendtrans-67.6-31.8178.9-175.3175.2-177.500111.5E2091 M2092 E2093 E2157E2091-E2159 WeakPolarHBondContact O-CB 3.47Å; E2091-E2159 PolarHBondContact O-N 3.07Å; M2092-E2159 HydrophobicContact CE-CB 3.7Å; M2092-E2159 HydrophobicContact SD-CB 4.4Å; E2093-E2159 PolarHBondContact N-OE2 2.96Å; E2157-E2159 PolarHBondContact O-N 3.04Å
2160I83.8Confident85.4Confident80 Ų8052.3 Ų52.341%0.4126%0.26SS..SBendtrans-110.1128.6-178.9-51-178.8000108.7E2091 S2158E2091-I2160 HydrophobicContact CB-CD1 4.43Å; E2091-I2160 HydrophobicContact CG-CD1 4.17Å; S2158-I2160 VanDerWaalsContact C-N 3.26Å; S2158-I2160 PolarHBondContact O-N 2.91Å; S2158-I2160 PolarHBondContact OG-O 3.26Å
2161Y84.7Confident85.3Confident143 Ų14353.8 Ų53.856%0.56127%0.273SS*.  trans-60.7137.4167.7-68.5-71.8000110.1P2163 M2302Y2161-P2163 WeakPolarHBondContact O-CD 3.42Å; Y2161-M2302 HydrophobicContact CD1-CB 4.11Å; Y2161-M2302 HydrophobicContact CE1-CB 4.32Å
2162W86.1Confident85.2Confident10 Ų1053.8 Ų53.84%0.03827%0.274CS..  trans-59.9107-171.5-176.138.1000112P2088 L2089 I2164 R2169 M2172 L2226 K2301 W2303P2088-W2162 VanDerWaalsContact O-CD1 3.25Å; L2089-W2162 HydrophobicContact CD2-CD2 4.42Å; L2089-W2162 HydrophobicContact CD2-CZ2 3.67Å; W2162-I2164 HydrophobicContact CD2-CB 3.98Å; W2162-I2164 HydrophobicContact CD2-CG2 3.54Å; W2162-I2164 HydrophobicContact CE3-CB 4.47Å; W2162-I2164 HydrophobicContact CE3-CG2 3.54Å; W2162-I2164 HydrophobicContact CG-CB 4.43Å; W2162-I2164 HydrophobicContact CG-CG2 4.28Å; W2162-I2164 HydrophobicContact CH2-CB 4.46Å; W2162-I2164 HydrophobicContact CH2-CD1 3.8Å; W2162-I2164 HydrophobicContact CH2-CG2 3.76Å; W2162-I2164 HydrophobicContact CZ2-CB 4Å; W2162-I2164 HydrophobicContact CZ2-CD1 3.24Å; W2162-I2164 HydrophobicContact CZ2-CG1 4.18Å; W2162-I2164 HydrophobicContact CZ2-CG2 3.78Å; W2162-I2164 HydrophobicContact CZ3-CG2 3.65Å; W2162-I2164 PolarHBondContact O-N 3.08Å; W2162-R2169 HydrophobicContact CH2-CG 4.28Å; W2162-M2172 HydrophobicContact CH2-SD 4.42Å; W2162-M2172 HydrophobicContact CZ2-CE 4.03Å; W2162-M2172 HydrophobicContact CZ2-SD 4.05Å; W2162-L2226 HydrophobicContact CH2-CD2 3.5Å; W2162-L2226 VanDerWaalsContact CH2-CD2 3.5Å; W2162-L2226 HydrophobicContact CZ2-CD2 4.05Å; W2162-L2226 HydrophobicContact CZ3-CD2 4.34Å; W2162-K2301 HydrophobicContact CB-CB 4.46Å; W2162-K2301 HydrophobicContact CE3-CB 4.38Å; W2162-K2301 HydrophobicContact CE3-CD 4.27Å; W2162-K2301 PolarHBondContact N-O 3.11Å; W2162-W2303 AromaticContact CD2-NE1 3.29Å; W2162-W2303 VanDerWaalsContact CD2-NE1 3.29Å; W2162-W2303 AromaticContact CE2-NE1 3.83Å; W2162-W2303 HydrophobicContact CE3-CZ2 4.26Å; W2162-W2303 AromaticContact CE3-NE1 3.43Å; W2162-W2303 AromaticContact CG-CD1 3.86Å; W2162-W2303 AromaticContact CG-NE1 3.49Å; W2162-W2303 HydrophobicContact CH2-CZ2 4.24Å; W2162-W2303 HydrophobicContact CZ3-CZ2 4.05Å
2163P81.8Confident85Confident82 Ų8254.9 Ų54.953%0.53228%0.279SS..  trans-8952.6-165.336.1-33.9000110.8P2087 Y2161P2087-P2163 HydrophobicContact CB-CG 4Å; Y2161-P2163 WeakPolarHBondContact O-CD 3.42Å
2164I82Confident84.9Confident25 Ų2555.9 Ų55.913%0.12829%0.288CS..  trans-94.2129.4-179-157.2166.3000111.1W2162 S2168 R2169 M2172W2162-I2164 HydrophobicContact CD2-CB 3.98Å; W2162-I2164 HydrophobicContact CD2-CG2 3.54Å; W2162-I2164 HydrophobicContact CE3-CB 4.47Å; W2162-I2164 HydrophobicContact CE3-CG2 3.54Å; W2162-I2164 HydrophobicContact CG-CB 4.43Å; W2162-I2164 HydrophobicContact CG-CG2 4.28Å; W2162-I2164 HydrophobicContact CH2-CB 4.46Å; W2162-I2164 HydrophobicContact CH2-CD1 3.8Å; W2162-I2164 HydrophobicContact CH2-CG2 3.76Å; W2162-I2164 HydrophobicContact CZ2-CB 4Å; W2162-I2164 HydrophobicContact CZ2-CD1 3.24Å; W2162-I2164 HydrophobicContact CZ2-CG1 4.18Å; W2162-I2164 HydrophobicContact CZ2-CG2 3.78Å; W2162-I2164 HydrophobicContact CZ3-CG2 3.65Å; W2162-I2164 PolarHBondContact O-N 3.08Å; I2164-S2168 WeakPolarHBondContact CG1-OG 3.19Å; I2164-R2169 HydrophobicContact CD1-CB 3.94Å; I2164-R2169 HydrophobicContact CG1-CB 4.13Å; I2164-R2169 HydrophobicContact CG2-CB 4.13Å; I2164-M2172 HydrophobicContact CD1-CE 3.82Å; I2164-M2172 HydrophobicContact CD1-SD 4.39Å
2165S83.9Confident84.6Confident64 Ų6459.1 Ų59.145%0.44830%0.302SS..  trans-67.5151167.674.90000110D2167 S2168 R2169S2165-D2167 PolarHBondContact O-N 3.42Å; S2165-S2168 PolarHBondContact N-OG 3.34Å; S2165-S2168 VanDerWaalsContact N-OG 3.15Å; S2165-S2168 PolarHBondContact O-N 3.25Å; S2165-S2168 PolarHBondContact O-OG 3.34Å; S2165-S2168 WeakPolarHBondContact OG-CB 3.49Å; S2165-S2168 PolarHBondContact OG-N 3.43Å; S2165-S2168 PolarHBondContact OG-OG 3.28Å; S2165-R2169 WeakPolarHBondContact O-CB 3.28Å; S2165-R2169 PolarHBondContact O-N 2.83Å
2166Q81.6Confident84.2Confident103 Ų10354 Ų5448%0.48128%0.283SS..Hα-helixtrans-61-31.4177.6-174.266.9600111.4R2169 N2170Q2166-R2169 PolarHBondContact O-N 2.89Å; Q2166-N2170 WeakPolarHBondContact O-CB 3.42Å; Q2166-N2170 PolarHBondContact O-N 2.97Å; Q2166-N2170 PolarHBondContact O-ND2 3.04Å
2167D84.5Confident84Confident128 Ų12857.4 Ų57.468%0.68431%0.306SS*.Hα-helixtrans-69.2-44.9174.4-64.5-32.7000112.6S2165 R2169 N2170 A2171S2165-D2167 PolarHBondContact O-N 3.42Å; D2167-R2169 VanDerWaalsContact C-N 3.3Å; D2167-R2169 PolarHBondContact O-N 3.11Å; D2167-N2170 PolarHBondContact O-N 3.31Å; D2167-A2171 VanDerWaalsContact O-CB 3.32Å; D2167-A2171 WeakPolarHBondContact O-CB 3.44Å; D2167-A2171 PolarHBondContact O-N 2.86Å
2168S84.9Confident83.5Confident31 Ų3162.5 Ų62.522%0.21732%0.324CS..Hα-helixtrans-69-28.4175.455.60000112.8Y2086 I2164 S2165 M2172Y2086-S2168 WeakPolarHBondContact CE1-O 3.29Å; I2164-S2168 WeakPolarHBondContact CG1-OG 3.19Å; S2165-S2168 PolarHBondContact N-OG 3.34Å; S2165-S2168 VanDerWaalsContact N-OG 3.15Å; S2165-S2168 PolarHBondContact O-N 3.25Å; S2165-S2168 PolarHBondContact O-OG 3.34Å; S2165-S2168 WeakPolarHBondContact OG-CB 3.49Å; S2165-S2168 PolarHBondContact OG-N 3.43Å; S2165-S2168 PolarHBondContact OG-OG 3.28Å; S2168-M2172 VanDerWaalsContact O-CB 3.32Å; S2168-M2172 WeakPolarHBondContact O-CB 3.49Å; S2168-M2172 PolarHBondContact O-N 3.23Å
2169R84Confident82.8Confident23 Ų2368.7 Ų68.79%0.08736%0.356CS..Hα-helixtrans-67.5-45169.4-176.5-175178.9-152.84.1111.5W2162 I2164 S2165 Q2166 D2167 A2171 M2172 I2173 L2226 R2227W2162-R2169 HydrophobicContact CH2-CG 4.28Å; I2164-R2169 HydrophobicContact CD1-CB 3.94Å; I2164-R2169 HydrophobicContact CG1-CB 4.13Å; I2164-R2169 HydrophobicContact CG2-CB 4.13Å; S2165-R2169 WeakPolarHBondContact O-CB 3.28Å; S2165-R2169 PolarHBondContact O-N 2.83Å; Q2166-R2169 PolarHBondContact O-N 2.89Å; D2167-R2169 VanDerWaalsContact C-N 3.3Å; D2167-R2169 PolarHBondContact O-N 3.11Å; R2169-A2171 VanDerWaalsContact C-N 3.35Å; R2169-M2172 WeakPolarHBondContact O-CB 3.3Å; R2169-M2172 PolarHBondContact O-N 3.49Å; R2169-I2173 HydrophobicContact CG-CD1 4.21Å; R2169-I2173 VanDerWaalsContact O-CG1 3.29Å; R2169-I2173 WeakPolarHBondContact O-CG1 3.09Å; R2169-I2173 PolarHBondContact O-N 2.96Å; R2169-L2226 VanDerWaalsContact CZ-O 3.23Å; R2169-L2226 PolarHBondContact NE-O 3.45Å; R2169-L2226 PolarHBondContact NH2-O 3.38Å; R2169-R2227 PolarHBondContact NH2-O 2.93Å
2170N87.5Confident82.2Confident77 Ų7766 Ų6641%0.41235%0.347SS..Hα-helixtrans-63.9-40.5174.4-70.3-19.6000111.2Q2166 D2167 I2173 D2174Q2166-N2170 WeakPolarHBondContact O-CB 3.42Å; Q2166-N2170 PolarHBondContact O-N 2.97Å; Q2166-N2170 PolarHBondContact O-ND2 3.04Å; D2167-N2170 PolarHBondContact O-N 3.31Å; N2170-I2173 PolarHBondContact O-N 3.29Å; N2170-D2174 WeakPolarHBondContact O-CB 3.35Å; N2170-D2174 PolarHBondContact O-N 2.76Å
2171A84.3Confident81.7Confident42 Ų4266.8 Ų66.835%0.34736%0.36SS..Hα-helixtrans-66.6-35.1174.800000112.5Y2086 D2167 R2169 D2174 K2175Y2086-A2171 VanDerWaalsContact OH-C 3.26Å; Y2086-A2171 PolarHBondContact OH-O 3.49Å; D2167-A2171 VanDerWaalsContact O-CB 3.32Å; D2167-A2171 WeakPolarHBondContact O-CB 3.44Å; D2167-A2171 PolarHBondContact O-N 2.86Å; R2169-A2171 VanDerWaalsContact C-N 3.35Å; A2171-D2174 PolarHBondContact O-N 2.97Å; A2171-K2175 VanDerWaalsContact O-CB 3.23Å; A2171-K2175 WeakPolarHBondContact O-CB 3.35Å; A2171-K2175 PolarHBondContact O-N 3.26Å
2172M85.6Confident81.4Confident1 Ų160.1 Ų60.11%0.00533%0.334CS..Hα-helixtrans-64.8-46.7171.8-178.3-173.2-77.100110.9I2083 Y2086 W2162 I2164 S2168 R2169 D2174 K2175 L2176 L2226I2083-M2172 HydrophobicContact CB-CE 4.11Å; I2083-M2172 HydrophobicContact CD1-CE 3.88Å; I2083-M2172 HydrophobicContact CD1-CG 4.45Å; I2083-M2172 HydrophobicContact CD1-SD 3.62Å; I2083-M2172 HydrophobicContact CG2-CE 4.46Å; Y2086-M2172 HydrophobicContact CD1-CB 4.25Å; Y2086-M2172 HydrophobicContact CD1-CE 3.81Å; Y2086-M2172 HydrophobicContact CD2-CB 4.43Å; Y2086-M2172 HydrophobicContact CD2-CE 3.59Å; Y2086-M2172 HydrophobicContact CD2-CG 4.25Å; Y2086-M2172 HydrophobicContact CE1-CB 3.84Å; Y2086-M2172 HydrophobicContact CE2-CB 4.01Å; Y2086-M2172 HydrophobicContact CE2-CE 4.32Å; Y2086-M2172 HydrophobicContact CE2-CG 4.07Å; Y2086-M2172 HydrophobicContact CG-CE 3.29Å; Y2086-M2172 WeakPolarHBondContact OH-CA 3.25Å; Y2086-M2172 PolarHBondContact OH-N 3.19Å; W2162-M2172 HydrophobicContact CH2-SD 4.42Å; W2162-M2172 HydrophobicContact CZ2-CE 4.03Å; W2162-M2172 HydrophobicContact CZ2-SD 4.05Å; I2164-M2172 HydrophobicContact CD1-CE 3.82Å; I2164-M2172 HydrophobicContact CD1-SD 4.39Å; S2168-M2172 VanDerWaalsContact O-CB 3.32Å; S2168-M2172 WeakPolarHBondContact O-CB 3.49Å; S2168-M2172 PolarHBondContact O-N 3.23Å; R2169-M2172 WeakPolarHBondContact O-CB 3.3Å; R2169-M2172 PolarHBondContact O-N 3.49Å; M2172-D2174 VanDerWaalsContact C-N 3.34Å; M2172-D2174 PolarHBondContact O-N 2.88Å; M2172-K2175 PolarHBondContact O-N 3.41Å; M2172-L2176 HydrophobicContact CG-CD1 4.07Å; M2172-L2176 WeakPolarHBondContact O-CB 3.36Å; M2172-L2176 WeakPolarHBondContact O-CD1 3.46Å; M2172-L2176 VanDerWaalsContact O-CG 3.29Å; M2172-L2176 WeakPolarHBondContact O-CG 3.27Å; M2172-L2176 PolarHBondContact O-N 3.06Å; M2172-L2226 HydrophobicContact CG-CD1 4.03Å; M2172-L2226 HydrophobicContact SD-CD1 3.71Å; M2172-L2226 HydrophobicContact SD-CD2 3.58Å; M2172-L2226 VanDerWaalsContact SD-CD2 3.58Å; M2172-L2226 HydrophobicContact SD-CG 4.33Å
2173I84.8Confident81.3Confident23 Ų2361.2 Ų61.212%0.11834%0.341CS..Hα-helixtrans-61-42175.7-68.4165000110.7R2169 N2170 L2176 S2177 Q2223 L2226 R2227R2169-I2173 HydrophobicContact CG-CD1 4.21Å; R2169-I2173 VanDerWaalsContact O-CG1 3.29Å; R2169-I2173 WeakPolarHBondContact O-CG1 3.09Å; R2169-I2173 PolarHBondContact O-N 2.96Å; N2170-I2173 PolarHBondContact O-N 3.29Å; I2173-L2176 PolarHBondContact O-N 2.68Å; I2173-S2177 PolarHBondContact O-N 3.04Å; I2173-Q2223 HydrophobicContact CG2-CG 4.48Å; I2173-L2226 HydrophobicContact CD1-CB 4.31Å; I2173-L2226 HydrophobicContact CG1-CB 4.08Å; I2173-L2226 HydrophobicContact CG1-CD1 4.29Å; I2173-R2227 HydrophobicContact CD1-CG 4.29Å
2174D85.2Confident81.5Confident62 Ų6257.7 Ų57.733%0.33232%0.317SS..Hα-helixtrans-64.7-48174.8-179.928.6000112N2170 A2171 M2172 L2176 S2177 R2178N2170-D2174 WeakPolarHBondContact O-CB 3.35Å; N2170-D2174 PolarHBondContact O-N 2.76Å; A2171-D2174 PolarHBondContact O-N 2.97Å; M2172-D2174 VanDerWaalsContact C-N 3.34Å; M2172-D2174 PolarHBondContact O-N 2.88Å; D2174-L2176 PolarHBondContact O-N 3.34Å; D2174-S2177 WeakPolarHBondContact O-CA 3.45Å; D2174-S2177 WeakPolarHBondContact O-CB 3.42Å; D2174-S2177 PolarHBondContact O-N 2.92Å; D2174-S2177 PolarHBondContact O-OG 3.27Å; D2174-R2178 VanDerWaalsContact CG-NE 3.32Å; D2174-R2178 WeakPolarHBondContact O-CG 3.32Å; D2174-R2178 PolarHBondContact O-N 3.45Å; D2174-R2178 IonicContact OD1-CZ 3.03Å; D2174-R2178 IonicContact OD1-NE 3.87Å; D2174-R2178 PolarHBondContact OD1-NE 2.92Å; D2174-R2178 IonicContact OD1-NH2 3.73Å; D2174-R2178 PolarHBondContact OD1-NH2 3.09Å; D2174-R2178 IonicContact OD2-CZ 2.62Å; D2174-R2178 VanDerWaalsContact OD2-CZ 3.28Å; D2174-R2178 IonicContact OD2-NE 2.81Å; D2174-R2178 PolarHBondContact OD2-NE 3.24Å; D2174-R2178 VanDerWaalsContact OD2-NE 3.16Å; D2174-R2178 IonicContact OD2-NH2 2.63Å; D2174-R2178 PolarHBondContact OD2-NH2 3.05Å
2175K82.1Confident81.9Confident67 Ų6759.6 Ų59.629%0.29133%0.325SS..Hα-helixtrans-62.5-28.5177.5-162.9-174.7-176.9-1710112.6E2084 Y2086 A2171 M2172 T2180 V2182E2084-K2175 PolarHBondContact O-NZ 3.19Å; Y2086-K2175 HydrophobicContact CE2-CD 3.93Å; A2171-K2175 VanDerWaalsContact O-CB 3.23Å; A2171-K2175 WeakPolarHBondContact O-CB 3.35Å; A2171-K2175 PolarHBondContact O-N 3.26Å; M2172-K2175 PolarHBondContact O-N 3.41Å; K2175-T2180 PolarHBondContact O-OG1 3.17Å; K2175-V2182 HydrophobicContact CD-CG2 3.99Å; K2175-V2182 HydrophobicContact CG-CG2 3.92Å
2176L77.8Confident82.1Confident3 Ų356.5 Ų56.52%0.01630%0.304CS..Hα-helixtrans-78.9-27171-72.9165.5000113.2M2172 I2173 D2174 I2212 R2219 I2222 Q2223 L2226M2172-L2176 HydrophobicContact CG-CD1 4.07Å; M2172-L2176 WeakPolarHBondContact O-CB 3.36Å; M2172-L2176 WeakPolarHBondContact O-CD1 3.46Å; M2172-L2176 VanDerWaalsContact O-CG 3.29Å; M2172-L2176 WeakPolarHBondContact O-CG 3.27Å; M2172-L2176 PolarHBondContact O-N 3.06Å; I2173-L2176 PolarHBondContact O-N 2.68Å; D2174-L2176 PolarHBondContact O-N 3.34Å; L2176-I2212 HydrophobicContact CD2-CD1 3.97Å; L2176-I2212 HydrophobicContact CD2-CG2 4.42Å; L2176-R2219 PolarHBondContact O-NH1 3.34Å; L2176-R2219 VanDerWaalsContact O-NH1 3.1Å; L2176-I2222 HydrophobicContact CD1-CG2 3.69Å; L2176-Q2223 HydrophobicContact CB-CG 4.39Å; L2176-L2226 HydrophobicContact CD1-CD1 3.3Å
2177S80.5Confident82.5Confident70 Ų7053 Ų5349%0.4929%0.291SS..Hα-helixtrans-75.2-28.8174.4850000112.7I2173 D2174I2173-S2177 PolarHBondContact O-N 3.04Å; D2174-S2177 WeakPolarHBondContact O-CA 3.45Å; D2174-S2177 WeakPolarHBondContact O-CB 3.42Å; D2174-S2177 PolarHBondContact O-N 2.92Å; D2174-S2177 PolarHBondContact O-OG 3.27Å
2178R75.8Confident82.8Confident148 Ų14847 Ų4756%0.55826%0.258SS*.SBendtrans-80.2150.7175.8-64.1174.8-168.7-140.710111.3D2174 T2180 R2219D2174-R2178 VanDerWaalsContact CG-NE 3.32Å; D2174-R2178 WeakPolarHBondContact O-CG 3.32Å; D2174-R2178 PolarHBondContact O-N 3.45Å; D2174-R2178 IonicContact OD1-CZ 3.03Å; D2174-R2178 IonicContact OD1-NE 3.87Å; D2174-R2178 PolarHBondContact OD1-NE 2.92Å; D2174-R2178 IonicContact OD1-NH2 3.73Å; D2174-R2178 PolarHBondContact OD1-NH2 3.09Å; D2174-R2178 IonicContact OD2-CZ 2.62Å; D2174-R2178 VanDerWaalsContact OD2-CZ 3.28Å; D2174-R2178 IonicContact OD2-NE 2.81Å; D2174-R2178 PolarHBondContact OD2-NE 3.24Å; D2174-R2178 VanDerWaalsContact OD2-NE 3.16Å; D2174-R2178 IonicContact OD2-NH2 2.63Å; D2174-R2178 PolarHBondContact OD2-NH2 3.05Å; R2178-T2180 PolarHBondContact O-N 3.12Å; R2178-R2219 PolarHBondContact O-NH1 2.9Å
2179N73.7Confident83.1Confident144 Ų14446.9 Ų46.977%0.7726%0.255SS*.SBendtrans-69.325.6176.2-81.8-0.7000114.7
2180T72.4Confident83.3Confident60 Ų6045.9 Ų45.937%0.36825%0.251SS..  trans-76.4137.7170.937.60000111K2175 R2178 R2219K2175-T2180 PolarHBondContact O-OG1 3.17Å; R2178-T2180 PolarHBondContact O-N 3.12Å; T2180-R2219 PolarHBondContact O-NH1 3.11Å; T2180-R2219 PolarHBondContact O-NH2 3.25Å
2181S73.3Confident83.1Confident97 Ų9742.7 Ų42.768%0.67823%0.234SC*.  trans-67.1131163.948.20000109.1
2182V76.9Confident82.8Confident2 Ų240.9 Ų40.91%0.01222%0.218CC..  trans-134.7132.6174-177.60000105.5I2083 E2084 K2175 I2212I2083-V2182 HydrophobicContact CG2-CG1 3.4Å; E2084-V2182 HydrophobicContact CB-CG1 4.46Å; K2175-V2182 HydrophobicContact CD-CG2 3.99Å; K2175-V2182 HydrophobicContact CG-CG2 3.92Å; V2182-I2212 HydrophobicContact CB-CD1 4.25Å; V2182-I2212 HydrophobicContact CG1-CD1 4.16Å; V2182-I2212 WeakPolarHBondContact O-CB 3.41Å; V2182-I2212 WeakPolarHBondContact O-CG1 3.11Å; V2182-I2212 PolarHBondContact O-N 2.75Å
2183N85.2Confident82Confident33 Ų3343.8 Ų43.818%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-100.4150.4178.7-55.8-59.2000110.8E2084 L2209 V2210 P2211E2084-N2183 HydrophobicContact CB-CB 4.41Å; E2084-N2183 WeakPolarHBondContact CB-O 3.35Å; E2084-N2183 PolarHBondContact N-O 3.39Å; E2084-N2183 WeakPolarHBondContact OE2-CB 3.36Å; E2084-N2183 PolarHBondContact OE2-N 3Å; E2084-N2183 VanDerWaalsContact OE2-N 3.17Å; E2084-N2183 PolarHBondContact OE2-ND2 2.91Å; N2183-L2209 HydrophobicContact CB-CB 4.47Å; N2183-L2209 HydrophobicContact CB-CD2 4.45Å; N2183-V2210 CarbonylContact C-O 3.49Å; N2183-V2210 WeakPolarHBondContact CA-O 3.43Å; N2183-P2211 VanDerWaalsContact OD1-CA 3.27Å; N2183-P2211 WeakPolarHBondContact OD1-CA 3.43Å
2184F85.9Confident80.9Confident9 Ų950.3 Ų50.34%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-79.7133.2153.8-74.9-72.3000108.1S2082 I2083 L2089 L2209 V2210 I2212 I2222 I2234 I2236S2082-F2184 WeakPolarHBondContact O-CA 3.31Å; I2083-F2184 HydrophobicContact CD1-CE1 3.85Å; I2083-F2184 HydrophobicContact CD1-CZ 4.47Å; I2083-F2184 HydrophobicContact CG1-CD1 3.66Å; I2083-F2184 HydrophobicContact CG1-CE1 3.42Å; I2083-F2184 VanDerWaalsContact CG1-CE1 3.42Å; I2083-F2184 HydrophobicContact CG1-CZ 4.35Å; L2089-F2184 HydrophobicContact CD1-CE1 3.95Å; F2184-L2209 WeakPolarHBondContact O-CA 3.48Å; F2184-V2210 HydrophobicContact CB-CB 4.37Å; F2184-V2210 PolarHBondContact N-O 2.92Å; F2184-V2210 PolarHBondContact O-N 2.74Å; F2184-I2212 HydrophobicContact CD2-CD1 3.91Å; F2184-I2212 HydrophobicContact CD2-CG1 3.49Å; F2184-I2212 VanDerWaalsContact CD2-CG1 3.49Å; F2184-I2212 HydrophobicContact CE2-CD1 3.68Å; F2184-I2212 HydrophobicContact CE2-CG1 3.52Å; F2184-I2212 HydrophobicContact CG-CD1 4.42Å; F2184-I2212 HydrophobicContact CG-CG1 4.31Å; F2184-I2212 HydrophobicContact CZ-CD1 3.99Å; F2184-I2212 HydrophobicContact CZ-CG1 4.34Å; F2184-I2222 HydrophobicContact CE2-CD1 4.16Å; F2184-I2222 HydrophobicContact CZ-CD1 4.2Å; F2184-I2234 HydrophobicContact CE1-CG2 4.47Å; F2184-I2234 HydrophobicContact CE2-CG2 4.34Å; F2184-I2234 HydrophobicContact CZ-CG2 3.73Å; F2184-I2236 HydrophobicContact CB-CD1 4.31Å; F2184-I2236 HydrophobicContact CB-CG2 4.32Å; F2184-I2236 HydrophobicContact CD1-CD1 3.61Å; F2184-I2236 HydrophobicContact CD1-CG1 4.45Å; F2184-I2236 HydrophobicContact CD2-CD1 3.96Å; F2184-I2236 HydrophobicContact CD2-CG1 3.99Å; F2184-I2236 HydrophobicContact CD2-CG2 3.97Å; F2184-I2236 HydrophobicContact CE1-CD1 3.78Å; F2184-I2236 HydrophobicContact CE1-CG1 4.38Å; F2184-I2236 HydrophobicContact CE2-CD1 4.12Å; F2184-I2236 HydrophobicContact CE2-CG1 3.91Å; F2184-I2236 HydrophobicContact CG-CD1 3.71Å; F2184-I2236 HydrophobicContact CG-CG1 4.27Å; F2184-I2236 HydrophobicContact CG-CG2 4.28Å; F2184-I2236 HydrophobicContact CZ-CD1 4.05Å; F2184-I2236 HydrophobicContact CZ-CG1 4.14Å
2185E89.4Confident79.6Confident64 Ų6450.4 Ų50.430%0.29926%0.262SS..EExtended strand (participates in β ladder)trans-108.4115.6172.5178.7173.5-157.500108.9I2081 S2082 S2207 L2209I2081-E2185 WeakPolarHBondContact CA-O 3.45Å; S2082-E2185 PolarHBondContact N-O 3.08Å; S2082-E2185 PolarHBondContact O-N 2.92Å; E2185-S2207 WeakPolarHBondContact OE1-CB 3.43Å; E2185-L2209 HydrophobicContact CB-CD2 3.96Å; E2185-L2209 HydrophobicContact CG-CD2 4.07Å
2186V89.2Confident78.4Confident0 Ų050.8 Ų50.80%027%0.271CS..EExtended strand (participates in β ladder)trans-102.6110.3169.6-177.60000107.2L2079 R2080 I2081 S2207 W2208 L2288L2079-V2186 HydrophobicContact CD1-CG1 3.87Å; R2080-V2186 WeakPolarHBondContact O-CA 3.35Å; I2081-V2186 HydrophobicContact CG1-CG2 4.43Å; I2081-V2186 HydrophobicContact CG2-CG2 4.42Å; V2186-S2207 CarbonylContact O-C 3.57Å; V2186-S2207 WeakPolarHBondContact O-CA 3.44Å; V2186-W2208 HydrophobicContact CB-CE3 4.47Å; V2186-W2208 HydrophobicContact CG1-CE3 4.24Å; V2186-W2208 PolarHBondContact N-O 3.38Å; V2186-W2208 PolarHBondContact O-N 3.35Å; V2186-L2288 HydrophobicContact CG2-CD1 4.2Å
2187S89.6Confident77.3Confident29 Ų2955.9 Ų55.920%0.20330%0.299CS..EExtended strand (participates in β ladder)trans-111.5127.6178750000110.9R2080R2080-S2187 WeakPolarHBondContact CB-OG 3.49Å; R2080-S2187 PolarHBondContact N-O 3.45Å; R2080-S2187 PolarHBondContact O-N 3.26Å
2188L91Very high76.1Confident1 Ų154.3 Ų54.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-117.1129.4173.2-175.371.4000109.5V2077 L2079 F2154 F2190 S2205 K2206 W2208 I2244 L2252 V2334V2077-L2188 HydrophobicContact CG1-CD1 3.72Å; V2077-L2188 HydrophobicContact CG1-CG 4.41Å; L2079-L2188 HydrophobicContact CB-CD1 4.15Å; L2079-L2188 HydrophobicContact CD1-CB 4.48Å; L2079-L2188 HydrophobicContact CD1-CD1 4.2Å; F2154-L2188 HydrophobicContact CE1-CD1 4.49Å; F2154-L2188 HydrophobicContact CE2-CD1 4.19Å; F2154-L2188 HydrophobicContact CZ-CD1 3.61Å; L2188-F2190 HydrophobicContact CD2-CD2 4.34Å; L2188-F2190 HydrophobicContact CD2-CE2 3.6Å; L2188-F2190 HydrophobicContact CD2-CZ 4.41Å; L2188-F2190 HydrophobicContact CG-CD2 4.34Å; L2188-F2190 HydrophobicContact CG-CE2 4.03Å; L2188-S2205 CarbonylContact O-C 3.6Å; L2188-S2205 WeakPolarHBondContact O-CA 3.32Å; L2188-K2206 PolarHBondContact N-O 2.9Å; L2188-K2206 PolarHBondContact O-N 2.95Å; L2188-W2208 HydrophobicContact CB-CH2 4.04Å; L2188-W2208 HydrophobicContact CB-CZ3 3.68Å; L2188-W2208 HydrophobicContact CD2-CH2 4.22Å; L2188-W2208 HydrophobicContact CD2-CZ3 4.46Å; L2188-I2244 HydrophobicContact CD2-CD1 3.15Å; L2188-L2252 HydrophobicContact CB-CD1 4.49Å; L2188-L2252 HydrophobicContact CD2-CD1 4.31Å; L2188-L2252 HydrophobicContact CG-CD1 4.38Å; L2188-V2334 HydrophobicContact CD2-CG1 4.42Å
2189E90.3Very high75.2Confident30 Ų3052.3 Ų52.314%0.1428%0.284CS..EExtended strand (participates in β ladder)trans-128.9117.4-179.9173.6-175.2163.900109.5V2077 T2078 T2191 K2203V2077-E2189 WeakPolarHBondContact CA-O 3.39Å; T2078-E2189 PolarHBondContact N-O 3.37Å; T2078-E2189 PolarHBondContact O-N 3.25Å; T2078-E2189 WeakPolarHBondContact OG1-CB 3.32Å; E2189-T2191 HydrophobicContact CG-CG2 4.17Å; E2189-K2203 WeakPolarHBondContact OE1-CD 3.46Å; E2189-K2203 VanDerWaalsContact OE1-CE 3.31Å; E2189-K2203 WeakPolarHBondContact OE1-CE 3.27Å; E2189-K2203 WeakPolarHBondContact OE1-CG 3.15Å; E2189-K2203 IonicContact OE1-NZ 3.78Å; E2189-K2203 PolarHBondContact OE1-NZ 3.43Å
2190F88.7Confident74.4Confident1 Ų146.8 Ų46.80%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-92.4125.1167.1-73.3-103.4000108.5P2074 V2077 V2152 L2188 H2204 I2244 V2246 L2252P2074-F2190 HydrophobicContact CB-CD1 4.1Å; P2074-F2190 HydrophobicContact CG-CD1 4.03Å; V2077-F2190 HydrophobicContact CB-CD1 4.42Å; V2077-F2190 HydrophobicContact CG1-CD1 4.04Å; V2077-F2190 HydrophobicContact CG1-CD2 4.14Å; V2077-F2190 HydrophobicContact CG1-CE1 4.05Å; V2077-F2190 HydrophobicContact CG1-CE2 4.17Å; V2077-F2190 HydrophobicContact CG1-CG 4.09Å; V2077-F2190 HydrophobicContact CG1-CZ 4.12Å; V2077-F2190 HydrophobicContact CG2-CD1 3.46Å; V2077-F2190 VanDerWaalsContact CG2-CD1 3.46Å; V2077-F2190 HydrophobicContact CG2-CE1 3.69Å; V2077-F2190 HydrophobicContact CG2-CG 4.14Å; V2152-F2190 HydrophobicContact CG2-CE1 4.05Å; V2152-F2190 HydrophobicContact CG2-CZ 4.35Å; L2188-F2190 HydrophobicContact CD2-CD2 4.34Å; L2188-F2190 HydrophobicContact CD2-CE2 3.6Å; L2188-F2190 HydrophobicContact CD2-CZ 4.41Å; L2188-F2190 HydrophobicContact CG-CD2 4.34Å; L2188-F2190 HydrophobicContact CG-CE2 4.03Å; F2190-H2204 HydrophobicContact CB-CB 4.43Å; F2190-H2204 PolarHBondContact N-O 3.16Å; F2190-H2204 PolarHBondContact O-N 2.95Å; F2190-I2244 HydrophobicContact CE2-CG2 4.45Å; F2190-V2246 HydrophobicContact CB-CG1 4.45Å; F2190-V2246 HydrophobicContact CD1-CG2 4.08Å; F2190-V2246 HydrophobicContact CD2-CG2 4.31Å; F2190-V2246 HydrophobicContact CE1-CG2 4.12Å; F2190-V2246 HydrophobicContact CE2-CG2 4.32Å; F2190-V2246 HydrophobicContact CG-CG2 4.18Å; F2190-V2246 HydrophobicContact CZ-CG2 4.24Å; F2190-L2252 HydrophobicContact CB-CD2 4.41Å; F2190-L2252 HydrophobicContact CD2-CD1 3.71Å; F2190-L2252 HydrophobicContact CD2-CD2 3.5Å; F2190-L2252 HydrophobicContact CD2-CG 4.25Å; F2190-L2252 HydrophobicContact CE2-CD1 4.05Å; F2190-L2252 HydrophobicContact CE2-CD2 4.04Å; F2190-L2252 HydrophobicContact CG-CD2 4.22Å
2191T84.5Confident73.8Confident11 Ų1145.6 Ų45.67%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-102.5129172.167.40000109.4P2074 E2075 K2076 E2189 L2202 K2203P2074-T2191 CarbonylContact C-O 3.32Å; P2074-T2191 WeakPolarHBondContact CA-O 3.46Å; P2074-T2191 VanDerWaalsContact CB-O 3.23Å; P2074-T2191 WeakPolarHBondContact CB-O 3.37Å; E2075-T2191 PolarHBondContact N-O 3.49Å; K2076-T2191 HydrophobicContact CG-CG2 4.19Å; K2076-T2191 WeakPolarHBondContact CG-OG1 3.27Å; K2076-T2191 PolarHBondContact N-OG1 3.12Å; K2076-T2191 PolarHBondContact O-N 2.77Å; K2076-T2191 PolarHBondContact O-OG1 3.25Å; E2189-T2191 HydrophobicContact CG-CG2 4.17Å; T2191-L2202 WeakPolarHBondContact CA-O 3.49Å; T2191-K2203 HydrophobicContact CG2-CG 4.26Å
2192R76.1Confident73.3Confident3 Ų345 Ų451%0.01124%0.244CC..PPolyproline II helixtrans-100.8145.1173.6-68.7-168.6-164.9-144.67.5109.4S2072 Y2194 L2202 H2204 V2246 P2247 D2339S2072-R2192 PolarHBondContact OG-NH1 3.14Å; R2192-Y2194 PolarHBondContact O-N 3.22Å; R2192-L2202 PolarHBondContact N-O 3.37Å; R2192-H2204 PolarHBondContact NE-NE2 3.22Å; R2192-V2246 PolarHBondContact NH2-O 3.29Å; R2192-P2247 PolarHBondContact NH2-O 2.99Å; R2192-D2339 PolarHBondContact NH1-O 3.26Å
2193P69.6Low73.2Confident63 Ų6350.5 Ų50.541%0.40927%0.267SS..PPolyproline II helixtrans-57.9135.4174.225.4-34.3000109.9M2073 D2195M2073-P2193 WeakPolarHBondContact O-CD 3.33Å; P2193-D2195 PolarHBondContact O-N 2.67Å; P2193-D2195 VanDerWaalsContact O-N 3.11Å
2194Y61.2Low73.2Confident159 Ų15949 Ų4962%0.62426%0.259SS*.  trans-77.397.3-176.1-176.8-111.1000111.4R2192 P2196 L2202R2192-Y2194 PolarHBondContact O-N 3.22Å; Y2194-P2196 HydrophobicContact CE1-CB 3.81Å; Y2194-P2196 HydrophobicContact CE1-CG 4.33Å; Y2194-P2196 WeakPolarHBondContact O-CD 3.3Å; Y2194-L2202 HydrophobicContact CD2-CD1 4.13Å; Y2194-L2202 HydrophobicContact CG-CD1 4.26Å
2195D58.8Low73.3Confident64 Ų6451.4 Ų51.434%0.34228%0.277SS..  trans-89.9109.8160.9-165.9-23.8000110.1P2193 N2197 E2198P2193-D2195 PolarHBondContact O-N 2.67Å; P2193-D2195 VanDerWaalsContact O-N 3.11Å; D2195-N2197 PolarHBondContact O-N 3.39Å; D2195-N2197 WeakPolarHBondContact OD1-CB 3.48Å; D2195-N2197 PolarHBondContact OD1-N 3.46Å; D2195-N2197 PolarHBondContact OD1-ND2 3.19Å; D2195-E2198 HydrophobicContact CB-CB 4.45Å; D2195-E2198 HydrophobicContact CB-CG 4.23Å; D2195-E2198 PolarHBondContact O-N 3.06Å
2196P57.3Low73.3Confident75 Ų7551.8 Ų51.849%0.48728%0.278SS..THydrogen-bonded Turntrans-61.6-14.2176.725.7-34.5000113.7Y2194Y2194-P2196 HydrophobicContact CE1-CB 3.81Å; Y2194-P2196 HydrophobicContact CE1-CG 4.33Å; Y2194-P2196 WeakPolarHBondContact O-CD 3.3Å
2197N53.2Low73.2Confident110 Ų11054.4 Ų54.459%0.58830%0.296SS*.THydrogen-bonded Turntrans-84.7-25.3-179.7-55.7-66.7000113.5D2195 S2344D2195-N2197 PolarHBondContact O-N 3.39Å; D2195-N2197 WeakPolarHBondContact OD1-CB 3.48Å; D2195-N2197 PolarHBondContact OD1-N 3.46Å; D2195-N2197 PolarHBondContact OD1-ND2 3.19Å; N2197-S2344 VanDerWaalsContact O-CB 3.23Å; N2197-S2344 WeakPolarHBondContact O-CB 3.22Å; N2197-S2344 PolarHBondContact O-OG 3.09Å
2198E55.3Low73.1Confident38 Ų3854 Ų5418%0.17829%0.291CS..THydrogen-bonded Turntrans-92.3-20.9-173.7-65.5-161.315100113.7T2070 D2195 A2200 A2341T2070-E2198 PolarHBondContact OG1-OE1 2.97Å; D2195-E2198 HydrophobicContact CB-CB 4.45Å; D2195-E2198 HydrophobicContact CB-CG 4.23Å; D2195-E2198 PolarHBondContact O-N 3.06Å; E2198-A2200 PolarHBondContact O-N 3.27Å; E2198-A2341 WeakPolarHBondContact OE2-CB 3.28Å
2199N56.8Low72.9Confident106 Ų10657.9 Ų57.957%0.56731%0.31SS*.THydrogen-bonded Turntrans52.836.8-171.5-63.4-65.2000113.2Q2249N2199-Q2249 PolarHBondContact O-NE2 3.07Å
2200A56.7Low72.5Confident28 Ų2857.4 Ų57.423%0.23131%0.31CS..  trans-71.7152.8168.800000110.5E2198 L2202E2198-A2200 PolarHBondContact O-N 3.27Å; A2200-L2202 PolarHBondContact O-N 3.04Å
2201A59.7Low72.1Confident34 Ų3461.4 Ų61.428%0.28134%0.336SS..  trans-74.2125173.700000109.7K2203 H2204A2201-K2203 PolarHBondContact O-N 3.49Å; A2201-H2204 PolarHBondContact O-NE2 2.89Å
2202L64.8Low71.7Confident86 Ų8661.4 Ų61.445%0.4534%0.335SS..SBendtrans-56-36.8-179.8-174.976.6000112.7T2191 R2192 Y2194 A2200T2191-L2202 WeakPolarHBondContact CA-O 3.49Å; R2192-L2202 PolarHBondContact N-O 3.37Å; Y2194-L2202 HydrophobicContact CD2-CD1 4.13Å; Y2194-L2202 HydrophobicContact CG-CD1 4.26Å; A2200-L2202 PolarHBondContact O-N 3.04Å
2203K74.6Confident71.6Confident116 Ų11663.9 Ų63.950%0.50435%0.353SS..EExtended strand (participates in β ladder)trans-133.5119.8-171.8-65.2174.9167.8-1120108.9E2189 T2191 A2201E2189-K2203 WeakPolarHBondContact OE1-CD 3.46Å; E2189-K2203 VanDerWaalsContact OE1-CE 3.31Å; E2189-K2203 WeakPolarHBondContact OE1-CE 3.27Å; E2189-K2203 WeakPolarHBondContact OE1-CG 3.15Å; E2189-K2203 IonicContact OE1-NZ 3.78Å; E2189-K2203 PolarHBondContact OE1-NZ 3.43Å; T2191-K2203 HydrophobicContact CG2-CG 4.26Å; A2201-K2203 PolarHBondContact O-N 3.49Å
2204H84.9Confident71.6Confident1 Ų166.4 Ų66.41%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-106.698.3169.5-59.6-89.1000107.7F2190 R2192 A2201 V2246 P2247 G2250 L2252F2190-H2204 HydrophobicContact CB-CB 4.43Å; F2190-H2204 PolarHBondContact N-O 3.16Å; F2190-H2204 PolarHBondContact O-N 2.95Å; R2192-H2204 PolarHBondContact NE-NE2 3.22Å; A2201-H2204 PolarHBondContact O-NE2 2.89Å; H2204-V2246 HydrophobicContact CB-CG1 4.09Å; H2204-P2247 PolarHBondContact CE1-O 3.5Å; H2204-P2247 PolarHBondContact NE2-O 3.49Å; H2204-G2250 PolarHBondContact ND1-O 2.93Å; H2204-L2252 HydrophobicContact CB-CD2 3.65Å; H2204-L2252 HydrophobicContact CB-CG 4.16Å; H2204-L2252 WeakPolarHBondContact O-CD1 3.27Å; H2204-L2252 WeakPolarHBondContact O-CG 3.44Å
2205S86.9Confident72.2Confident61 Ų6162.4 Ų62.443%0.42735%0.352SS..EExtended strand (participates in β ladder)trans-110.3147.4-177.955.90000111.9L2188L2188-S2205 CarbonylContact O-C 3.6Å; L2188-S2205 WeakPolarHBondContact O-CA 3.32Å
2206K89.2Confident72.9Confident71 Ų7166.8 Ų66.831%0.30937%0.372SS..EExtended strand (participates in β ladder)trans-143133.2164.8-165.265.7175.4172.20109.9L2188 W2208 E2251 L2252L2188-K2206 PolarHBondContact N-O 2.9Å; L2188-K2206 PolarHBondContact O-N 2.95Å; K2206-W2208 HydrophobicContact CB-CH2 4.23Å; K2206-W2208 HydrophobicContact CB-CZ2 4.05Å; K2206-W2208 HydrophobicContact CG-CZ2 3.9Å; K2206-E2251 HydrophobicContact CD-CB 4.44Å; K2206-E2251 IonicContact NZ-OE2 3.52Å; K2206-E2251 PolarHBondContact NZ-OE2 3.11Å; K2206-L2252 HydrophobicContact CB-CB 4.02Å; K2206-L2252 HydrophobicContact CB-CD1 4.06Å; K2206-L2252 HydrophobicContact CB-CG 4.39Å
2207S87.1Confident73.8Confident56 Ų5667.2 Ų67.239%0.39237%0.374SS..EExtended strand (participates in β ladder)trans-107.7138.9168.953.10000111E2185 V2186E2185-S2207 WeakPolarHBondContact OE1-CB 3.43Å; V2186-S2207 CarbonylContact O-C 3.57Å; V2186-S2207 WeakPolarHBondContact O-CA 3.44Å
2208W87.3Confident74.7Confident21 Ų2165.3 Ų65.38%0.0836%0.363CS..EExtended strand (participates in β ladder)trans-111.9120173.2-60-81.4000108.6V2186 L2188 K2206 P2241 I2244 F2285V2186-W2208 HydrophobicContact CB-CE3 4.47Å; V2186-W2208 HydrophobicContact CG1-CE3 4.24Å; V2186-W2208 PolarHBondContact N-O 3.38Å; V2186-W2208 PolarHBondContact O-N 3.35Å; L2188-W2208 HydrophobicContact CB-CH2 4.04Å; L2188-W2208 HydrophobicContact CB-CZ3 3.68Å; L2188-W2208 HydrophobicContact CD2-CH2 4.22Å; L2188-W2208 HydrophobicContact CD2-CZ3 4.46Å; K2206-W2208 HydrophobicContact CB-CH2 4.23Å; K2206-W2208 HydrophobicContact CB-CZ2 4.05Å; K2206-W2208 HydrophobicContact CG-CZ2 3.9Å; W2208-P2241 HydrophobicContact CH2-CG 3.66Å; W2208-P2241 HydrophobicContact CZ2-CG 3.5Å; W2208-P2241 VanDerWaalsContact CZ2-CG 3.5Å; W2208-P2241 HydrophobicContact CZ3-CG 4.3Å; W2208-I2244 HydrophobicContact CH2-CD1 4.07Å; W2208-F2285 AromaticContact CD1-CE2 3.9Å; W2208-F2285 HydrophobicContact CG-CE2 4.4Å; W2208-F2285 AromaticContact NE1-CE2 3.95Å
2209L86.9Confident75.8Confident81 Ų8163.9 Ų63.942%0.42436%0.356SS..EExtended strand (participates in β ladder)trans-93.4116175.7-61.9172.4000109N2183 F2184 E2185 R2282N2183-L2209 HydrophobicContact CB-CB 4.47Å; N2183-L2209 HydrophobicContact CB-CD2 4.45Å; F2184-L2209 WeakPolarHBondContact O-CA 3.48Å; E2185-L2209 HydrophobicContact CB-CD2 3.96Å; E2185-L2209 HydrophobicContact CG-CD2 4.07Å; L2209-R2282 PolarHBondContact O-NH2 3.09Å
2210V82Confident76.9Confident20 Ų2061.1 Ų61.112%0.12135%0.347CS..EExtended strand (participates in β ladder)trans-110114.2179.1-177.90000108.6N2183 F2184 I2212 I2236N2183-V2210 CarbonylContact C-O 3.49Å; N2183-V2210 WeakPolarHBondContact CA-O 3.43Å; F2184-V2210 HydrophobicContact CB-CB 4.37Å; F2184-V2210 PolarHBondContact N-O 2.92Å; F2184-V2210 PolarHBondContact O-N 2.74Å; V2210-I2212 PolarHBondContact O-N 2.67Å; V2210-I2236 HydrophobicContact CB-CG2 4.35Å; V2210-I2236 HydrophobicContact CG1-CG2 4.01Å
2211P80.3Confident78Confident85 Ų8565.7 Ų65.755%0.55236%0.362SS*.EExtended strand (participates in β ladder)trans-70.4131-175.427.4-33.8000112.2N2183 S2213N2183-P2211 VanDerWaalsContact OD1-CA 3.27Å; N2183-P2211 WeakPolarHBondContact OD1-CA 3.43Å; P2211-S2213 PolarHBondContact O-N 3.2Å
2212I77.2Confident79Confident11 Ų1164.4 Ų64.46%0.05635%0.35CS..  trans-72.8115.8171.3-58.9176.3000108.2L2176 V2182 F2184 V2210 R2219 I2222L2176-I2212 HydrophobicContact CD2-CD1 3.97Å; L2176-I2212 HydrophobicContact CD2-CG2 4.42Å; V2182-I2212 HydrophobicContact CB-CD1 4.25Å; V2182-I2212 HydrophobicContact CG1-CD1 4.16Å; V2182-I2212 WeakPolarHBondContact O-CB 3.41Å; V2182-I2212 WeakPolarHBondContact O-CG1 3.11Å; V2182-I2212 PolarHBondContact O-N 2.75Å; F2184-I2212 HydrophobicContact CD2-CD1 3.91Å; F2184-I2212 HydrophobicContact CD2-CG1 3.49Å; F2184-I2212 VanDerWaalsContact CD2-CG1 3.49Å; F2184-I2212 HydrophobicContact CE2-CD1 3.68Å; F2184-I2212 HydrophobicContact CE2-CG1 3.52Å; F2184-I2212 HydrophobicContact CG-CD1 4.42Å; F2184-I2212 HydrophobicContact CG-CG1 4.31Å; F2184-I2212 HydrophobicContact CZ-CD1 3.99Å; F2184-I2212 HydrophobicContact CZ-CG1 4.34Å; V2210-I2212 PolarHBondContact O-N 2.67Å; I2212-R2219 HydrophobicContact CG2-CG 4.34Å; I2212-I2222 HydrophobicContact CG2-CD1 3.77Å
2213S73.1Confident79.9Confident56 Ų5662.1 Ų62.139%0.39234%0.337SS..  trans-45.9140.8178-176.30000112.1P2211 D2215 R2219P2211-S2213 PolarHBondContact O-N 3.2Å; S2213-D2215 PolarHBondContact O-N 2.88Å; S2213-D2215 VanDerWaalsContact OG-CB 3.3Å; S2213-D2215 WeakPolarHBondContact OG-CB 3.32Å; S2213-D2215 PolarHBondContact OG-N 3.35Å; S2213-D2215 VanDerWaalsContact OG-N 3.16Å; S2213-R2219 PolarHBondContact O-NE 3.44Å
2214L71.1Confident80.3Confident115 Ų11557.4 Ų57.460%0.60232%0.319SS*.SBendtrans-69.7-7.1171.5-73.7162.8000112.3M2216L2214-M2216 PolarHBondContact O-N 2.78Å
2215D72.9Confident80.2Confident75 Ų7557.5 Ų57.540%0.40132%0.32SS..  trans-60.2117.8177-167.2-25.3000111.4S2213 T2217 I2218 R2219S2213-D2215 PolarHBondContact O-N 2.88Å; S2213-D2215 VanDerWaalsContact OG-CB 3.3Å; S2213-D2215 WeakPolarHBondContact OG-CB 3.32Å; S2213-D2215 PolarHBondContact OG-N 3.35Å; S2213-D2215 VanDerWaalsContact OG-N 3.16Å; D2215-T2217 PolarHBondContact O-N 2.78Å; D2215-T2217 VanDerWaalsContact O-N 3.17Å; D2215-T2217 WeakPolarHBondContact OD1-CB 3.44Å; D2215-T2217 PolarHBondContact OD1-N 3.43Å; D2215-T2217 PolarHBondContact OD1-OG1 3.47Å; D2215-T2217 PolarHBondContact OD2-OG1 2.79Å; D2215-I2218 HydrophobicContact CB-CD1 4.24Å; D2215-I2218 HydrophobicContact CB-CG1 4.38Å; D2215-I2218 PolarHBondContact O-N 3.26Å; D2215-R2219 PolarHBondContact O-N 2.87Å; D2215-R2219 VanDerWaalsContact O-N 3.08Å
2216M74.6Confident80Confident156 Ų15654.6 Ų54.677%0.76830%0.3SS*.Hα-helixtrans-60.5-26-178.2-168.5174-77.300111.9L2214 A2220L2214-M2216 PolarHBondContact O-N 2.78Å; M2216-A2220 WeakPolarHBondContact O-CB 3.37Å; M2216-A2220 PolarHBondContact O-N 3.08Å
2217T75.1Confident79.6Confident85 Ų8558.5 Ų58.552%0.52131%0.313SS..Hα-helixtrans-70.8-41.8178.1650000112.7D2215 K2221D2215-T2217 PolarHBondContact O-N 2.78Å; D2215-T2217 VanDerWaalsContact O-N 3.17Å; D2215-T2217 WeakPolarHBondContact OD1-CB 3.44Å; D2215-T2217 PolarHBondContact OD1-N 3.43Å; D2215-T2217 PolarHBondContact OD1-OG1 3.47Å; D2215-T2217 PolarHBondContact OD2-OG1 2.79Å; T2217-K2221 WeakPolarHBondContact O-CG 3.45Å; T2217-K2221 PolarHBondContact O-N 3.37Å; T2217-K2221 VanDerWaalsContact O-N 3.14Å
2218I72.9Confident78.8Confident70 Ų7056.8 Ų56.836%0.35930%0.303SS..Hα-helixtrans-71.5-43.9177.4-62.8173.7000109.3D2215 A2220 K2221 I2222D2215-I2218 HydrophobicContact CB-CD1 4.24Å; D2215-I2218 HydrophobicContact CB-CG1 4.38Å; D2215-I2218 PolarHBondContact O-N 3.26Å; I2218-A2220 VanDerWaalsContact C-N 3.32Å; I2218-A2220 PolarHBondContact O-N 2.99Å; I2218-K2221 PolarHBondContact O-N 2.95Å; I2218-I2222 HydrophobicContact CG2-CD1 4.08Å; I2218-I2222 WeakPolarHBondContact O-CG1 3.15Å; I2218-I2222 PolarHBondContact O-N 3.45Å
2219R78.6Confident78.2Confident8 Ų859.5 Ų59.53%0.0332%0.32CS..Hα-helixtrans-60.8-39.7175.1-70.9175.8169.3-126.4-0.1112.2L2176 R2178 T2180 I2212 S2213 D2215 I2222 Q2223L2176-R2219 PolarHBondContact O-NH1 3.34Å; L2176-R2219 VanDerWaalsContact O-NH1 3.1Å; R2178-R2219 PolarHBondContact O-NH1 2.9Å; T2180-R2219 PolarHBondContact O-NH1 3.11Å; T2180-R2219 PolarHBondContact O-NH2 3.25Å; I2212-R2219 HydrophobicContact CG2-CG 4.34Å; S2213-R2219 PolarHBondContact O-NE 3.44Å; D2215-R2219 PolarHBondContact O-N 2.87Å; D2215-R2219 VanDerWaalsContact O-N 3.08Å; R2219-I2222 PolarHBondContact O-N 2.85Å; R2219-Q2223 WeakPolarHBondContact O-CB 3.39Å; R2219-Q2223 WeakPolarHBondContact O-CG 3.31Å; R2219-Q2223 PolarHBondContact O-N 3.12Å
2220A80Confident77.3Confident47 Ų4761.9 Ų61.939%0.38834%0.34SS..Hα-helixtrans-63.7-40.3174.200000112.7M2216 I2218 Q2223 S2224M2216-A2220 WeakPolarHBondContact O-CB 3.37Å; M2216-A2220 PolarHBondContact O-N 3.08Å; I2218-A2220 VanDerWaalsContact C-N 3.32Å; I2218-A2220 PolarHBondContact O-N 2.99Å; A2220-Q2223 PolarHBondContact O-N 2.85Å; A2220-S2224 PolarHBondContact O-N 3.32Å; A2220-S2224 PolarHBondContact O-OG 2.89Å
2221K79.5Confident76.7Confident125 Ų12564.3 Ų64.354%0.54337%0.369SS..Hα-helixtrans-64.3-41.2173.7-72.6176.8-179.8-178.60112.6T2217 I2218 Q2223 S2224 A2225T2217-K2221 WeakPolarHBondContact O-CG 3.45Å; T2217-K2221 PolarHBondContact O-N 3.37Å; T2217-K2221 VanDerWaalsContact O-N 3.14Å; I2218-K2221 PolarHBondContact O-N 2.95Å; K2221-Q2223 VanDerWaalsContact C-N 3.32Å; K2221-S2224 PolarHBondContact O-N 2.94Å; K2221-S2224 PolarHBondContact O-OG 2.97Å; K2221-S2224 VanDerWaalsContact O-OG 3.11Å; K2221-A2225 VanDerWaalsContact O-CB 3.3Å; K2221-A2225 WeakPolarHBondContact O-CB 3.3Å; K2221-A2225 PolarHBondContact O-N 3.49Å
2222I81Confident76.6Confident6 Ų664 Ų643%0.03136%0.36CS..Hα-helixtrans-64.3-40.9173.4-63.4168.3000109.7L2176 F2184 I2212 I2218 R2219 A2225 L2226 I2234L2176-I2222 HydrophobicContact CD1-CG2 3.69Å; F2184-I2222 HydrophobicContact CE2-CD1 4.16Å; F2184-I2222 HydrophobicContact CZ-CD1 4.2Å; I2212-I2222 HydrophobicContact CG2-CD1 3.77Å; I2218-I2222 HydrophobicContact CG2-CD1 4.08Å; I2218-I2222 WeakPolarHBondContact O-CG1 3.15Å; I2218-I2222 PolarHBondContact O-N 3.45Å; R2219-I2222 PolarHBondContact O-N 2.85Å; I2222-A2225 PolarHBondContact O-N 2.05Å; I2222-L2226 HydrophobicContact CG2-CD1 3.74Å; I2222-L2226 HydrophobicContact CG2-CG 4.18Å; I2222-L2226 VanDerWaalsContact O-CB 3.29Å; I2222-L2226 WeakPolarHBondContact O-CB 3.46Å; I2222-L2226 WeakPolarHBondContact O-CG 3.33Å; I2222-L2226 PolarHBondContact O-N 3.42Å; I2222-I2234 HydrophobicContact CG1-CG1 4.31Å; I2222-I2234 HydrophobicContact CG1-CG2 4.2Å; I2222-I2234 HydrophobicContact CG2-CD1 4.14Å
2223Q82.4Confident76.6Confident38 Ų3866.5 Ų66.518%0.17838%0.377CS..Hα-helixtrans-64.2-40.9176.5-72.7168.320.500113.1I2173 L2176 R2219 A2220 K2221 L2226 R2227I2173-Q2223 HydrophobicContact CG2-CG 4.48Å; L2176-Q2223 HydrophobicContact CB-CG 4.39Å; R2219-Q2223 WeakPolarHBondContact O-CB 3.39Å; R2219-Q2223 WeakPolarHBondContact O-CG 3.31Å; R2219-Q2223 PolarHBondContact O-N 3.12Å; A2220-Q2223 PolarHBondContact O-N 2.85Å; K2221-Q2223 VanDerWaalsContact C-N 3.32Å; Q2223-L2226 PolarHBondContact O-N 3.42Å; Q2223-R2227 WeakPolarHBondContact O-CB 3.42Å; Q2223-R2227 VanDerWaalsContact O-CG 3.25Å; Q2223-R2227 WeakPolarHBondContact O-CG 3.32Å; Q2223-R2227 PolarHBondContact O-N 3.08Å
2224S83.5Confident77.1Confident17 Ų1764 Ų6412%0.11936%0.359CS..Hα-helixtrans-70.3-4017659.60000112.2A2220 K2221 L2226 R2227 G2228 D2229 H2232A2220-S2224 PolarHBondContact O-N 3.32Å; A2220-S2224 PolarHBondContact O-OG 2.89Å; K2221-S2224 PolarHBondContact O-N 2.94Å; K2221-S2224 PolarHBondContact O-OG 2.97Å; K2221-S2224 VanDerWaalsContact O-OG 3.11Å; S2224-L2226 PolarHBondContact O-N 2.74Å; S2224-R2227 PolarHBondContact O-N 2.86Å; S2224-G2228 PolarHBondContact O-N 3Å; S2224-D2229 WeakPolarHBondContact CB-OD2 3.46Å; S2224-D2229 PolarHBondContact O-N 2.94Å; S2224-D2229 VanDerWaalsContact O-N 3.11Å; S2224-H2232 PolarHBondContact OG-CD2 3.16Å; S2224-H2232 VanDerWaalsContact OG-CD2 3.22Å
2225A82.4Confident77.8Confident4 Ų463.1 Ų63.13%0.03336%0.355CS..Hα-helixtrans-57.3-47.117000000111.8K2221 I2222 R2227 G2228 H2232 I2234 L2292K2221-A2225 VanDerWaalsContact O-CB 3.3Å; K2221-A2225 WeakPolarHBondContact O-CB 3.3Å; K2221-A2225 PolarHBondContact O-N 3.49Å; I2222-A2225 PolarHBondContact O-N 2.05Å; A2225-R2227 VanDerWaalsContact C-N 3.33Å; A2225-R2227 PolarHBondContact O-N 2.67Å; A2225-G2228 PolarHBondContact O-N 3.19Å; A2225-G2228 VanDerWaalsContact O-N 3.1Å; A2225-H2232 HydrophobicContact CB-CB 4.33Å; A2225-H2232 VanDerWaalsContact CB-O 3.25Å; A2225-H2232 WeakPolarHBondContact CB-O 3.41Å; A2225-I2234 HydrophobicContact CB-CD1 3.94Å; A2225-I2234 HydrophobicContact CB-CG1 3.61Å; A2225-L2292 VanDerWaalsContact O-CD2 3.32Å; A2225-L2292 WeakPolarHBondContact O-CD2 3.45Å
2226L81.9Confident78.2Confident0 Ų059.7 Ų59.70%034%0.336CS..Hα-helixtrans-68-27.7177.1-70.7171.6000113.4W2162 R2169 M2172 I2173 L2176 I2222 Q2223 S2224 G2228 W2303W2162-L2226 HydrophobicContact CH2-CD2 3.5Å; W2162-L2226 VanDerWaalsContact CH2-CD2 3.5Å; W2162-L2226 HydrophobicContact CZ2-CD2 4.05Å; W2162-L2226 HydrophobicContact CZ3-CD2 4.34Å; R2169-L2226 VanDerWaalsContact CZ-O 3.23Å; R2169-L2226 PolarHBondContact NE-O 3.45Å; R2169-L2226 PolarHBondContact NH2-O 3.38Å; M2172-L2226 HydrophobicContact CG-CD1 4.03Å; M2172-L2226 HydrophobicContact SD-CD1 3.71Å; M2172-L2226 HydrophobicContact SD-CD2 3.58Å; M2172-L2226 VanDerWaalsContact SD-CD2 3.58Å; M2172-L2226 HydrophobicContact SD-CG 4.33Å; I2173-L2226 HydrophobicContact CD1-CB 4.31Å; I2173-L2226 HydrophobicContact CG1-CB 4.08Å; I2173-L2226 HydrophobicContact CG1-CD1 4.29Å; L2176-L2226 HydrophobicContact CD1-CD1 3.3Å; I2222-L2226 HydrophobicContact CG2-CD1 3.74Å; I2222-L2226 HydrophobicContact CG2-CG 4.18Å; I2222-L2226 VanDerWaalsContact O-CB 3.29Å; I2222-L2226 WeakPolarHBondContact O-CB 3.46Å; I2222-L2226 WeakPolarHBondContact O-CG 3.33Å; I2222-L2226 PolarHBondContact O-N 3.42Å; Q2223-L2226 PolarHBondContact O-N 3.42Å; S2224-L2226 PolarHBondContact O-N 2.74Å; L2226-G2228 VanDerWaalsContact C-N 3.33Å; L2226-W2303 HydrophobicContact CD2-CH2 4.22Å; L2226-W2303 HydrophobicContact CD2-CZ2 3.97Å
2227R81.1Confident78.5Confident153 Ų15355.5 Ų55.558%0.57732%0.321SS*.Hα-helixtrans-72.9-27.8170.5-77.4172.4-177.4-174.42.7112.2R2169 I2173 Q2223 S2224 A2225R2169-R2227 PolarHBondContact NH2-O 2.93Å; I2173-R2227 HydrophobicContact CD1-CG 4.29Å; Q2223-R2227 WeakPolarHBondContact O-CB 3.42Å; Q2223-R2227 VanDerWaalsContact O-CG 3.25Å; Q2223-R2227 WeakPolarHBondContact O-CG 3.32Å; Q2223-R2227 PolarHBondContact O-N 3.08Å; S2224-R2227 PolarHBondContact O-N 2.86Å; A2225-R2227 VanDerWaalsContact C-N 3.33Å; A2225-R2227 PolarHBondContact O-N 2.67Å
2228G71.5Confident78.8Confident19 Ų1953.9 Ų53.920%0.19631%0.307CS..THydrogen-bonded Turntrans97.926176.700000114S2224 A2225 L2226 P2230S2224-G2228 PolarHBondContact O-N 3Å; A2225-G2228 PolarHBondContact O-N 3.19Å; A2225-G2228 VanDerWaalsContact O-N 3.1Å; L2226-G2228 VanDerWaalsContact C-N 3.33Å; G2228-P2230 WeakPolarHBondContact O-CD 3.49Å
2229D73.4Confident79.2Confident79 Ų7950.5 Ų50.542%0.42229%0.29SS..  trans-71113.2174.4-65.2-43000109.5S2224 G2231 H2232S2224-D2229 WeakPolarHBondContact CB-OD2 3.46Å; S2224-D2229 PolarHBondContact O-N 2.94Å; S2224-D2229 VanDerWaalsContact O-N 3.11Å; D2229-G2231 PolarHBondContact O-N 2.98Å; D2229-H2232 PolarHBondContact O-ND1 3.42Å
2230P68.3Low79.6Confident130 Ų13050.2 Ų50.284%0.84429%0.289SS*.THydrogen-bonded Turntrans-61132.7-176.825-33.6000110.9G2228G2228-P2230 WeakPolarHBondContact O-CD 3.49Å
2231G69.1Low79.9Confident72 Ų7248 Ų4874%0.74227%0.27SS*.THydrogen-bonded Turntrans105.94.9-18000000116.3D2229 P2233D2229-G2231 PolarHBondContact O-N 2.98Å; G2231-P2233 VanDerWaalsContact O-CD 3.25Å; G2231-P2233 WeakPolarHBondContact O-CD 3.47Å
2232H78.6Confident80.1Confident79 Ų7942.2 Ų42.237%0.36625%0.247SC..  trans-111.188.8178-64.193000112.7S2224 A2225 D2229S2224-H2232 PolarHBondContact OG-CD2 3.16Å; S2224-H2232 VanDerWaalsContact OG-CD2 3.22Å; A2225-H2232 HydrophobicContact CB-CB 4.33Å; A2225-H2232 VanDerWaalsContact CB-O 3.25Å; A2225-H2232 WeakPolarHBondContact CB-O 3.41Å; D2229-H2232 PolarHBondContact O-ND1 3.42Å
2233P78.6Confident80.5Confident62 Ų6242.1 Ų42.140%0.40325%0.246SC..  trans-69.6141.8172.527.1-33.9000112.1G2231 N2291G2231-P2233 VanDerWaalsContact O-CD 3.25Å; G2231-P2233 WeakPolarHBondContact O-CD 3.47Å; P2233-N2291 WeakPolarHBondContact CA-OD1 3.18Å; P2233-N2291 WeakPolarHBondContact CB-OD1 3.18Å
2234I83.6Confident80.9Confident3 Ų340.4 Ų40.42%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-87.6111.3166.4-60.5175.6000108.2F2184 I2222 A2225 I2236 T2289 L2290 W2303F2184-I2234 HydrophobicContact CE1-CG2 4.47Å; F2184-I2234 HydrophobicContact CE2-CG2 4.34Å; F2184-I2234 HydrophobicContact CZ-CG2 3.73Å; I2222-I2234 HydrophobicContact CG1-CG1 4.31Å; I2222-I2234 HydrophobicContact CG1-CG2 4.2Å; I2222-I2234 HydrophobicContact CG2-CD1 4.14Å; A2225-I2234 HydrophobicContact CB-CD1 3.94Å; A2225-I2234 HydrophobicContact CB-CG1 3.61Å; I2234-I2236 HydrophobicContact CG2-CG1 4.03Å; I2234-T2289 CarbonylContact O-C 3.53Å; I2234-T2289 WeakPolarHBondContact O-CA 3.47Å; I2234-L2290 HydrophobicContact CB-CB 4.2Å; I2234-L2290 PolarHBondContact N-O 2.65Å; I2234-L2290 PolarHBondContact O-N 3.39Å; I2234-W2303 HydrophobicContact CD1-CH2 3.61Å; I2234-W2303 HydrophobicContact CD1-CZ3 3.69Å; I2234-W2303 HydrophobicContact CG1-CZ3 4.35Å
2235L84.3Confident81.2Confident98 Ų9841.2 Ų41.251%0.51324%0.24SC..EExtended strand (participates in β ladder)trans-92.3118.9172.6-179.468.7000109.8P2237 T2289L2235-P2237 WeakPolarHBondContact O-CD 3.35Å; L2235-T2289 HydrophobicContact CD1-CG2 3.5Å
2236I82.8Confident81.4Confident2 Ų241.1 Ų41.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-108.991.6173.1-45.2176.6000107.9I2081 F2184 V2210 I2234 S2239 L2288 L2290I2081-I2236 HydrophobicContact CG2-CD1 4.11Å; F2184-I2236 HydrophobicContact CB-CD1 4.31Å; F2184-I2236 HydrophobicContact CB-CG2 4.32Å; F2184-I2236 HydrophobicContact CD1-CD1 3.61Å; F2184-I2236 HydrophobicContact CD1-CG1 4.45Å; F2184-I2236 HydrophobicContact CD2-CD1 3.96Å; F2184-I2236 HydrophobicContact CD2-CG1 3.99Å; F2184-I2236 HydrophobicContact CD2-CG2 3.97Å; F2184-I2236 HydrophobicContact CE1-CD1 3.78Å; F2184-I2236 HydrophobicContact CE1-CG1 4.38Å; F2184-I2236 HydrophobicContact CE2-CD1 4.12Å; F2184-I2236 HydrophobicContact CE2-CG1 3.91Å; F2184-I2236 HydrophobicContact CG-CD1 3.71Å; F2184-I2236 HydrophobicContact CG-CG1 4.27Å; F2184-I2236 HydrophobicContact CG-CG2 4.28Å; F2184-I2236 HydrophobicContact CZ-CD1 4.05Å; F2184-I2236 HydrophobicContact CZ-CG1 4.14Å; V2210-I2236 HydrophobicContact CB-CG2 4.35Å; V2210-I2236 HydrophobicContact CG1-CG2 4.01Å; I2234-I2236 HydrophobicContact CG2-CG1 4.03Å; I2236-S2239 PolarHBondContact O-OG 2.97Å; I2236-L2288 HydrophobicContact CB-CB 4.35Å; I2236-L2288 PolarHBondContact N-O 3.49Å; I2236-L2288 PolarHBondContact O-N 3.08Å; I2236-L2290 HydrophobicContact CD1-CD1 3.74Å; I2236-L2290 HydrophobicContact CD1-CG 4.46Å
2237P80.1Confident81.4Confident69 Ų6941.8 Ų41.845%0.44824%0.243SC..EExtended strand (participates in β ladder)trans-64.6148.3-178.427.8-34.8000111.9L2235 S2239L2235-P2237 WeakPolarHBondContact O-CD 3.35Å; P2237-S2239 PolarHBondContact O-N 2.89Å
2238Q80.6Confident81Confident50 Ų5036.4 Ų36.423%0.23423%0.226CC..EExtended strand (participates in β ladder)trans51.748.3168.9-61.9175.6-28.600114.6F2285Q2238-F2285 HydrophobicContact CB-CB 4.37Å
2239S82.2Confident80.9Confident0 Ų041.4 Ų41.40%024%0.244CC..EExtended strand (participates in β ladder)trans-112.8-20.9-163.648.70000115.7I2236 P2237 D2286 L2288I2236-S2239 PolarHBondContact O-OG 2.97Å; P2237-S2239 PolarHBondContact O-N 2.89Å; S2239-D2286 PolarHBondContact N-O 3.42Å; S2239-D2286 PolarHBondContact OG-O 3.21Å; S2239-L2288 WeakPolarHBondContact OG-CB 3.16Å; S2239-L2288 WeakPolarHBondContact OG-CD1 3.24Å; S2239-L2288 WeakPolarHBondContact OG-CG 3.44Å; S2239-L2288 PolarHBondContact OG-N 3.47Å
2240I86.7Confident81Confident1 Ų140 Ų401%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-135.5129.6176.3-167.2172.6000112L2079 F2285 D2286 L2288 V2334L2079-I2240 HydrophobicContact CD1-CD1 3.88Å; L2079-I2240 HydrophobicContact CD2-CD1 3.7Å; L2079-I2240 HydrophobicContact CG-CD1 4.49Å; I2240-F2285 CarbonylContact O-C 3.58Å; I2240-F2285 WeakPolarHBondContact O-CA 3.4Å; I2240-F2285 WeakPolarHBondContact O-CB 3.43Å; I2240-D2286 HydrophobicContact CG2-CB 3.84Å; I2240-D2286 PolarHBondContact N-O 3.35Å; I2240-D2286 PolarHBondContact O-N 3.42Å; I2240-L2288 HydrophobicContact CB-CD1 4.23Å; I2240-L2288 HydrophobicContact CG2-CD1 4.16Å; I2240-L2288 HydrophobicContact CG2-CD2 4Å; I2240-L2288 HydrophobicContact CG2-CG 3.94Å; I2240-V2334 HydrophobicContact CD1-CG2 3.84Å; I2240-V2334 HydrophobicContact CG1-CG2 4.26Å
2241P87.1Confident81.6Confident0 Ų039.3 Ų39.30%023%0.233CC..  trans-77.7129.417727.5-31.2000112.2W2208 F2243 I2244 L2254 W2284 F2285W2208-P2241 HydrophobicContact CH2-CG 3.66Å; W2208-P2241 HydrophobicContact CZ2-CG 3.5Å; W2208-P2241 VanDerWaalsContact CZ2-CG 3.5Å; W2208-P2241 HydrophobicContact CZ3-CG 4.3Å; P2241-F2243 VanDerWaalsContact C-N 3.28Å; P2241-F2243 PolarHBondContact O-N 2.88Å; P2241-I2244 HydrophobicContact CB-CG1 4.31Å; P2241-I2244 HydrophobicContact CG-CD1 3.87Å; P2241-I2244 HydrophobicContact CG-CG1 3.91Å; P2241-L2254 HydrophobicContact CB-CD2 3.72Å; P2241-L2254 HydrophobicContact CG-CD2 3.87Å; P2241-W2284 HydrophobicContact CB-CH2 4.05Å; P2241-W2284 HydrophobicContact CB-CZ3 4.33Å; P2241-F2285 HydrophobicContact CB-CD1 3.84Å; P2241-F2285 HydrophobicContact CB-CD2 4.47Å; P2241-F2285 HydrophobicContact CB-CE1 3.71Å; P2241-F2285 HydrophobicContact CB-CE2 4.32Å; P2241-F2285 HydrophobicContact CB-CG 4.24Å; P2241-F2285 HydrophobicContact CB-CZ 3.96Å; P2241-F2285 HydrophobicContact CG-CE1 4.49Å; P2241-F2285 HydrophobicContact CG-CE2 4.35Å; P2241-F2285 HydrophobicContact CG-CZ 4.26Å
2242A82.5Confident82.4Confident5 Ų536.3 Ų36.34%0.04120%0.2CC..SBendtrans-69.4-21.7176.700000114.2W2318 V2335A2242-W2318 HydrophobicContact CB-CE3 4.29Å; A2242-W2318 HydrophobicContact CB-CZ3 3.82Å; A2242-V2335 WeakPolarHBondContact O-CB 3.38Å; A2242-V2335 PolarHBondContact O-N 3.24Å
2243F89.2Confident82.8Confident4 Ų435.2 Ų35.22%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-129.2131.3-178.8-63.6-74.6000110.9L2115 P2241 P2255 I2258 I2262 W2284 W2318 V2335 F2337L2115-F2243 HydrophobicContact CD1-CE1 4.38Å; L2115-F2243 HydrophobicContact CD1-CZ 4.07Å; L2115-F2243 HydrophobicContact CD2-CE1 4.25Å; P2241-F2243 VanDerWaalsContact C-N 3.28Å; P2241-F2243 PolarHBondContact O-N 2.88Å; F2243-P2255 HydrophobicContact CB-CG 3.74Å; F2243-P2255 WeakPolarHBondContact O-CD 3.37Å; F2243-I2258 HydrophobicContact CD2-CG2 4.06Å; F2243-I2258 HydrophobicContact CE2-CG2 4.28Å; F2243-I2258 HydrophobicContact CG-CG2 4.44Å; F2243-I2262 HydrophobicContact CD2-CD1 4.07Å; F2243-I2262 HydrophobicContact CE2-CD1 4.04Å; F2243-W2284 HydrophobicContact CB-CH2 4.17Å; F2243-W2284 HydrophobicContact CB-CZ3 3.86Å; F2243-W2284 HydrophobicContact CD2-CE3 4.48Å; F2243-W2284 AromaticContact CD2-CZ3 3.98Å; F2243-W2284 HydrophobicContact CD2-CZ3 3.98Å; F2243-W2284 HydrophobicContact CG-CZ3 4.43Å; F2243-W2284 VanDerWaalsContact O-CH2 3.32Å; F2243-W2284 WeakPolarHBondContact O-CH2 3.47Å; F2243-W2318 HydrophobicContact CD2-CZ3 4.3Å; F2243-W2318 HydrophobicContact CE2-CE3 4.04Å; F2243-W2318 AromaticContact CE2-CZ3 3.77Å; F2243-W2318 HydrophobicContact CE2-CZ3 3.77Å; F2243-V2335 CarbonylContact C-O 3.54Å; F2243-V2335 WeakPolarHBondContact CA-O 3.19Å; F2243-V2335 HydrophobicContact CD1-CB 3.77Å; F2243-V2335 HydrophobicContact CD1-CG1 4.07Å; F2243-V2335 HydrophobicContact CD1-CG2 4.26Å; F2243-V2335 HydrophobicContact CE1-CB 4.14Å; F2243-V2335 HydrophobicContact CE1-CG1 4.32Å; F2243-V2335 HydrophobicContact CE1-CG2 4.17Å; F2243-F2337 HydrophobicContact CB-CE2 4.19Å; F2243-F2337 AromaticContact CD1-CE2 3.9Å; F2243-F2337 HydrophobicContact CD1-CE2 3.9Å; F2243-F2337 HydrophobicContact CD1-CZ 4.2Å; F2243-F2337 HydrophobicContact CG-CE2 4.45Å
2244I90.7Very high83.1Confident1 Ų134.8 Ų34.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-140.5142-174.7-56.6-177.5000109.4L2188 F2190 W2208 P2241 L2252 V2334 V2335 G2336 F2337L2188-I2244 HydrophobicContact CD2-CD1 3.15Å; F2190-I2244 HydrophobicContact CE2-CG2 4.45Å; W2208-I2244 HydrophobicContact CH2-CD1 4.07Å; P2241-I2244 HydrophobicContact CB-CG1 4.31Å; P2241-I2244 HydrophobicContact CG-CD1 3.87Å; P2241-I2244 HydrophobicContact CG-CG1 3.91Å; I2244-L2252 HydrophobicContact CG2-CB 3.9Å; I2244-L2252 HydrophobicContact CG2-CD1 4.41Å; I2244-L2252 HydrophobicContact CG2-CD2 4.2Å; I2244-L2252 HydrophobicContact CG2-CG 4.4Å; I2244-V2334 HydrophobicContact CD1-CG1 3.54Å; I2244-V2334 HydrophobicContact CG1-CG1 3.95Å; I2244-V2335 PolarHBondContact N-O 2.91Å; I2244-G2336 CarbonylContact O-C 3.57Å; I2244-G2336 WeakPolarHBondContact O-CA 3.49Å; I2244-F2337 WeakPolarHBondContact O-CD2 3.39Å; I2244-F2337 PolarHBondContact O-N 3.01Å
2245Q89.7Confident83.2Confident34 Ų3434.7 Ų34.716%0.15919%0.193CC..EExtended strand (participates in β ladder)trans-101.9133.2168.4179.8-168.98.500109.8Y2140 Y2144 P2247 T2253 F2337 D2339Y2140-Q2245 WeakPolarHBondContact OH-CB 3.28Å; Y2140-Q2245 VanDerWaalsContact OH-CD 3.32Å; Y2140-Q2245 PolarHBondContact OH-OE1 2.99Å; Y2144-Q2245 PolarHBondContact OH-NE2 3.43Å; Y2144-Q2245 VanDerWaalsContact OH-NE2 3.14Å; Q2245-P2247 VanDerWaalsContact O-CD 3.32Å; Q2245-P2247 WeakPolarHBondContact O-CD 3.39Å; Q2245-T2253 WeakPolarHBondContact CB-OG1 3.36Å; Q2245-T2253 WeakPolarHBondContact CG-OG1 3.17Å; Q2245-T2253 PolarHBondContact N-O 2.89Å; Q2245-T2253 PolarHBondContact O-N 3.06Å; Q2245-T2253 PolarHBondContact O-OG1 3.14Å; Q2245-T2253 PolarHBondContact OE1-OG1 3.44Å; Q2245-F2337 CarbonylContact C-O 3.57Å; Q2245-F2337 WeakPolarHBondContact CA-O 3.49Å; Q2245-F2337 HydrophobicContact CB-CB 4.48Å; Q2245-D2339 PolarHBondContact NE2-OD1 3.27Å; Q2245-D2339 PolarHBondContact NE2-OD2 3.12Å
2246V87.1Confident83.1Confident2 Ų234.7 Ų34.71%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-104.396.3174.3-163.70000107F2190 R2192 H2204 L2252 F2337 I2338 D2339F2190-V2246 HydrophobicContact CB-CG1 4.45Å; F2190-V2246 HydrophobicContact CD1-CG2 4.08Å; F2190-V2246 HydrophobicContact CD2-CG2 4.31Å; F2190-V2246 HydrophobicContact CE1-CG2 4.12Å; F2190-V2246 HydrophobicContact CE2-CG2 4.32Å; F2190-V2246 HydrophobicContact CG-CG2 4.18Å; F2190-V2246 HydrophobicContact CZ-CG2 4.24Å; R2192-V2246 PolarHBondContact NH2-O 3.29Å; H2204-V2246 HydrophobicContact CB-CG1 4.09Å; V2246-L2252 HydrophobicContact CB-CD2 4.29Å; V2246-L2252 HydrophobicContact CG1-CD2 3.98Å; V2246-L2252 HydrophobicContact CG2-CD2 3.99Å; V2246-F2337 PolarHBondContact N-O 3.29Å; V2246-I2338 HydrophobicContact CG2-CG1 4.49Å; V2246-D2339 PolarHBondContact O-N 2.88Å
2247P82.4Confident83.1Confident15 Ų1535.4 Ų35.410%0.09720%0.202CC..  trans-70.4164.8-179.930.2-35.7000111.6R2192 H2204 Q2245 Q2249 E2251 D2339R2192-P2247 PolarHBondContact NH2-O 2.99Å; H2204-P2247 PolarHBondContact CE1-O 3.5Å; H2204-P2247 PolarHBondContact NE2-O 3.49Å; Q2245-P2247 VanDerWaalsContact O-CD 3.32Å; Q2245-P2247 WeakPolarHBondContact O-CD 3.39Å; P2247-Q2249 VanDerWaalsContact C-N 3.28Å; P2247-Q2249 PolarHBondContact O-N 3.21Å; P2247-E2251 WeakPolarHBondContact CD-O 3.3Å; P2247-E2251 WeakPolarHBondContact CG-O 3.41Å; P2247-D2339 WeakPolarHBondContact CA-OD2 3.03Å
2248N71.9Confident83.2Confident39 Ų3932.1 Ų32.121%0.20918%0.181CC..SBendtrans-62.4-34174.7-73.1-26.2000113.3D2339 R2340 A2341N2248-D2339 VanDerWaalsContact OD1-C 3.29Å; N2248-D2339 PolarHBondContact OD1-O 2.85Å; N2248-R2340 PolarHBondContact ND2-O 2.9Å; N2248-R2340 PolarHBondContact OD1-O 2.83Å; N2248-A2341 PolarHBondContact OD1-N 3.02Å
2249Q70.2Confident83.2Confident125 Ų12529.8 Ų29.858%0.58417%0.17SC*.SBendtrans-145.7134.9-179.4-65.6-172.1-2700108.7N2199 P2247N2199-Q2249 PolarHBondContact O-NE2 3.07Å; P2247-Q2249 VanDerWaalsContact C-N 3.28Å; P2247-Q2249 PolarHBondContact O-N 3.21Å
2250G74.6Confident83.2Confident48 Ų4833.2 Ų33.250%0.49519%0.188SC..SBendtrans112-177-179.300000114.1H2204H2204-G2250 PolarHBondContact ND1-O 2.93Å
2251E82.3Confident82.9Confident117 Ų11733.2 Ų33.255%0.54719%0.188SC..SBendtrans-69.9165.3175.5-59.1179.4173.900112K2206 P2247 T2253K2206-E2251 HydrophobicContact CD-CB 4.44Å; K2206-E2251 IonicContact NZ-OE2 3.52Å; K2206-E2251 PolarHBondContact NZ-OE2 3.11Å; P2247-E2251 WeakPolarHBondContact CD-O 3.3Å; P2247-E2251 WeakPolarHBondContact CG-O 3.41Å; E2251-T2253 PolarHBondContact O-N 3.39Å
2252L85.5Confident82.5Confident9 Ų933.4 Ų33.45%0.04719%0.189CC..PPolyproline II helixtrans-61.6129.8172.2-57.7168.9000110.5L2188 F2190 H2204 K2206 I2244 V2246L2188-L2252 HydrophobicContact CB-CD1 4.49Å; L2188-L2252 HydrophobicContact CD2-CD1 4.31Å; L2188-L2252 HydrophobicContact CG-CD1 4.38Å; F2190-L2252 HydrophobicContact CB-CD2 4.41Å; F2190-L2252 HydrophobicContact CD2-CD1 3.71Å; F2190-L2252 HydrophobicContact CD2-CD2 3.5Å; F2190-L2252 HydrophobicContact CD2-CG 4.25Å; F2190-L2252 HydrophobicContact CE2-CD1 4.05Å; F2190-L2252 HydrophobicContact CE2-CD2 4.04Å; F2190-L2252 HydrophobicContact CG-CD2 4.22Å; H2204-L2252 HydrophobicContact CB-CD2 3.65Å; H2204-L2252 HydrophobicContact CB-CG 4.16Å; H2204-L2252 WeakPolarHBondContact O-CD1 3.27Å; H2204-L2252 WeakPolarHBondContact O-CG 3.44Å; K2206-L2252 HydrophobicContact CB-CB 4.02Å; K2206-L2252 HydrophobicContact CB-CD1 4.06Å; K2206-L2252 HydrophobicContact CB-CG 4.39Å; I2244-L2252 HydrophobicContact CG2-CB 3.9Å; I2244-L2252 HydrophobicContact CG2-CD1 4.41Å; I2244-L2252 HydrophobicContact CG2-CD2 4.2Å; I2244-L2252 HydrophobicContact CG2-CG 4.4Å; V2246-L2252 HydrophobicContact CB-CD2 4.29Å; V2246-L2252 HydrophobicContact CG1-CD2 3.98Å; V2246-L2252 HydrophobicContact CG2-CD2 3.99Å
2253T86.8Confident82.2Confident56 Ų5633.9 Ų33.934%0.34419%0.191SC..BIsolated β-bridgetrans-102.5155.6178.548.80000111.1Q2245 E2251Q2245-T2253 WeakPolarHBondContact CB-OG1 3.36Å; Q2245-T2253 WeakPolarHBondContact CG-OG1 3.17Å; Q2245-T2253 PolarHBondContact N-O 2.89Å; Q2245-T2253 PolarHBondContact O-N 3.06Å; Q2245-T2253 PolarHBondContact O-OG1 3.14Å; Q2245-T2253 PolarHBondContact OE1-OG1 3.44Å; E2251-T2253 PolarHBondContact O-N 3.39Å
2254L85.3Confident81.7Confident52 Ų5236.5 Ų36.527%0.27221%0.206SC..PPolyproline II helixtrans-96.9134175.3-64.7167.5000108.9P2241 T2256 W2284 F2285P2241-L2254 HydrophobicContact CB-CD2 3.72Å; P2241-L2254 HydrophobicContact CG-CD2 3.87Å; L2254-T2256 VanDerWaalsContact C-N 3.28Å; L2254-T2256 PolarHBondContact O-N 3.1Å; L2254-W2284 HydrophobicContact CB-CZ2 4.33Å; L2254-W2284 HydrophobicContact CD2-CH2 4.2Å; L2254-W2284 HydrophobicContact CD2-CZ2 4.1Å; L2254-F2285 HydrophobicContact CD1-CE1 4.17Å; L2254-F2285 HydrophobicContact CD1-CZ 3.82Å; L2254-F2285 HydrophobicContact CD2-CE1 4.21Å; L2254-F2285 HydrophobicContact CD2-CZ 4.12Å
2255P86Confident80.8Confident1 Ų136.9 Ų36.91%0.00621%0.207CC..  trans-72.682.5176.929.3-33.3000110.3Y2140 F2243 S2257 I2258 G2259 F2337Y2140-P2255 HydrophobicContact CE1-CB 3.74Å; F2243-P2255 HydrophobicContact CB-CG 3.74Å; F2243-P2255 WeakPolarHBondContact O-CD 3.37Å; P2255-S2257 PolarHBondContact O-N 3.41Å; P2255-S2257 VanDerWaalsContact O-N 3.16Å; P2255-I2258 HydrophobicContact CB-CB 4.32Å; P2255-I2258 HydrophobicContact CB-CD1 4.12Å; P2255-I2258 HydrophobicContact CB-CG1 4.35Å; P2255-I2258 HydrophobicContact CG-CB 4.45Å; P2255-I2258 HydrophobicContact CG-CD1 4.42Å; P2255-I2258 PolarHBondContact O-N 3.43Å; P2255-I2258 VanDerWaalsContact O-N 3.08Å; P2255-G2259 PolarHBondContact O-N 2.97Å; P2255-F2337 HydrophobicContact CG-CD2 4.43Å; P2255-F2337 HydrophobicContact CG-CE2 4.31Å
2256T81.4Confident79.6Confident99 Ų9935.5 Ų35.561%0.60720%0.203SC*.Hα-helixtrans-62.1-23.9-172.357.60000113.9L2254 N2260L2254-T2256 VanDerWaalsContact C-N 3.28Å; L2254-T2256 PolarHBondContact O-N 3.1Å; T2256-N2260 WeakPolarHBondContact O-CB 3.27Å; T2256-N2260 PolarHBondContact O-N 3Å; T2256-N2260 PolarHBondContact O-ND2 2.91Å
2257S82.4Confident78.4Confident16 Ų1642.5 Ų42.511%0.11224%0.24CC..Hα-helixtrans-58-60.116946.10000110.5S2137 P2255 G2259 N2260 T2261S2137-S2257 PolarHBondContact OG-O 3.17Å; P2255-S2257 PolarHBondContact O-N 3.41Å; P2255-S2257 VanDerWaalsContact O-N 3.16Å; S2257-G2259 PolarHBondContact O-N 3.42Å; S2257-N2260 PolarHBondContact O-N 3.21Å; S2257-T2261 PolarHBondContact O-N 2.91Å; S2257-T2261 VanDerWaalsContact O-N 3.07Å; S2257-T2261 PolarHBondContact O-OG1 2.75Å
2258I83.4Confident77.4Confident1 Ų144.8 Ų44.81%0.00526%0.255CS..Hα-helixtrans-59.1-49.6179.8-60.6177.5000110.1L2119 S2137 Y2140 F2243 P2255 N2260 T2261 I2262 F2337L2119-I2258 HydrophobicContact CD1-CG1 4.43Å; L2119-I2258 HydrophobicContact CD2-CG2 4.42Å; S2137-I2258 PolarHBondContact OG-N 3.41Å; Y2140-I2258 HydrophobicContact CD1-CD1 3.93Å; Y2140-I2258 HydrophobicContact CD1-CG1 4.3Å; Y2140-I2258 HydrophobicContact CE1-CD1 4.14Å; F2243-I2258 HydrophobicContact CD2-CG2 4.06Å; F2243-I2258 HydrophobicContact CE2-CG2 4.28Å; F2243-I2258 HydrophobicContact CG-CG2 4.44Å; P2255-I2258 HydrophobicContact CB-CB 4.32Å; P2255-I2258 HydrophobicContact CB-CD1 4.12Å; P2255-I2258 HydrophobicContact CB-CG1 4.35Å; P2255-I2258 HydrophobicContact CG-CB 4.45Å; P2255-I2258 HydrophobicContact CG-CD1 4.42Å; P2255-I2258 PolarHBondContact O-N 3.43Å; P2255-I2258 VanDerWaalsContact O-N 3.08Å; I2258-N2260 PolarHBondContact O-N 3.32Å; I2258-T2261 WeakPolarHBondContact O-CB 3.42Å; I2258-T2261 PolarHBondContact O-N 3.2Å; I2258-T2261 VanDerWaalsContact O-N 3.14Å; I2258-I2262 HydrophobicContact CG2-CD1 3.83Å; I2258-I2262 HydrophobicContact CG2-CG1 4.43Å; I2258-I2262 WeakPolarHBondContact O-CG1 3.42Å; I2258-I2262 PolarHBondContact O-N 3.48Å; I2258-F2337 HydrophobicContact CD1-CE2 3.87Å; I2258-F2337 HydrophobicContact CD1-CZ 3.66Å
2259G79.6Confident77Confident1 Ų149.9 Ų49.91%0.0127%0.271CS..Hα-helixtrans-57.1-45.7177.600000113.2P2255 S2257 T2261 I2262 I2263P2255-G2259 PolarHBondContact O-N 2.97Å; S2257-G2259 PolarHBondContact O-N 3.42Å; G2259-T2261 VanDerWaalsContact C-N 3.31Å; G2259-T2261 PolarHBondContact O-N 3.37Å; G2259-I2262 PolarHBondContact O-N 3.1Å; G2259-I2262 VanDerWaalsContact O-N 3.17Å; G2259-I2263 WeakPolarHBondContact O-CD1 3.08Å; G2259-I2263 VanDerWaalsContact O-CG1 3.25Å; G2259-I2263 WeakPolarHBondContact O-CG1 3.4Å; G2259-I2263 PolarHBondContact O-N 3.48Å
2260N81.6Confident77Confident71 Ų7145.4 Ų45.438%0.3825%0.251SS..Hα-helixtrans-64.6-34.2177.6-77.4-37.2000112.7R2133 T2256 S2257 I2258 N2264R2133-N2260 HydrophobicContact CG-CB 4.45Å; T2256-N2260 WeakPolarHBondContact O-CB 3.27Å; T2256-N2260 PolarHBondContact O-N 3Å; T2256-N2260 PolarHBondContact O-ND2 2.91Å; S2257-N2260 PolarHBondContact O-N 3.21Å; I2258-N2260 PolarHBondContact O-N 3.32Å; N2260-N2264 WeakPolarHBondContact O-CB 3.21Å; N2260-N2264 PolarHBondContact O-N 3.46Å; N2260-N2264 PolarHBondContact O-ND2 3.47Å
2261T81.4Confident76.8Confident1 Ų148.5 Ų48.51%0.00626%0.256CS..Hα-helixtrans-66.4-45.3171.5-60.40000111L2119 S2122 R2133 S2137 S2257 I2258 G2259 I2263 D2265 G2266L2119-T2261 HydrophobicContact CD2-CG2 4.14Å; S2122-T2261 WeakPolarHBondContact OG-CG2 3.5Å; R2133-T2261 PolarHBondContact O-OG1 3.14Å; S2137-T2261 PolarHBondContact OG-OG1 3.18Å; S2257-T2261 PolarHBondContact O-N 2.91Å; S2257-T2261 VanDerWaalsContact O-N 3.07Å; S2257-T2261 PolarHBondContact O-OG1 2.75Å; I2258-T2261 WeakPolarHBondContact O-CB 3.42Å; I2258-T2261 PolarHBondContact O-N 3.2Å; I2258-T2261 VanDerWaalsContact O-N 3.14Å; G2259-T2261 VanDerWaalsContact C-N 3.31Å; G2259-T2261 PolarHBondContact O-N 3.37Å; T2261-I2263 PolarHBondContact O-N 3.34Å; T2261-D2265 HydrophobicContact CG2-CB 4.16Å; T2261-D2265 CarbonylContact O-C 3.42Å; T2261-D2265 WeakPolarHBondContact O-CA 3.43Å; T2261-D2265 VanDerWaalsContact O-CB 3.28Å; T2261-D2265 WeakPolarHBondContact O-CB 3.35Å; T2261-D2265 PolarHBondContact O-N 3.4Å; T2261-G2266 PolarHBondContact O-N 3.01Å
2262I78.6Confident76.2Confident4 Ų444.4 Ų44.42%0.02124%0.239CC..Hα-helixtrans-59.1-50.4177.7-62.3160.7000111.2F2243 I2258 G2259 G2266 I2270 W2284 L2317 W2318F2243-I2262 HydrophobicContact CD2-CD1 4.07Å; F2243-I2262 HydrophobicContact CE2-CD1 4.04Å; I2258-I2262 HydrophobicContact CG2-CD1 3.83Å; I2258-I2262 HydrophobicContact CG2-CG1 4.43Å; I2258-I2262 WeakPolarHBondContact O-CG1 3.42Å; I2258-I2262 PolarHBondContact O-N 3.48Å; G2259-I2262 PolarHBondContact O-N 3.1Å; G2259-I2262 VanDerWaalsContact O-N 3.17Å; I2262-G2266 WeakPolarHBondContact O-CA 3.45Å; I2262-G2266 PolarHBondContact O-N 3.49Å; I2262-I2270 HydrophobicContact CG2-CD1 3.99Å; I2262-W2284 HydrophobicContact CB-CB 4.13Å; I2262-W2284 HydrophobicContact CD1-CD2 4.37Å; I2262-W2284 HydrophobicContact CD1-CE3 3.88Å; I2262-W2284 HydrophobicContact CG2-CB 3.65Å; I2262-L2317 HydrophobicContact CG1-CD2 3.86Å; I2262-L2317 HydrophobicContact CG1-CG 4.44Å; I2262-L2317 HydrophobicContact CG2-CD2 4.41Å; I2262-W2318 HydrophobicContact CD1-CH2 4.12Å; I2262-W2318 HydrophobicContact CD1-CZ3 4.3Å; I2262-W2318 HydrophobicContact CG2-CH2 4.09Å; I2262-W2318 HydrophobicContact CG2-CZ2 4.16Å
2263I77.4Confident75.3Confident15 Ų1549.4 Ų49.48%0.07727%0.27CS..Hα-helixtrans-61.8-51.3-176.4-63.8159.5000111.8G2259 T2261 T2272 E2280 A2283 W2284G2259-I2263 WeakPolarHBondContact O-CD1 3.08Å; G2259-I2263 VanDerWaalsContact O-CG1 3.25Å; G2259-I2263 WeakPolarHBondContact O-CG1 3.4Å; G2259-I2263 PolarHBondContact O-N 3.48Å; T2261-I2263 PolarHBondContact O-N 3.34Å; I2263-T2272 HydrophobicContact CG2-CG2 3.68Å; I2263-E2280 VanDerWaalsContact CD1-O 3.31Å; I2263-E2280 WeakPolarHBondContact CD1-O 3.03Å; I2263-A2283 HydrophobicContact CG1-CB 4.43Å; I2263-W2284 HydrophobicContact CG1-CB 4.29Å; I2263-W2284 HydrophobicContact CG1-CG 4.38Å
2264N77.1Confident74.5Confident60 Ų6051 Ų5132%0.32130%0.297SS..Hα-helixtrans-96-32.3-166-62.6-83.6000113.7N2260 R2269N2260-N2264 WeakPolarHBondContact O-CB 3.21Å; N2260-N2264 PolarHBondContact O-N 3.46Å; N2260-N2264 PolarHBondContact O-ND2 3.47Å; N2264-R2269 PolarHBondContact O-NE 3.42Å
2265D73.2Confident73.8Confident8 Ų851.2 Ų51.24%0.04330%0.297CS..Hα-helixtrans-113.1-20.4-169-50.6-50.3000112.3S2122 S2130 R2133 T2261S2122-D2265 WeakPolarHBondContact O-CB 3.42Å; S2122-D2265 VanDerWaalsContact O-O 3.1Å; S2130-D2265 WeakPolarHBondContact CA-OD1 3.49Å; S2130-D2265 WeakPolarHBondContact CB-OD1 3.27Å; S2130-D2265 PolarHBondContact OG-OD1 2.92Å; R2133-D2265 VanDerWaalsContact CB-OD2 3.28Å; R2133-D2265 WeakPolarHBondContact CB-OD2 3.41Å; R2133-D2265 WeakPolarHBondContact CD-OD2 3.44Å; R2133-D2265 IonicContact CZ-OD1 3.93Å; R2133-D2265 IonicContact CZ-OD2 2.78Å; R2133-D2265 IonicContact NE-OD1 2.67Å; R2133-D2265 PolarHBondContact NE-OD1 3.23Å; R2133-D2265 IonicContact NE-OD2 3.64Å; R2133-D2265 PolarHBondContact NE-OD2 3.23Å; R2133-D2265 IonicContact NH2-OD1 3.93Å; R2133-D2265 PolarHBondContact NH2-OD1 3.35Å; R2133-D2265 IonicContact NH2-OD2 2.71Å; T2261-D2265 HydrophobicContact CG2-CB 4.16Å; T2261-D2265 CarbonylContact O-C 3.42Å; T2261-D2265 WeakPolarHBondContact O-CA 3.43Å; T2261-D2265 VanDerWaalsContact O-CB 3.28Å; T2261-D2265 WeakPolarHBondContact O-CB 3.35Å; T2261-D2265 PolarHBondContact O-N 3.4Å
2266G63.6Low73.1Confident6 Ų657.8 Ų57.86%0.06233%0.328CS..SBendtrans-57153.6175.300000113.7T2261 I2262 P2268 R2269T2261-G2266 PolarHBondContact O-N 3.01Å; I2262-G2266 WeakPolarHBondContact O-CA 3.45Å; I2262-G2266 PolarHBondContact O-N 3.49Å; G2266-P2268 CarbonylContact C-O 3.41Å; G2266-P2268 CarbonylContact O-C 3.4Å; G2266-R2269 WeakPolarHBondContact O-CA 3.39Å; G2266-R2269 WeakPolarHBondContact O-CG 3.41Å; G2266-R2269 PolarHBondContact O-N 3.2Å
2267N62Low72.5Confident149 Ų14961.6 Ų61.680%0.79734%0.336SS*.SBendtrans-133.5112.6-178.5-155.117.5000108.7
2268P61.7Low71.8Confident62 Ų6263.5 Ų63.540%0.40335%0.349SS..SBendcis-66.31454.429.7-36.4000113.2G2266G2266-P2268 CarbonylContact C-O 3.41Å; G2266-P2268 CarbonylContact O-C 3.4Å
2269R62.7Low71.2Confident147 Ų14765.7 Ų65.756%0.55536%0.361SS*.PPolyproline II helixtrans-69131.5173-75.1-177.4174.7175.6-2.2109.8T2124 N2264 G2266 N2271T2124-R2269 PolarHBondContact OG1-NH2 3.24Å; N2264-R2269 PolarHBondContact O-NE 3.42Å; G2266-R2269 WeakPolarHBondContact O-CA 3.39Å; G2266-R2269 WeakPolarHBondContact O-CG 3.41Å; G2266-R2269 PolarHBondContact O-N 3.2Å; R2269-N2271 PolarHBondContact O-N 2.94Å
2270I71.1Confident71Confident30 Ų3069.3 Ų69.315%0.15438%0.378CS..PPolyproline II helixtrans-74.1124177.8-53.6-179.7000108.1I2262 T2272 A2283 W2284 P2310I2262-I2270 HydrophobicContact CG2-CD1 3.99Å; I2270-T2272 PolarHBondContact O-N 3.23Å; I2270-A2283 WeakPolarHBondContact CD1-O 3.41Å; I2270-A2283 HydrophobicContact CG2-CB 4.01Å; I2270-W2284 HydrophobicContact CD1-CB 4.09Å; I2270-P2310 HydrophobicContact CD1-CB 4.14Å; I2270-P2310 HydrophobicContact CD1-CG 4.06Å
2271N70Confident70.5Confident113 Ų11368.5 Ų68.560%0.60438%0.381SS*.  trans-79.291.4-175.3-171.919.1000111.1R2269 T2273R2269-N2271 PolarHBondContact O-N 2.94Å; N2271-T2273 PolarHBondContact ND2-OG1 3.26Å; N2271-T2273 PolarHBondContact O-N 3.41Å; N2271-T2273 PolarHBondContact OD1-N 3.01Å; N2271-T2273 PolarHBondContact OD1-OG1 3.42Å
2272T69.7Low70.3Confident31 Ų3171.2 Ų71.219%0.1939%0.391CS..  trans-80.12.2177.856.40000114.3I2263 I2270 G2274 M2275 A2283I2263-T2272 HydrophobicContact CG2-CG2 3.68Å; I2270-T2272 PolarHBondContact O-N 3.23Å; T2272-G2274 PolarHBondContact O-N 3.02Å; T2272-M2275 HydrophobicContact CG2-SD 4.24Å; T2272-M2275 PolarHBondContact O-N 3.43Å; T2272-M2275 VanDerWaalsContact O-N 3.09Å; T2272-A2283 HydrophobicContact CG2-CB 3.91Å
2273T67.4Low70.2Confident115 Ų11571 Ų7171%0.70639%0.39SS*.THydrogen-bonded Turntrans-65.3108.7-17756.40000111.5N2271N2271-T2273 PolarHBondContact ND2-OG1 3.26Å; N2271-T2273 PolarHBondContact O-N 3.41Å; N2271-T2273 PolarHBondContact OD1-N 3.01Å; N2271-T2273 PolarHBondContact OD1-OG1 3.42Å
2274G68Low70.5Confident88 Ų8870.7 Ų70.791%0.90739%0.388SS*.THydrogen-bonded Turntrans101.41.7-178.300000115.7T2272T2272-G2274 PolarHBondContact O-N 3.02Å
2275M71.3Confident71Confident57 Ų5768 Ų6828%0.28137%0.373SS..  trans-78.4146.2171.8-70.3179.8-174.600111.5T2272 D2279 E2280 A2283T2272-M2275 HydrophobicContact CG2-SD 4.24Å; T2272-M2275 PolarHBondContact O-N 3.43Å; T2272-M2275 VanDerWaalsContact O-N 3.09Å; M2275-D2279 HydrophobicContact CB-CB 4.06Å; M2275-D2279 HydrophobicContact CG-CB 4.38Å; M2275-E2280 HydrophobicContact CB-CG 4.05Å; M2275-A2283 HydrophobicContact SD-CB 3.95Å
2276E70.8Confident71.5Confident140 Ų14067.6 Ų67.665%0.65437%0.371SS*.  trans-70158.5165.1-97.8-164.9155.900110.6S2278 D2279 E2280E2276-S2278 PolarHBondContact O-N 3.15Å; E2276-S2278 VanDerWaalsContact O-N 3.07Å; E2276-D2279 CarbonylContact O-C 3.54Å; E2276-D2279 WeakPolarHBondContact O-CA 3.4Å; E2276-D2279 PolarHBondContact O-N 3.33Å; E2276-E2280 PolarHBondContact O-N 3.39Å
2277K69Low72.6Confident179 Ų17968.5 Ų68.578%0.77838%0.376SS*.Hα-helixtrans-56.1-27.7178.5-74.1-178.2176.2176.90114D2279K2277-D2279 VanDerWaalsContact C-N 3.33Å
2278S67.5Low73.8Confident55 Ų5561.4 Ų61.439%0.38534%0.338SS..Hα-helixtrans-70.8-30.8173.450.60000112.6E2276 R2282E2276-S2278 PolarHBondContact O-N 3.15Å; E2276-S2278 VanDerWaalsContact O-N 3.07Å; S2278-R2282 WeakPolarHBondContact O-CD 3.35Å; S2278-R2282 WeakPolarHBondContact O-CG 3.16Å
2279D71.2Confident75Confident48 Ų4859.8 Ų59.826%0.25733%0.328SS..Hα-helixtrans-90.1-32-178.3-56.6-31.3000111.5M2275 E2276 K2277 A2281 R2282 A2283M2275-D2279 HydrophobicContact CB-CB 4.06Å; M2275-D2279 HydrophobicContact CG-CB 4.38Å; E2276-D2279 CarbonylContact O-C 3.54Å; E2276-D2279 WeakPolarHBondContact O-CA 3.4Å; E2276-D2279 PolarHBondContact O-N 3.33Å; K2277-D2279 VanDerWaalsContact C-N 3.33Å; D2279-A2281 PolarHBondContact O-N 3.05Å; D2279-R2282 CarbonylContact O-C 3.59Å; D2279-R2282 WeakPolarHBondContact O-CA 3.27Å; D2279-R2282 WeakPolarHBondContact O-CB 3.34Å; D2279-R2282 PolarHBondContact O-N 2.95Å; D2279-R2282 IonicContact OD1-CZ 3.6Å; D2279-R2282 IonicContact OD1-NH1 2.87Å; D2279-R2282 PolarHBondContact OD1-NH1 3.08Å; D2279-A2283 PolarHBondContact O-N 3.37Å
2280E74.7Confident76.1Confident77 Ų7752.8 Ų52.836%0.3630%0.301SS..Hα-helixtrans-53-43.3167-69.9-172.9136.600111.2I2263 M2275 E2276 R2282 A2283I2263-E2280 VanDerWaalsContact CD1-O 3.31Å; I2263-E2280 WeakPolarHBondContact CD1-O 3.03Å; M2275-E2280 HydrophobicContact CB-CG 4.05Å; E2276-E2280 PolarHBondContact O-N 3.39Å; E2280-R2282 PolarHBondContact O-N 2.74Å; E2280-A2283 VanDerWaalsContact O-CB 3.31Å; E2280-A2283 WeakPolarHBondContact O-CB 3.26Å; E2280-A2283 PolarHBondContact O-N 3.29Å
2281A71.8Confident76.8Confident53 Ų5354.4 Ų54.444%0.43831%0.31SS..THydrogen-bonded Turntrans-68-20.6177.200000113.9D2279 W2284D2279-A2281 PolarHBondContact O-N 3.05Å; A2281-W2284 PolarHBondContact O-NE1 3.18Å
2282R76.6Confident77.5Confident59 Ų5950.7 Ų50.722%0.22329%0.29CS..THydrogen-bonded Turntrans-97.5-5.2176.6-62.7165.1177.8168.1-13112.9L2209 S2278 D2279 E2280 W2284 F2285L2209-R2282 PolarHBondContact O-NH2 3.09Å; S2278-R2282 WeakPolarHBondContact O-CD 3.35Å; S2278-R2282 WeakPolarHBondContact O-CG 3.16Å; D2279-R2282 CarbonylContact O-C 3.59Å; D2279-R2282 WeakPolarHBondContact O-CA 3.27Å; D2279-R2282 WeakPolarHBondContact O-CB 3.34Å; D2279-R2282 PolarHBondContact O-N 2.95Å; D2279-R2282 IonicContact OD1-CZ 3.6Å; D2279-R2282 IonicContact OD1-NH1 2.87Å; D2279-R2282 PolarHBondContact OD1-NH1 3.08Å; E2280-R2282 PolarHBondContact O-N 2.74Å; R2282-W2284 PolarHBondContact O-N 2.73Å; R2282-F2285 HydrophobicContact CB-CD2 4.09Å; R2282-F2285 HydrophobicContact CB-CE2 4.22Å; R2282-F2285 HydrophobicContact CB-CG 4.26Å; R2282-F2285 HydrophobicContact CB-CZ 4.47Å; R2282-F2285 HydrophobicContact CG-CD2 4.19Å; R2282-F2285 HydrophobicContact CG-CE2 3.86Å; R2282-F2285 HydrophobicContact CG-CZ 4.13Å; R2282-F2285 VanDerWaalsContact O-CB 3.23Å; R2282-F2285 WeakPolarHBondContact O-CB 3.02Å; R2282-F2285 WeakPolarHBondContact O-CG 3.46Å; R2282-F2285 PolarHBondContact O-N 3.45Å
2283A77.6Confident78Confident0 Ų053.1 Ų53.10%030%0.299CS..THydrogen-bonded Turntrans-61.3-24.6-168.100000114.2I2263 I2270 T2272 M2275 D2279 E2280I2263-A2283 HydrophobicContact CG1-CB 4.43Å; I2270-A2283 WeakPolarHBondContact CD1-O 3.41Å; I2270-A2283 HydrophobicContact CG2-CB 4.01Å; T2272-A2283 HydrophobicContact CG2-CB 3.91Å; M2275-A2283 HydrophobicContact SD-CB 3.95Å; D2279-A2283 PolarHBondContact O-N 3.37Å; E2280-A2283 VanDerWaalsContact O-CB 3.31Å; E2280-A2283 WeakPolarHBondContact O-CB 3.26Å; E2280-A2283 PolarHBondContact O-N 3.29Å
2284W83.4Confident78.3Confident7 Ų752.5 Ų52.53%0.02729%0.288CS..THydrogen-bonded Turntrans-95.78.3177.864.1-76.2000114P2241 F2243 L2254 I2262 I2263 I2270 A2281 R2282P2241-W2284 HydrophobicContact CB-CH2 4.05Å; P2241-W2284 HydrophobicContact CB-CZ3 4.33Å; F2243-W2284 HydrophobicContact CB-CH2 4.17Å; F2243-W2284 HydrophobicContact CB-CZ3 3.86Å; F2243-W2284 HydrophobicContact CD2-CE3 4.48Å; F2243-W2284 AromaticContact CD2-CZ3 3.98Å; F2243-W2284 HydrophobicContact CD2-CZ3 3.98Å; F2243-W2284 HydrophobicContact CG-CZ3 4.43Å; F2243-W2284 VanDerWaalsContact O-CH2 3.32Å; F2243-W2284 WeakPolarHBondContact O-CH2 3.47Å; L2254-W2284 HydrophobicContact CB-CZ2 4.33Å; L2254-W2284 HydrophobicContact CD2-CH2 4.2Å; L2254-W2284 HydrophobicContact CD2-CZ2 4.1Å; I2262-W2284 HydrophobicContact CB-CB 4.13Å; I2262-W2284 HydrophobicContact CD1-CD2 4.37Å; I2262-W2284 HydrophobicContact CD1-CE3 3.88Å; I2262-W2284 HydrophobicContact CG2-CB 3.65Å; I2263-W2284 HydrophobicContact CG1-CB 4.29Å; I2263-W2284 HydrophobicContact CG1-CG 4.38Å; I2270-W2284 HydrophobicContact CD1-CB 4.09Å; A2281-W2284 PolarHBondContact O-NE1 3.18Å; R2282-W2284 PolarHBondContact O-N 2.73Å
2285F87.1Confident78.4Confident3 Ų350.3 Ų50.31%0.01327%0.265CS..SBendtrans-78.8150.6174.8-7017.2000110.4W2208 Q2238 I2240 P2241 L2254 R2282W2208-F2285 AromaticContact CD1-CE2 3.9Å; W2208-F2285 HydrophobicContact CG-CE2 4.4Å; W2208-F2285 AromaticContact NE1-CE2 3.95Å; Q2238-F2285 HydrophobicContact CB-CB 4.37Å; I2240-F2285 CarbonylContact O-C 3.58Å; I2240-F2285 WeakPolarHBondContact O-CA 3.4Å; I2240-F2285 WeakPolarHBondContact O-CB 3.43Å; P2241-F2285 HydrophobicContact CB-CD1 3.84Å; P2241-F2285 HydrophobicContact CB-CD2 4.47Å; P2241-F2285 HydrophobicContact CB-CE1 3.71Å; P2241-F2285 HydrophobicContact CB-CE2 4.32Å; P2241-F2285 HydrophobicContact CB-CG 4.24Å; P2241-F2285 HydrophobicContact CB-CZ 3.96Å; P2241-F2285 HydrophobicContact CG-CE1 4.49Å; P2241-F2285 HydrophobicContact CG-CE2 4.35Å; P2241-F2285 HydrophobicContact CG-CZ 4.26Å; L2254-F2285 HydrophobicContact CD1-CE1 4.17Å; L2254-F2285 HydrophobicContact CD1-CZ 3.82Å; L2254-F2285 HydrophobicContact CD2-CE1 4.21Å; L2254-F2285 HydrophobicContact CD2-CZ 4.12Å; R2282-F2285 HydrophobicContact CB-CD2 4.09Å; R2282-F2285 HydrophobicContact CB-CE2 4.22Å; R2282-F2285 HydrophobicContact CB-CG 4.26Å; R2282-F2285 HydrophobicContact CB-CZ 4.47Å; R2282-F2285 HydrophobicContact CG-CD2 4.19Å; R2282-F2285 HydrophobicContact CG-CE2 3.86Å; R2282-F2285 HydrophobicContact CG-CZ 4.13Å; R2282-F2285 VanDerWaalsContact O-CB 3.23Å; R2282-F2285 WeakPolarHBondContact O-CB 3.02Å; R2282-F2285 WeakPolarHBondContact O-CG 3.46Å; R2282-F2285 PolarHBondContact O-N 3.45Å
2286D83.7Confident78.5Confident1 Ų158 Ų581%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-72.1150.3178-63.2-6.3000111S2239 I2240 E2308 H2309S2239-D2286 PolarHBondContact N-O 3.42Å; S2239-D2286 PolarHBondContact OG-O 3.21Å; I2240-D2286 HydrophobicContact CG2-CB 3.84Å; I2240-D2286 PolarHBondContact N-O 3.35Å; I2240-D2286 PolarHBondContact O-N 3.42Å; D2286-E2308 WeakPolarHBondContact CA-O 3.49Å; D2286-H2309 IonicContact OD1-CE1 3.16Å; D2286-H2309 IonicContact OD1-CG 2.69Å; D2286-H2309 IonicContact OD1-ND1 3.44Å; D2286-H2309 PolarHBondContact OD1-ND1 3.27Å; D2286-H2309 IonicContact OD2-CE1 3.64Å; D2286-H2309 PolarHBondContact OD2-CE1 3.41Å; D2286-H2309 IonicContact OD2-ND1 3.28Å; D2286-H2309 PolarHBondContact OD2-ND1 3.49Å
2287S86.3Confident78.2Confident24 Ų2453.5 Ų53.517%0.16828%0.282CS..EExtended strand (participates in β ladder)trans-90.3123.7171.2-59.70000109.3S2307 E2308S2287-S2307 CarbonylContact O-C 3.57Å; S2287-S2307 WeakPolarHBondContact O-CA 3.33Å; S2287-E2308 PolarHBondContact N-O 3.02Å; S2287-E2308 PolarHBondContact O-N 3.2Å
2288L87.4Confident78Confident0 Ų052.8 Ų52.80%028%0.281CS..EExtended strand (participates in β ladder)trans-87.3136.6176.5-72.4168.5000110I2081 V2186 I2236 S2239 I2240 L2332I2081-L2288 HydrophobicContact CD1-CD1 3.74Å; I2081-L2288 HydrophobicContact CD1-CD2 4.47Å; I2081-L2288 HydrophobicContact CG1-CD1 4.25Å; V2186-L2288 HydrophobicContact CG2-CD1 4.2Å; I2236-L2288 HydrophobicContact CB-CB 4.35Å; I2236-L2288 PolarHBondContact N-O 3.49Å; I2236-L2288 PolarHBondContact O-N 3.08Å; S2239-L2288 WeakPolarHBondContact OG-CB 3.16Å; S2239-L2288 WeakPolarHBondContact OG-CD1 3.24Å; S2239-L2288 WeakPolarHBondContact OG-CG 3.44Å; S2239-L2288 PolarHBondContact OG-N 3.47Å; I2240-L2288 HydrophobicContact CB-CD1 4.23Å; I2240-L2288 HydrophobicContact CG2-CD1 4.16Å; I2240-L2288 HydrophobicContact CG2-CD2 4Å; I2240-L2288 HydrophobicContact CG2-CG 3.94Å; L2288-L2332 HydrophobicContact CD2-CD1 3.8Å; L2288-L2332 HydrophobicContact CD2-CD2 4.05Å
2289T87.5Confident77.9Confident29 Ų2956.6 Ų56.618%0.17830%0.297CS..EExtended strand (participates in β ladder)trans-116.8122.4172.543.60000108.6I2234 L2235 A2305 T2306I2234-T2289 CarbonylContact O-C 3.53Å; I2234-T2289 WeakPolarHBondContact O-CA 3.47Å; L2235-T2289 HydrophobicContact CD1-CG2 3.5Å; T2289-A2305 WeakPolarHBondContact O-CA 3.36Å; T2289-T2306 PolarHBondContact N-O 3.48Å; T2289-T2306 PolarHBondContact O-N 2.82Å; T2289-T2306 PolarHBondContact OG1-O 3.38Å; T2289-T2306 PolarHBondContact OG1-OG1 3.47Å
2290L86.2Confident78Confident0 Ų057.8 Ų57.80%030%0.301CS..EExtended strand (participates in β ladder)trans-110.4122178.4-60170.7000110I2081 L2089 I2234 I2236 W2303 I2304 A2305I2081-L2290 HydrophobicContact CD1-CD2 4.2Å; I2081-L2290 HydrophobicContact CG2-CD1 4.12Å; L2089-L2290 HydrophobicContact CD1-CD1 3.81Å; I2234-L2290 HydrophobicContact CB-CB 4.2Å; I2234-L2290 PolarHBondContact N-O 2.65Å; I2234-L2290 PolarHBondContact O-N 3.39Å; I2236-L2290 HydrophobicContact CD1-CD1 3.74Å; I2236-L2290 HydrophobicContact CD1-CG 4.46Å; L2290-W2303 HydrophobicContact CB-CE3 3.89Å; L2290-W2303 HydrophobicContact CB-CZ3 4.27Å; L2290-I2304 CarbonylContact C-O 3.47Å; L2290-I2304 VanDerWaalsContact CA-O 3.3Å; L2290-I2304 WeakPolarHBondContact CA-O 3.32Å; L2290-A2305 HydrophobicContact CD2-CB 3.69Å
2291N86.2Confident78.1Confident64 Ų6455.2 Ų55.234%0.34229%0.289SS..EExtended strand (participates in β ladder)trans-110.4138.4173.3-78-43.1000110.5P2233 W2303 I2304P2233-N2291 WeakPolarHBondContact CA-OD1 3.18Å; P2233-N2291 WeakPolarHBondContact CB-OD1 3.18Å; N2291-W2303 CarbonylContact O-C 3.4Å; N2291-W2303 WeakPolarHBondContact O-CA 3.36Å; N2291-I2304 HydrophobicContact CB-CB 4.42Å; N2291-I2304 PolarHBondContact N-O 3.27Å; N2291-I2304 PolarHBondContact O-N 2.89Å
2292L84.7Confident78.7Confident35 Ų3554.5 Ų54.518%0.18328%0.277CS..EExtended strand (participates in β ladder)trans-96.8111.3175.3-179.462000110A2225 K2301 W2303A2225-L2292 VanDerWaalsContact O-CD2 3.32Å; A2225-L2292 WeakPolarHBondContact O-CD2 3.45Å; L2292-K2301 HydrophobicContact CD1-CB 4Å; L2292-K2301 HydrophobicContact CD1-CG 4.42Å; L2292-W2303 HydrophobicContact CB-CD2 4.36Å; L2292-W2303 HydrophobicContact CB-CE3 3.96Å; L2292-W2303 HydrophobicContact CB-CH2 3.96Å; L2292-W2303 HydrophobicContact CB-CZ2 4.33Å; L2292-W2303 HydrophobicContact CB-CZ3 3.76Å; L2292-W2303 HydrophobicContact CD1-CD2 4.1Å; L2292-W2303 HydrophobicContact CD1-CG 4.48Å; L2292-W2303 HydrophobicContact CD1-CZ2 4.13Å; L2292-W2303 HydrophobicContact CD2-CH2 4.4Å; L2292-W2303 HydrophobicContact CD2-CZ2 4.31Å; L2292-W2303 HydrophobicContact CG-CZ2 4.5Å
2293E79.1Confident79.2Confident82 Ų8251.8 Ų51.838%0.38327%0.266SS..EExtended strand (participates in β ladder)trans-94.4135.6166-85.2-178.7-177.400110M2302 I2304 R2329E2293-M2302 HydrophobicContact CB-CG 3.9Å; E2293-M2302 PolarHBondContact N-O 3.06Å; E2293-M2302 PolarHBondContact O-N 3.17Å; E2293-I2304 HydrophobicContact CB-CD1 4.06Å; E2293-I2304 HydrophobicContact CG-CD1 3.66Å; E2293-I2304 VanDerWaalsContact OE2-CD1 3.31Å; E2293-I2304 WeakPolarHBondContact OE2-CD1 3.4Å; E2293-R2329 IonicContact OE1-CZ 3.87Å; E2293-R2329 IonicContact OE1-NH2 2.62Å; E2293-R2329 PolarHBondContact OE1-NH2 2.97Å; E2293-R2329 IonicContact OE2-CZ 2.79Å; E2293-R2329 IonicContact OE2-NH1 3.3Å; E2293-R2329 IonicContact OE2-NH2 2.63Å; E2293-R2329 PolarHBondContact OE2-NH2 3.21Å
2294Q74.2Confident79.7Confident102 Ų10252.1 Ų52.148%0.47727%0.268SS..EExtended strand (participates in β ladder)trans-103.7127.6174.3-65-174.919.100109.1E2300Q2294-E2300 WeakPolarHBondContact CA-O 3.45Å
2295G70Confident79.9Confident41 Ų4151.8 Ų51.842%0.42327%0.267SS..  trans-73.1-165.2173.100000112.6S2297 E2300G2295-S2297 VanDerWaalsContact C-N 3.3Å; G2295-E2300 PolarHBondContact N-O 3.02Å
2296K72.7Confident79.9Confident218 Ų21853 Ų5395%0.94828%0.275SS*.SBendtrans-74.3-26.6-179.5-68.8178.6-179.5174.10111.6E2300K2296-E2300 PolarHBondContact N-OE2 2.97Å
2297S64.4Low79.9Confident47 Ų4754.5 Ų54.533%0.32929%0.285SS..SBendtrans-94143.2174.1-175.20000111.6G2295 N2299 E2300G2295-S2297 VanDerWaalsContact C-N 3.3Å; S2297-N2299 PolarHBondContact O-N 2.69Å; S2297-N2299 PolarHBondContact OG-N 3.22Å; S2297-E2300 VanDerWaalsContact CB-OE1 3.29Å; S2297-E2300 WeakPolarHBondContact CB-OE1 3.31Å; S2297-E2300 PolarHBondContact N-OE2 3.08Å; S2297-E2300 PolarHBondContact O-N 2.83Å
2298Q65.2Low79.7Confident163 Ų16357.9 Ų57.976%0.76230%0.298SS*.THydrogen-bonded Turntrans-59.3-15.9172.9-68.3-172.6-6.600113.6K2301Q2298-K2301 WeakPolarHBondContact O-CE 3.46Å; Q2298-K2301 PolarHBondContact O-NZ 3.49Å
2299N65.9Low79.4Confident135 Ų13559.2 Ų59.272%0.72231%0.305SS*.THydrogen-bonded Turntrans-92.8-15.8177.6-63.9-13.2000113.1S2297 K2301S2297-N2299 PolarHBondContact O-N 2.69Å; S2297-N2299 PolarHBondContact OG-N 3.22Å; N2299-K2301 PolarHBondContact O-N 2.83Å; N2299-K2301 VanDerWaalsContact O-N 3.14Å
2300E72.6Confident78.8Confident74 Ų7459.1 Ų59.135%0.34631%0.305SS..  trans-83.587.1178.3-73.1156.5-160.600109.3Q2294 G2295 K2296 S2297Q2294-E2300 WeakPolarHBondContact CA-O 3.45Å; G2295-E2300 PolarHBondContact N-O 3.02Å; K2296-E2300 PolarHBondContact N-OE2 2.97Å; S2297-E2300 VanDerWaalsContact CB-OE1 3.29Å; S2297-E2300 WeakPolarHBondContact CB-OE1 3.31Å; S2297-E2300 PolarHBondContact N-OE2 3.08Å; S2297-E2300 PolarHBondContact O-N 2.83Å
2301K78.1Confident78.1Confident22 Ų2261.4 Ų61.410%0.09633%0.328CS..EExtended strand (participates in β ladder)trans-115.5115.4177.1-74179.8-170.91060109.2W2162 L2292 Q2298 N2299W2162-K2301 HydrophobicContact CB-CB 4.46Å; W2162-K2301 HydrophobicContact CE3-CB 4.38Å; W2162-K2301 HydrophobicContact CE3-CD 4.27Å; W2162-K2301 PolarHBondContact N-O 3.11Å; L2292-K2301 HydrophobicContact CD1-CB 4Å; L2292-K2301 HydrophobicContact CD1-CG 4.42Å; Q2298-K2301 WeakPolarHBondContact O-CE 3.46Å; Q2298-K2301 PolarHBondContact O-NZ 3.49Å; N2299-K2301 PolarHBondContact O-N 2.83Å; N2299-K2301 VanDerWaalsContact O-N 3.14Å
2302M84.6Confident77.2Confident39 Ų3962.3 Ų62.319%0.19233%0.333CS..EExtended strand (participates in β ladder)trans-118.8135.917863.4-173.3-67.900110.6E2157 Y2161 E2293E2157-M2302 HydrophobicContact CB-CE 3.76Å; E2157-M2302 HydrophobicContact CG-CE 3.67Å; Y2161-M2302 HydrophobicContact CD1-CB 4.11Å; Y2161-M2302 HydrophobicContact CE1-CB 4.32Å; E2293-M2302 HydrophobicContact CB-CG 3.9Å; E2293-M2302 PolarHBondContact N-O 3.06Å; E2293-M2302 PolarHBondContact O-N 3.17Å
2303W87.2Confident76Confident1 Ų166.7 Ų66.70%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-94.9138.4171.6-65.792.2000110.2L2089 S2158 W2162 L2226 I2234 L2290 N2291 L2292L2089-W2303 HydrophobicContact CB-CD2 4.4Å; L2089-W2303 HydrophobicContact CB-CG 4.14Å; L2089-W2303 HydrophobicContact CD2-CZ2 3.89Å; L2089-W2303 WeakPolarHBondContact O-CB 3.41Å; S2158-W2303 WeakPolarHBondContact CB-O 3.49Å; S2158-W2303 PolarHBondContact N-O 3.11Å; W2162-W2303 AromaticContact CD2-NE1 3.29Å; W2162-W2303 VanDerWaalsContact CD2-NE1 3.29Å; W2162-W2303 AromaticContact CE2-NE1 3.83Å; W2162-W2303 HydrophobicContact CE3-CZ2 4.26Å; W2162-W2303 AromaticContact CE3-NE1 3.43Å; W2162-W2303 AromaticContact CG-CD1 3.86Å; W2162-W2303 AromaticContact CG-NE1 3.49Å; W2162-W2303 HydrophobicContact CH2-CZ2 4.24Å; W2162-W2303 HydrophobicContact CZ3-CZ2 4.05Å; L2226-W2303 HydrophobicContact CD2-CH2 4.22Å; L2226-W2303 HydrophobicContact CD2-CZ2 3.97Å; I2234-W2303 HydrophobicContact CD1-CH2 3.61Å; I2234-W2303 HydrophobicContact CD1-CZ3 3.69Å; I2234-W2303 HydrophobicContact CG1-CZ3 4.35Å; L2290-W2303 HydrophobicContact CB-CE3 3.89Å; L2290-W2303 HydrophobicContact CB-CZ3 4.27Å; N2291-W2303 CarbonylContact O-C 3.4Å; N2291-W2303 WeakPolarHBondContact O-CA 3.36Å; L2292-W2303 HydrophobicContact CB-CD2 4.36Å; L2292-W2303 HydrophobicContact CB-CE3 3.96Å; L2292-W2303 HydrophobicContact CB-CH2 3.96Å; L2292-W2303 HydrophobicContact CB-CZ2 4.33Å; L2292-W2303 HydrophobicContact CB-CZ3 3.76Å; L2292-W2303 HydrophobicContact CD1-CD2 4.1Å; L2292-W2303 HydrophobicContact CD1-CG 4.48Å; L2292-W2303 HydrophobicContact CD1-CZ2 4.13Å; L2292-W2303 HydrophobicContact CD2-CH2 4.4Å; L2292-W2303 HydrophobicContact CD2-CZ2 4.31Å; L2292-W2303 HydrophobicContact CG-CZ2 4.5Å
2304I87.7Confident75Confident7 Ų769.3 Ų69.34%0.03637%0.369CS..EExtended strand (participates in β ladder)trans-110.2122.2174.3-65152.5000107.4P2156 E2157 L2290 N2291 E2293P2156-I2304 HydrophobicContact CB-CG2 4.44Å; P2156-I2304 CarbonylContact O-C 3.28Å; P2156-I2304 VanDerWaalsContact O-CA 3.22Å; P2156-I2304 WeakPolarHBondContact O-CA 3.36Å; E2157-I2304 HydrophobicContact CG-CG1 4.02Å; L2290-I2304 CarbonylContact C-O 3.47Å; L2290-I2304 VanDerWaalsContact CA-O 3.3Å; L2290-I2304 WeakPolarHBondContact CA-O 3.32Å; N2291-I2304 HydrophobicContact CB-CB 4.42Å; N2291-I2304 PolarHBondContact N-O 3.27Å; N2291-I2304 PolarHBondContact O-N 2.89Å; E2293-I2304 HydrophobicContact CB-CD1 4.06Å; E2293-I2304 HydrophobicContact CG-CD1 3.66Å; E2293-I2304 VanDerWaalsContact OE2-CD1 3.31Å; E2293-I2304 WeakPolarHBondContact OE2-CD1 3.4Å
2305A87.6Confident74.6Confident0 Ų065.6 Ų65.60%036%0.356CS..EExtended strand (participates in β ladder)trans-104.2127.217800000110.8I2081 Y2090 P2156 T2289 L2290 L2332I2081-A2305 HydrophobicContact CD1-CB 4.32Å; Y2090-A2305 HydrophobicContact CD1-CB 4.34Å; Y2090-A2305 HydrophobicContact CD2-CB 3.61Å; Y2090-A2305 HydrophobicContact CE1-CB 4.4Å; Y2090-A2305 HydrophobicContact CE2-CB 3.69Å; Y2090-A2305 HydrophobicContact CG-CB 3.95Å; P2156-A2305 WeakPolarHBondContact CA-O 3.38Å; P2156-A2305 PolarHBondContact O-N 2.99Å; T2289-A2305 WeakPolarHBondContact O-CA 3.36Å; L2290-A2305 HydrophobicContact CD2-CB 3.69Å; A2305-L2332 HydrophobicContact CB-CD2 4.28Å
2306T86Confident74.5Confident30 Ų3071.4 Ų71.418%0.18437%0.369CS..EExtended strand (participates in β ladder)trans-128.4135.217235.70000110.1T2289 P2330T2289-T2306 PolarHBondContact N-O 3.48Å; T2289-T2306 PolarHBondContact O-N 2.82Å; T2289-T2306 PolarHBondContact OG1-O 3.38Å; T2289-T2306 PolarHBondContact OG1-OG1 3.47Å; T2306-P2330 HydrophobicContact CG2-CG 4.21Å
2307S84.6Confident74.5Confident32 Ų3262 Ų6222%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-96.6148.2174.553.60000112.4S2287 L2332S2287-S2307 CarbonylContact O-C 3.57Å; S2287-S2307 WeakPolarHBondContact O-CA 3.33Å; S2307-L2332 VanDerWaalsContact CB-CD1 3.45Å; S2307-L2332 VanDerWaalsContact OG-CD1 3.32Å; S2307-L2332 WeakPolarHBondContact OG-CD1 3.43Å
2308E81.6Confident75.2Confident94 Ų9460.8 Ų60.844%0.43932%0.318SS..EExtended strand (participates in β ladder)trans-127120.8170.2-177.7164.3-144.500109.9D2286 S2287 Q2313D2286-E2308 WeakPolarHBondContact CA-O 3.49Å; S2287-E2308 PolarHBondContact N-O 3.02Å; S2287-E2308 PolarHBondContact O-N 3.2Å; E2308-Q2313 PolarHBondContact OE1-NE2 2.93Å
2309H81.7Confident75.7Confident28 Ų2853.8 Ų53.813%0.1329%0.285CS..  trans-66.3142.3176.8-65.3-50.1000111.2D2286 G2311 W2318D2286-H2309 IonicContact OD1-CE1 3.16Å; D2286-H2309 IonicContact OD1-CG 2.69Å; D2286-H2309 IonicContact OD1-ND1 3.44Å; D2286-H2309 PolarHBondContact OD1-ND1 3.27Å; D2286-H2309 IonicContact OD2-CE1 3.64Å; D2286-H2309 PolarHBondContact OD2-CE1 3.41Å; D2286-H2309 IonicContact OD2-ND1 3.28Å; D2286-H2309 PolarHBondContact OD2-ND1 3.49Å; H2309-G2311 PolarHBondContact O-N 2.95Å; H2309-W2318 HydrophobicContact CB-CD2 4.05Å; H2309-W2318 HydrophobicContact CB-CG 4.13Å; H2309-W2318 HydrophobicContact CB-CZ2 4.35Å; H2309-W2318 AromaticContact CD2-CG 3.71Å; H2309-W2318 AromaticContact CG-CD2 3.82Å; H2309-W2318 AromaticContact CG-CG 3.85Å; H2309-W2318 AromaticContact ND1-CE3 3.93Å
2310P74.8Confident76.1Confident28 Ų2856.6 Ų56.618%0.18229%0.291CS..SBendtrans-70.1117.6177.127.1-32000111.2I2270 W2318I2270-P2310 HydrophobicContact CD1-CB 4.14Å; I2270-P2310 HydrophobicContact CD1-CG 4.06Å; P2310-W2318 HydrophobicContact CG-CH2 4.45Å; P2310-W2318 HydrophobicContact CG-CZ2 4.14Å
2311G70.6Confident76.2Confident48 Ų4855.4 Ų55.450%0.49529%0.289SS..SBendtrans117.2-145.2175.400000113.6H2309H2309-G2311 PolarHBondContact O-N 2.95Å
2312D67Low76.1Confident82 Ų8256.2 Ų56.244%0.43930%0.3SS..  trans-82.6120.3176.1-177-3.5000110N2314 A2315D2312-N2314 PolarHBondContact O-N 3.03Å; D2312-N2314 VanDerWaalsContact O-N 3.07Å; D2312-N2314 WeakPolarHBondContact OD1-CB 3.16Å; D2312-N2314 PolarHBondContact OD1-N 3.49Å; D2312-N2314 PolarHBondContact OD1-ND2 3.49Å; D2312-A2315 VanDerWaalsContact O-CB 3.31Å; D2312-A2315 WeakPolarHBondContact O-CB 3.29Å; D2312-A2315 PolarHBondContact O-N 3.37Å
2313Q60.7Low75.9Confident128 Ų12859.5 Ų59.560%0.59832%0.318SS*.THydrogen-bonded Turntrans-58.6-19.7177.6-61.3-177.63.700112.9E2308E2308-Q2313 PolarHBondContact OE1-NE2 2.93Å
2314N58.6Low75.4Confident137 Ų13759.7 Ų59.773%0.73332%0.319SS*.THydrogen-bonded Turntrans-87.4-0.1178.3-59.7-72.2000114.3D2312 K2316D2312-N2314 PolarHBondContact O-N 3.03Å; D2312-N2314 VanDerWaalsContact O-N 3.07Å; D2312-N2314 WeakPolarHBondContact OD1-CB 3.16Å; D2312-N2314 PolarHBondContact OD1-N 3.49Å; D2312-N2314 PolarHBondContact OD1-ND2 3.49Å; N2314-K2316 PolarHBondContact O-N 2.63Å
2315A64.2Low74.8Confident24 Ų2466 Ų6620%0.19836%0.359CS..  trans-64.8124.6-179.600000111.6D2312 L2317 W2318D2312-A2315 VanDerWaalsContact O-CB 3.31Å; D2312-A2315 WeakPolarHBondContact O-CB 3.29Å; D2312-A2315 PolarHBondContact O-N 3.37Å; A2315-L2317 PolarHBondContact O-N 3.15Å; A2315-W2318 PolarHBondContact O-N 3.27Å; A2315-W2318 VanDerWaalsContact O-N 3.11Å
2316K67.8Low74.2Confident162 Ų16271.4 Ų71.470%0.70438%0.38SS*.THydrogen-bonded Turntrans-57.4-6.7177.6-67.2-177.4177.4-179.40115.3A2118 N2314A2118-K2316 HydrophobicContact CB-CB 4.25Å; A2118-K2316 WeakPolarHBondContact CB-O 3.34Å; N2314-K2316 PolarHBondContact O-N 2.63Å
2317L73.7Confident73.5Confident21 Ų2172 Ų7211%0.1139%0.386CS..THydrogen-bonded Turntrans-75-28.9178.4-167.360.8000112.2A2118 L2119 I2262 A2315A2118-L2317 HydrophobicContact CB-CD1 4.27Å; L2119-L2317 HydrophobicContact CD2-CD1 3.76Å; L2119-L2317 HydrophobicContact CG-CD1 4.18Å; I2262-L2317 HydrophobicContact CG1-CD2 3.86Å; I2262-L2317 HydrophobicContact CG1-CG 4.44Å; I2262-L2317 HydrophobicContact CG2-CD2 4.41Å; A2315-L2317 PolarHBondContact O-N 3.15Å
2318W78.7Confident73.2Confident22 Ų2272.8 Ų72.88%0.08340%0.398CS..SBendtrans-97138179.9-52.7121000110.8A2242 F2243 I2262 H2309 P2310 A2315 K2320A2242-W2318 HydrophobicContact CB-CE3 4.29Å; A2242-W2318 HydrophobicContact CB-CZ3 3.82Å; F2243-W2318 HydrophobicContact CD2-CZ3 4.3Å; F2243-W2318 HydrophobicContact CE2-CE3 4.04Å; F2243-W2318 AromaticContact CE2-CZ3 3.77Å; F2243-W2318 HydrophobicContact CE2-CZ3 3.77Å; I2262-W2318 HydrophobicContact CD1-CH2 4.12Å; I2262-W2318 HydrophobicContact CD1-CZ3 4.3Å; I2262-W2318 HydrophobicContact CG2-CH2 4.09Å; I2262-W2318 HydrophobicContact CG2-CZ2 4.16Å; H2309-W2318 HydrophobicContact CB-CD2 4.05Å; H2309-W2318 HydrophobicContact CB-CG 4.13Å; H2309-W2318 HydrophobicContact CB-CZ2 4.35Å; H2309-W2318 AromaticContact CD2-CG 3.71Å; H2309-W2318 AromaticContact CG-CD2 3.82Å; H2309-W2318 AromaticContact CG-CG 3.85Å; H2309-W2318 AromaticContact ND1-CE3 3.93Å; P2310-W2318 HydrophobicContact CG-CH2 4.45Å; P2310-W2318 HydrophobicContact CG-CZ2 4.14Å; A2315-W2318 PolarHBondContact O-N 3.27Å; A2315-W2318 VanDerWaalsContact O-N 3.11Å; W2318-K2320 PolarHBondContact O-N 2.87Å
2319I76.8Confident73.2Confident15 Ų1571.5 Ų71.58%0.07739%0.389CS..  trans-80.5113.3179.5-58.1-178000108.8I2107 I2151 T2321 Q2333 V2335I2107-I2319 HydrophobicContact CD1-CD1 3.83Å; I2151-I2319 HydrophobicContact CD1-CD1 4.42Å; I2151-I2319 HydrophobicContact CD1-CG2 4.4Å; I2319-T2321 PolarHBondContact O-N 3.4Å; I2319-T2321 VanDerWaalsContact O-N 3.12Å; I2319-Q2333 PolarHBondContact O-NE2 2.8Å; I2319-V2335 HydrophobicContact CD1-CG2 3.89Å
2320K74.2Confident73.3Confident194 Ų19472.7 Ų72.784%0.84340%0.399SS*.  trans-43117.3-179.8-70.5-170.7176.8-172.10112.8W2318W2318-K2320 PolarHBondContact O-N 2.87Å
2321T73.1Confident73.8Confident49 Ų4972.9 Ų72.930%0.30140%0.397SS..PPolyproline II helixtrans-62.8137176.7-49.40000111.4I2319 P2330 Y2331I2319-T2321 PolarHBondContact O-N 3.4Å; I2319-T2321 VanDerWaalsContact O-N 3.12Å; T2321-P2330 HydrophobicContact CG2-CB 3.84Å; T2321-Y2331 WeakPolarHBondContact CG2-O 3.33Å
2322A76.5Confident74.6Confident40 Ų4070.6 Ų70.633%0.33137%0.373SS..PPolyproline II helixtrans-81.4152.1171.800000110.9Y2331A2322-Y2331 HydrophobicContact CB-CD2 4.08Å; A2322-Y2331 WeakPolarHBondContact O-CD2 3.45Å; A2322-Y2331 PolarHBondContact O-N 2.96Å
2323N81.4Confident75.5Confident107 Ų10767.1 Ų67.157%0.57235%0.354SS*.BIsolated β-bridgetrans-92.2148170.3-69.1-1.3000110.5
2324T75.9Confident76.9Confident5 Ų561 Ų613%0.03133%0.326CS..PPolyproline II helixtrans-64.2140.6169.450.10000110.8P2156 Y2326 S2327 G2328 R2329 Y2331P2156-T2324 HydrophobicContact CG-CG2 3.84Å; T2324-Y2326 VanDerWaalsContact C-N 3.31Å; T2324-Y2326 HydrophobicContact CG2-CE1 3.72Å; T2324-Y2326 HydrophobicContact CG2-CE2 4.29Å; T2324-Y2326 WeakPolarHBondContact CG2-OH 3.48Å; T2324-S2327 PolarHBondContact OG1-OG 3.15Å; T2324-G2328 WeakPolarHBondContact O-CA 3.48Å; T2324-G2328 PolarHBondContact O-N 3.01Å; T2324-G2328 PolarHBondContact OG1-N 3.45Å; T2324-G2328 VanDerWaalsContact OG1-N 3.14Å; T2324-R2329 WeakPolarHBondContact CB-O 3.32Å; T2324-R2329 WeakPolarHBondContact CG2-O 3.35Å; T2324-R2329 PolarHBondContact N-O 2.98Å; T2324-R2329 PolarHBondContact OG1-N 3.35Å; T2324-R2329 PolarHBondContact OG1-O 2.76Å; T2324-Y2331 HydrophobicContact CG2-CD1 4.21Å; T2324-Y2331 HydrophobicContact CG2-CD2 4.25Å; T2324-Y2331 HydrophobicContact CG2-CE1 3.85Å; T2324-Y2331 HydrophobicContact CG2-CE2 3.89Å; T2324-Y2331 HydrophobicContact CG2-CG 4.39Å
2325T75.8Confident78.3Confident140 Ų14054.8 Ų54.886%0.85929%0.293SS*.THydrogen-bonded Turntrans-72.7-24.6176.446.60000113.1
2326Y74.5Confident79.5Confident114 Ų11453.7 Ų53.745%0.44728%0.283SS..THydrogen-bonded Turntrans-95.9-40.8-172.654.9-88.9000114R2155 T2324R2155-Y2326 WeakPolarHBondContact CB-OH 3.32Å; T2324-Y2326 VanDerWaalsContact C-N 3.31Å; T2324-Y2326 HydrophobicContact CG2-CE1 3.72Å; T2324-Y2326 HydrophobicContact CG2-CE2 4.29Å; T2324-Y2326 WeakPolarHBondContact CG2-OH 3.48Å
2327S71.5Confident80.6Confident43 Ų4346 Ų4630%0.30125%0.25SC..THydrogen-bonded Turntrans-114.6-2.1179.462.80000115.1E2157 T2324 R2329E2157-S2327 WeakPolarHBondContact OE1-CB 3.47Å; E2157-S2327 PolarHBondContact OE1-OG 3.29Å; T2324-S2327 PolarHBondContact OG1-OG 3.15Å; S2327-R2329 PolarHBondContact O-N 3.12Å
2328G78.5Confident81.2Confident47 Ų4745.1 Ų45.149%0.48525%0.245SC..  trans682.2178.800000114.7T2324T2324-G2328 WeakPolarHBondContact O-CA 3.48Å; T2324-G2328 PolarHBondContact O-N 3.01Å; T2324-G2328 PolarHBondContact OG1-N 3.45Å; T2324-G2328 VanDerWaalsContact OG1-N 3.14Å
2329R81.8Confident81.4Confident68 Ų6845.7 Ų45.726%0.25725%0.25SC..PPolyproline II helixtrans-79.6144.7179.3-68168.3176.4169-10110.6P2156 E2157 E2293 T2324 S2327P2156-R2329 HydrophobicContact CB-CB 4.15Å; P2156-R2329 HydrophobicContact CG-CB 3.66Å; E2157-R2329 IonicContact OE1-CZ 2.59Å; E2157-R2329 IonicContact OE1-NH1 3.14Å; E2157-R2329 PolarHBondContact OE1-NH1 3.15Å; E2293-R2329 IonicContact OE1-CZ 3.87Å; E2293-R2329 IonicContact OE1-NH2 2.62Å; E2293-R2329 PolarHBondContact OE1-NH2 2.97Å; E2293-R2329 IonicContact OE2-CZ 2.79Å; E2293-R2329 IonicContact OE2-NH1 3.3Å; E2293-R2329 IonicContact OE2-NH2 2.63Å; E2293-R2329 PolarHBondContact OE2-NH2 3.21Å; T2324-R2329 WeakPolarHBondContact CB-O 3.32Å; T2324-R2329 WeakPolarHBondContact CG2-O 3.35Å; T2324-R2329 PolarHBondContact N-O 2.98Å; T2324-R2329 PolarHBondContact OG1-N 3.35Å; T2324-R2329 PolarHBondContact OG1-O 2.76Å; S2327-R2329 PolarHBondContact O-N 3.12Å
2330P83.4Confident81.5Confident53 Ų5349.4 Ų49.434%0.34426%0.263SS..BIsolated β-bridgetrans-67.2143.2177.328.1-34.1000111.6T2306 T2321T2306-P2330 HydrophobicContact CG2-CG 4.21Å; T2321-P2330 HydrophobicContact CG2-CB 3.84Å
2331Y85.4Confident81.2Confident31 Ų3140.5 Ų40.512%0.12223%0.226CC..PPolyproline II helixtrans-68.4150170.8-75.6-83.3000111.5R2153 F2154 R2155 T2321 A2322 T2324R2153-Y2331 HydrophobicContact CB-CD1 4Å; R2153-Y2331 HydrophobicContact CB-CG 4.08Å; F2154-Y2331 WeakPolarHBondContact O-CD1 3.47Å; R2155-Y2331 HydrophobicContact CG-CE1 4.2Å; T2321-Y2331 WeakPolarHBondContact CG2-O 3.33Å; A2322-Y2331 HydrophobicContact CB-CD2 4.08Å; A2322-Y2331 WeakPolarHBondContact O-CD2 3.45Å; A2322-Y2331 PolarHBondContact O-N 2.96Å; T2324-Y2331 HydrophobicContact CG2-CD1 4.21Å; T2324-Y2331 HydrophobicContact CG2-CD2 4.25Å; T2324-Y2331 HydrophobicContact CG2-CE1 3.85Å; T2324-Y2331 HydrophobicContact CG2-CE2 3.89Å; T2324-Y2331 HydrophobicContact CG2-CG 4.39Å
2332L86.9Confident80.8Confident0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-83.6115168.5171.457.2000108.4L2079 Y2090 F2154 L2288 A2305 S2307L2079-L2332 HydrophobicContact CD2-CD2 3.46Å; L2079-L2332 VanDerWaalsContact CD2-CD2 3.46Å; L2079-L2332 HydrophobicContact CD2-CG 4.15Å; Y2090-L2332 HydrophobicContact CE1-CD2 4.24Å; F2154-L2332 HydrophobicContact CB-CB 4.09Å; F2154-L2332 HydrophobicContact CB-CD2 4.49Å; F2154-L2332 HydrophobicContact CB-CG 4.33Å; F2154-L2332 HydrophobicContact CD2-CG 4.27Å; F2154-L2332 WeakPolarHBondContact CD2-O 3.32Å; F2154-L2332 PolarHBondContact N-O 3.15Å; F2154-L2332 PolarHBondContact O-N 3.34Å; L2288-L2332 HydrophobicContact CD2-CD1 3.8Å; L2288-L2332 HydrophobicContact CD2-CD2 4.05Å; A2305-L2332 HydrophobicContact CB-CD2 4.28Å; S2307-L2332 VanDerWaalsContact CB-CD1 3.45Å; S2307-L2332 VanDerWaalsContact OG-CD1 3.32Å; S2307-L2332 WeakPolarHBondContact OG-CD1 3.43Å
2333Q87.1Confident80.1Confident10 Ų1043.8 Ų43.85%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-117.8135.3-164.4-168.5179.9-96.500113.3I2151 V2152 R2153 I2319I2151-Q2333 HydrophobicContact CG2-CG 3.6Å; V2152-Q2333 WeakPolarHBondContact O-CA 3.26Å; R2153-Q2333 HydrophobicContact CG-CG 4.33Å; I2319-Q2333 PolarHBondContact O-NE2 2.8Å
2334V88.6Confident79Confident0 Ų040.9 Ų40.90%022%0.221CC..EExtended strand (participates in β ladder)trans-133.3139.6176.4176.30000110.1V2152 F2154 L2188 I2240 I2244V2152-V2334 PolarHBondContact N-O 3.24Å; V2152-V2334 PolarHBondContact O-N 3.28Å; F2154-V2334 HydrophobicContact CE2-CB 4.37Å; F2154-V2334 HydrophobicContact CE2-CG2 4.03Å; L2188-V2334 HydrophobicContact CD2-CG1 4.42Å; I2240-V2334 HydrophobicContact CD1-CG2 3.84Å; I2240-V2334 HydrophobicContact CG1-CG2 4.26Å; I2244-V2334 HydrophobicContact CD1-CG1 3.54Å; I2244-V2334 HydrophobicContact CG1-CG1 3.95Å
2335V89.4Confident78.2Confident6 Ų645 Ų454%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-105.3120.3178.7-175.90000110.7I2149 L2150 A2242 F2243 I2244 I2319I2149-V2335 HydrophobicContact CG2-CG1 3.87Å; L2150-V2335 CarbonylContact O-C 3.58Å; L2150-V2335 WeakPolarHBondContact O-CA 3.47Å; A2242-V2335 WeakPolarHBondContact O-CB 3.38Å; A2242-V2335 PolarHBondContact O-N 3.24Å; F2243-V2335 CarbonylContact C-O 3.54Å; F2243-V2335 WeakPolarHBondContact CA-O 3.19Å; F2243-V2335 HydrophobicContact CD1-CB 3.77Å; F2243-V2335 HydrophobicContact CD1-CG1 4.07Å; F2243-V2335 HydrophobicContact CD1-CG2 4.26Å; F2243-V2335 HydrophobicContact CE1-CB 4.14Å; F2243-V2335 HydrophobicContact CE1-CG1 4.32Å; F2243-V2335 HydrophobicContact CE1-CG2 4.17Å; I2244-V2335 PolarHBondContact N-O 2.91Å; I2319-V2335 HydrophobicContact CD1-CG2 3.89Å
2336G88.6Confident77.5Confident0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-105.1125.1178.800000113.2I2149 L2150 I2244I2149-G2336 WeakPolarHBondContact CA-O 3.45Å; L2150-G2336 PolarHBondContact N-O 2.89Å; L2150-G2336 PolarHBondContact O-N 3.4Å; I2244-G2336 CarbonylContact O-C 3.57Å; I2244-G2336 WeakPolarHBondContact O-CA 3.49Å
2337F90.7Very high76.8Confident0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans-92.3115168.4-61.5-85.3000109.2Y2140 L2141 Y2144 I2149 F2243 I2244 Q2245 V2246 P2255 I2258Y2140-F2337 HydrophobicContact CE1-CD1 4.43Å; Y2140-F2337 HydrophobicContact CE1-CD2 4.41Å; Y2140-F2337 HydrophobicContact CE1-CG 4.32Å; L2141-F2337 HydrophobicContact CD1-CE1 3.82Å; L2141-F2337 HydrophobicContact CD1-CZ 4.31Å; Y2144-F2337 HydrophobicContact CD1-CB 4.4Å; Y2144-F2337 AromaticContact CD2-CD1 4Å; Y2144-F2337 HydrophobicContact CD2-CD1 4Å; Y2144-F2337 HydrophobicContact CE1-CB 4.17Å; Y2144-F2337 HydrophobicContact CE2-CB 4.32Å; Y2144-F2337 HydrophobicContact CE2-CD1 4.43Å; Y2144-F2337 HydrophobicContact CG-CD1 4.19Å; I2149-F2337 HydrophobicContact CD1-CD1 4.12Å; I2149-F2337 HydrophobicContact CD1-CE1 3.89Å; I2149-F2337 HydrophobicContact CG1-CD1 3.77Å; I2149-F2337 HydrophobicContact CG1-CE1 3.98Å; I2149-F2337 HydrophobicContact CG2-CE1 4.36Å; F2243-F2337 HydrophobicContact CB-CE2 4.19Å; F2243-F2337 AromaticContact CD1-CE2 3.9Å; F2243-F2337 HydrophobicContact CD1-CE2 3.9Å; F2243-F2337 HydrophobicContact CD1-CZ 4.2Å; F2243-F2337 HydrophobicContact CG-CE2 4.45Å; I2244-F2337 WeakPolarHBondContact O-CD2 3.39Å; I2244-F2337 PolarHBondContact O-N 3.01Å; Q2245-F2337 CarbonylContact C-O 3.57Å; Q2245-F2337 WeakPolarHBondContact CA-O 3.49Å; Q2245-F2337 HydrophobicContact CB-CB 4.48Å; V2246-F2337 PolarHBondContact N-O 3.29Å; P2255-F2337 HydrophobicContact CG-CD2 4.43Å; P2255-F2337 HydrophobicContact CG-CE2 4.31Å; I2258-F2337 HydrophobicContact CD1-CE2 3.87Å; I2258-F2337 HydrophobicContact CD1-CZ 3.66Å
2338I87.5Confident76.4Confident3 Ų341.9 Ų41.92%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-99.5118.2-172.9-60.1169.3000109.4P2074 D2148 L2150 V2246P2074-I2338 HydrophobicContact CG-CD1 4.45Å; D2148-I2338 PolarHBondContact O-N 3.47Å; L2150-I2338 HydrophobicContact CB-CD1 4.04Å; L2150-I2338 HydrophobicContact CD2-CD1 4.21Å; V2246-I2338 HydrophobicContact CG2-CG1 4.49Å
2339D82.8Confident75.5Confident34 Ų3443.2 Ų43.218%0.18222%0.217CC..PPolyproline II helixtrans-69.9142.5170.6-72.41.8000110.9Y2144 R2192 Q2245 V2246 P2247 N2248Y2144-D2339 WeakPolarHBondContact CE1-OD1 3.32Å; Y2144-D2339 PolarHBondContact OH-OD1 2.72Å; R2192-D2339 PolarHBondContact NH1-O 3.26Å; Q2245-D2339 PolarHBondContact NE2-OD1 3.27Å; Q2245-D2339 PolarHBondContact NE2-OD2 3.12Å; V2246-D2339 PolarHBondContact O-N 2.88Å; P2247-D2339 WeakPolarHBondContact CA-OD2 3.03Å; N2248-D2339 VanDerWaalsContact OD1-C 3.29Å; N2248-D2339 PolarHBondContact OD1-O 2.85Å
2340R77.9Confident74.4Confident94 Ų9444 Ų4436%0.35522%0.223SC..PPolyproline II helixtrans-81.7132.1176.4-63.2-173.9-176.3-159.7-1112T2070 I2071 T2145 D2148 N2248T2070-R2340 CarbonylContact O-C 3.59Å; T2070-R2340 WeakPolarHBondContact O-CA 3.43Å; T2070-R2340 WeakPolarHBondContact O-CB 3.4Å; I2071-R2340 HydrophobicContact CG1-CG 4.17Å; T2145-R2340 VanDerWaalsContact CG2-NH2 3.31Å; T2145-R2340 PolarHBondContact OG1-NH2 3.36Å; T2145-R2340 VanDerWaalsContact OG1-NH2 3.15Å; D2148-R2340 WeakPolarHBondContact OD1-CG 3.32Å; D2148-R2340 IonicContact OD1-CZ 2.87Å; D2148-R2340 IonicContact OD1-NE 3.23Å; D2148-R2340 PolarHBondContact OD1-NE 2.92Å; D2148-R2340 IonicContact OD1-NH2 2.66Å; D2148-R2340 PolarHBondContact OD1-NH2 3Å; D2148-R2340 IonicContact OD2-CZ 2.82Å; D2148-R2340 IonicContact OD2-NE 2.76Å; D2148-R2340 PolarHBondContact OD2-NE 3.42Å; D2148-R2340 IonicContact OD2-NH2 2.57Å; D2148-R2340 PolarHBondContact OD2-NH2 3.32Å; N2248-R2340 PolarHBondContact ND2-O 2.9Å; N2248-R2340 PolarHBondContact OD1-O 2.83Å
2341A68.4Low73.4Confident7 Ų749.9 Ų49.96%0.05824%0.243CC..BIsolated β-bridgetrans-74.7148.3179.500000112.3G2069 T2070 E2198 N2248G2069-A2341 CarbonylContact C-O 3.39Å; G2069-A2341 WeakPolarHBondContact CA-O 3.3Å; T2070-A2341 PolarHBondContact N-O 3.18Å; T2070-A2341 PolarHBondContact O-N 3.12Å; T2070-A2341 PolarHBondContact OG1-O 3.47Å; E2198-A2341 WeakPolarHBondContact OE2-CB 3.28Å; N2248-A2341 PolarHBondContact OD1-N 3.02Å
2342F64.4Low72.2Confident108 Ų10850.4 Ų50.447%0.47426%0.258SS..PPolyproline II helixtrans-101.5140.5169.1-70.1-72.8000109.9S2344F2342-S2344 PolarHBondContact O-N 2.87Å
2343P61.3Low71.1Confident49 Ų4953.2 Ų53.232%0.31829%0.286SS..PPolyproline II helixtrans-52.8130.4170.5-26.734.6000111.6F2345 L2346 A2347P2343-F2345 PolarHBondContact O-N 2.86Å; P2343-L2346 HydrophobicContact CB-CD1 4.49Å; P2343-L2346 HydrophobicContact CG-CD1 4.3Å; P2343-L2346 PolarHBondContact O-N 3.28Å; P2343-A2347 PolarHBondContact O-N 3.32Å
2344S59Low70Confident46 Ų4654.5 Ų54.532%0.32230%0.295SS..Hα-helixtrans-55-28.6-169.854.50000114.9N2197 F2342 K2348N2197-S2344 VanDerWaalsContact O-CB 3.23Å; N2197-S2344 WeakPolarHBondContact O-CB 3.22Å; N2197-S2344 PolarHBondContact O-OG 3.09Å; F2342-S2344 PolarHBondContact O-N 2.87Å; S2344-K2348 PolarHBondContact O-N 2.86Å
2345F58.3Low69.1Low92 Ų9260.5 Ų60.540%0.40433%0.326SS..Hα-helixtrans-62.2-47.9171.7174.3-102.5000113.1L1860 K1864 P2343 K2348 V2349L1860-F2345 HydrophobicContact CD2-CE2 4.45Å; L1860-F2345 HydrophobicContact CD2-CZ 4.37Å; K1864-F2345 HydrophobicContact CD-CB 4.44Å; P2343-F2345 PolarHBondContact O-N 2.86Å; F2345-K2348 PolarHBondContact O-N 3.45Å; F2345-V2349 HydrophobicContact CE1-CG2 4.45Å; F2345-V2349 HydrophobicContact CE2-CG2 4.33Å; F2345-V2349 HydrophobicContact CZ-CG2 4.18Å; F2345-V2349 PolarHBondContact O-N 2.67Å
2346L60.6Low68.4Low19 Ų1963.4 Ų63.410%0.09935%0.35CS..Hα-helixtrans-66-44.1-179.6-68.1175.9000110.4L2065 P2343 K2348 V2349 F2350L2065-L2346 HydrophobicContact CD1-CD2 4.49Å; L2065-L2346 HydrophobicContact CD2-CD2 4.33Å; P2343-L2346 HydrophobicContact CB-CD1 4.49Å; P2343-L2346 HydrophobicContact CG-CD1 4.3Å; P2343-L2346 PolarHBondContact O-N 3.28Å; L2346-K2348 PolarHBondContact O-N 3.07Å; L2346-K2348 VanDerWaalsContact O-N 3.14Å; L2346-V2349 PolarHBondContact O-N 2.99Å; L2346-V2349 VanDerWaalsContact O-N 3.12Å; L2346-F2350 HydrophobicContact CB-CD2 4.02Å; L2346-F2350 HydrophobicContact CB-CE2 3.89Å; L2346-F2350 HydrophobicContact CD2-CE2 4.15Å; L2346-F2350 HydrophobicContact CG-CE2 4.46Å; L2346-F2350 WeakPolarHBondContact O-CD2 3.28Å; L2346-F2350 PolarHBondContact O-N 3.45Å
2347A61.1Low67.4Low38 Ų3867.6 Ų67.631%0.31438%0.375SS..Hα-helixtrans-58.9-25.2175.900000113.6P2343 K2351P2343-A2347 PolarHBondContact O-N 3.32Å; A2347-K2351 WeakPolarHBondContact O-CD 3.43Å; A2347-K2351 VanDerWaalsContact O-CG 3.3Å; A2347-K2351 WeakPolarHBondContact O-CG 3.23Å
2348K62.7Low66.6Low174 Ų17469.9 Ų69.976%0.75738%0.384SS*.Hα-helixtrans-83.3-35.4175.8-161171.7-174.8176.10112.8S2344 F2345 L2346S2344-K2348 PolarHBondContact O-N 2.86Å; F2345-K2348 PolarHBondContact O-N 3.45Å; L2346-K2348 PolarHBondContact O-N 3.07Å; L2346-K2348 VanDerWaalsContact O-N 3.14Å
2349V59.4Low66.2Low75 Ų7574.2 Ų74.246%0.45541%0.407SS..Hα-helixtrans-75.4-42.4177.5176.80000111.7F2345 L2346 K2351 G2352F2345-V2349 HydrophobicContact CE1-CG2 4.45Å; F2345-V2349 HydrophobicContact CE2-CG2 4.33Å; F2345-V2349 HydrophobicContact CZ-CG2 4.18Å; F2345-V2349 PolarHBondContact O-N 2.67Å; L2346-V2349 PolarHBondContact O-N 2.99Å; L2346-V2349 VanDerWaalsContact O-N 3.12Å; V2349-K2351 PolarHBondContact O-N 2.69Å; V2349-G2352 PolarHBondContact O-N 3.09Å
2350F59.7Low66Low86 Ų8675.4 Ų75.438%0.37742%0.418SS..THydrogen-bonded Turntrans-69-13.8180-70.5-55.5000114.4L2346 G2352 V2354L2346-F2350 HydrophobicContact CB-CD2 4.02Å; L2346-F2350 HydrophobicContact CB-CE2 3.89Å; L2346-F2350 HydrophobicContact CD2-CE2 4.15Å; L2346-F2350 HydrophobicContact CG-CE2 4.46Å; L2346-F2350 WeakPolarHBondContact O-CD2 3.28Å; L2346-F2350 PolarHBondContact O-N 3.45Å; F2350-G2352 PolarHBondContact O-N 3.22Å; F2350-V2354 HydrophobicContact CD1-CG2 4.48Å
2351K60.8Low65.9Low176 Ų17673.9 Ų73.977%0.76542%0.419SS*.THydrogen-bonded Turntrans-72.4-6.5168.8-76.8175-178.6-176.60113.4A2347 V2349A2347-K2351 WeakPolarHBondContact O-CD 3.43Å; A2347-K2351 VanDerWaalsContact O-CG 3.3Å; A2347-K2351 WeakPolarHBondContact O-CG 3.23Å; V2349-K2351 PolarHBondContact O-N 2.69Å
2352G61Low66.5Low42 Ų4276 Ų7643%0.43343%0.429SS..SBendtrans-112.5155.8176.700000114.1V2349 F2350 V2354V2349-G2352 PolarHBondContact O-N 3.09Å; F2350-G2352 PolarHBondContact O-N 3.22Å; G2352-V2354 PolarHBondContact O-N 2.88Å
2353G63.6Low67.4Low58 Ų5876.5 Ų76.560%0.59844%0.436SS*.  trans-7184.7-176.600000114.6I2355 A2356 V2357G2353-I2355 VanDerWaalsContact C-N 3.26Å; G2353-I2355 PolarHBondContact O-N 3.27Å; G2353-I2355 VanDerWaalsContact O-N 3.13Å; G2353-A2356 WeakPolarHBondContact O-CB 3.36Å; G2353-A2356 PolarHBondContact O-N 2.74Å; G2353-V2357 PolarHBondContact O-N 2.77Å
2354V63.3Low68.3Low38 Ų3878.9 Ų78.923%0.2345%0.449CS..Hα-helixtrans-50.2-38.9-177.1-179.70000114W2062 F2350 G2352 A2356 V2357 Y2358W2062-V2354 HydrophobicContact CD2-CG1 3.86Å; W2062-V2354 HydrophobicContact CE3-CG1 4.5Å; W2062-V2354 HydrophobicContact CG-CG1 4.31Å; W2062-V2354 HydrophobicContact CH2-CG1 4.32Å; W2062-V2354 HydrophobicContact CZ2-CG1 3.58Å; F2350-V2354 HydrophobicContact CD1-CG2 4.48Å; G2352-V2354 PolarHBondContact O-N 2.88Å; V2354-A2356 VanDerWaalsContact C-N 3.32Å; V2354-A2356 PolarHBondContact O-N 3.27Å; V2354-V2357 WeakPolarHBondContact O-CB 3.25Å; V2354-V2357 PolarHBondContact O-N 2.99Å; V2354-Y2358 PolarHBondContact O-N 2.92Å
2355I71.1Confident69.3Low126 Ų12678.1 Ų78.165%0.64644%0.443SS*.Hα-helixtrans-64.8-34.3178.8-63.8170.2000111.9G2353 Y2358 L2359G2353-I2355 VanDerWaalsContact C-N 3.26Å; G2353-I2355 PolarHBondContact O-N 3.27Å; G2353-I2355 VanDerWaalsContact O-N 3.13Å; I2355-Y2358 WeakPolarHBondContact O-CB 3.4Å; I2355-Y2358 PolarHBondContact O-N 3.18Å; I2355-L2359 HydrophobicContact CG2-CD1 4.05Å; I2355-L2359 WeakPolarHBondContact O-CG 3.37Å; I2355-L2359 PolarHBondContact O-N 2.99Å
2356A73.4Confident70.3Confident67 Ų6775.6 Ų75.655%0.55444%0.442SS*.Hα-helixtrans-69.3-39.4175.800000111.1G2353 V2354 L2359 S2360G2353-A2356 WeakPolarHBondContact O-CB 3.36Å; G2353-A2356 PolarHBondContact O-N 2.74Å; V2354-A2356 VanDerWaalsContact C-N 3.32Å; V2354-A2356 PolarHBondContact O-N 3.27Å; A2356-L2359 PolarHBondContact O-N 3.01Å; A2356-S2360 WeakPolarHBondContact O-CB 3.37Å; A2356-S2360 PolarHBondContact O-N 3.45Å; A2356-S2360 PolarHBondContact O-OG 3.3Å
2357V68.2Low71.1Confident87 Ų8784.1 Ų84.153%0.52747%0.473SS..Hα-helixtrans-60.7-48.5173.5-176.80000110.1G2353 V2354 L2359 S2360 V2361G2353-V2357 PolarHBondContact O-N 2.77Å; V2354-V2357 WeakPolarHBondContact O-CB 3.25Å; V2354-V2357 PolarHBondContact O-N 2.99Å; V2357-L2359 PolarHBondContact O-N 3.49Å; V2357-S2360 PolarHBondContact O-N 3.44Å; V2357-S2360 PolarHBondContact O-OG 3.33Å; V2357-V2361 HydrophobicContact CG1-CG2 4.42Å; V2357-V2361 WeakPolarHBondContact O-CG2 3.49Å; V2357-V2361 PolarHBondContact O-N 3.39Å
2358Y74.1Confident71.6Confident49 Ų4984.6 Ų84.619%0.19248%0.482CS..Hα-helixtrans-53.5-53.7175.9-179.9-125.3000113.4P2058 L2059 W2062 V2354 I2355 S2360 V2361 I2362P2058-Y2358 HydrophobicContact CB-CD2 3.97Å; P2058-Y2358 HydrophobicContact CB-CE2 4.19Å; P2058-Y2358 HydrophobicContact CG-CD2 4.29Å; P2058-Y2358 HydrophobicContact CG-CE2 4.33Å; L2059-Y2358 HydrophobicContact CG-CE2 4.49Å; W2062-Y2358 AromaticContact CH2-CD2 3.47Å; W2062-Y2358 HydrophobicContact CH2-CD2 3.47Å; W2062-Y2358 VanDerWaalsContact CH2-CD2 3.47Å; W2062-Y2358 HydrophobicContact CH2-CE2 4.29Å; W2062-Y2358 AromaticContact CH2-CG 3.63Å; W2062-Y2358 HydrophobicContact CH2-CG 3.63Å; W2062-Y2358 AromaticContact CZ3-CD2 3.89Å; W2062-Y2358 HydrophobicContact CZ3-CD2 3.89Å; W2062-Y2358 HydrophobicContact CZ3-CE2 4.36Å; W2062-Y2358 AromaticContact CZ3-CG 3.98Å; W2062-Y2358 HydrophobicContact CZ3-CG 3.98Å; V2354-Y2358 PolarHBondContact O-N 2.92Å; I2355-Y2358 WeakPolarHBondContact O-CB 3.4Å; I2355-Y2358 PolarHBondContact O-N 3.18Å; Y2358-S2360 VanDerWaalsContact C-N 3.32Å; Y2358-S2360 PolarHBondContact O-N 3.13Å; Y2358-V2361 PolarHBondContact O-N 2.85Å; Y2358-I2362 HydrophobicContact CD2-CD1 3.98Å; Y2358-I2362 HydrophobicContact CD2-CG1 4.38Å; Y2358-I2362 HydrophobicContact CE1-CD1 3.98Å; Y2358-I2362 HydrophobicContact CE2-CD1 3.3Å; Y2358-I2362 HydrophobicContact CE2-CG1 4.11Å; Y2358-I2362 PolarHBondContact O-N 2.9Å; Y2358-I2362 WeakPolarHBondContact OH-CD1 3.4Å
2359L79.2Confident72Confident93 Ų9381.6 Ų81.649%0.48747%0.474SS..Hα-helixtrans-63.1-39.3-179.5-74168.4000111.3I2355 A2356 V2357 L2363I2355-L2359 HydrophobicContact CG2-CD1 4.05Å; I2355-L2359 WeakPolarHBondContact O-CG 3.37Å; I2355-L2359 PolarHBondContact O-N 2.99Å; A2356-L2359 PolarHBondContact O-N 3.01Å; V2357-L2359 PolarHBondContact O-N 3.49Å; L2359-L2363 VanDerWaalsContact O-CB 3.28Å; L2359-L2363 WeakPolarHBondContact O-CB 3.36Å; L2359-L2363 VanDerWaalsContact O-CG 3.23Å; L2359-L2363 WeakPolarHBondContact O-CG 3.47Å; L2359-L2363 PolarHBondContact O-N 3.39Å
2360S78.9Confident72.8Confident60 Ų6081 Ų8142%0.4247%0.47SS..Hα-helixtrans-62.3-44.6175.876.10000112A2356 V2357 Y2358 L2363 V2364A2356-S2360 WeakPolarHBondContact O-CB 3.37Å; A2356-S2360 PolarHBondContact O-N 3.45Å; A2356-S2360 PolarHBondContact O-OG 3.3Å; V2357-S2360 PolarHBondContact O-N 3.44Å; V2357-S2360 PolarHBondContact O-OG 3.33Å; Y2358-S2360 VanDerWaalsContact C-N 3.32Å; Y2358-S2360 PolarHBondContact O-N 3.13Å; S2360-L2363 PolarHBondContact O-N 3.26Å; S2360-V2364 WeakPolarHBondContact O-CB 3.42Å; S2360-V2364 VanDerWaalsContact O-CG2 3.23Å; S2360-V2364 WeakPolarHBondContact O-CG2 3.22Å; S2360-V2364 PolarHBondContact O-N 3.16Å
2361V75.8Confident73.7Confident61 Ų6184.4 Ų84.437%0.3748%0.481SS..Hα-helixtrans-65.8-44.8-179.9170.60000111.4F2054 V2357 Y2358 V2364 V2365F2054-V2361 HydrophobicContact CE1-CG1 3.95Å; F2054-V2361 HydrophobicContact CZ-CG1 3.52Å; V2357-V2361 HydrophobicContact CG1-CG2 4.42Å; V2357-V2361 WeakPolarHBondContact O-CG2 3.49Å; V2357-V2361 PolarHBondContact O-N 3.39Å; Y2358-V2361 PolarHBondContact O-N 2.85Å; V2361-V2364 PolarHBondContact O-N 2.69Å; V2361-V2365 PolarHBondContact O-N 3.15Å
2362I81.7Confident74.5Confident53 Ų5377 Ų7727%0.27245%0.454SS..Hα-helixtrans-65.3-41.2176.3-74.2-174.1000111.6Y2358 G2366Y2358-I2362 HydrophobicContact CD2-CD1 3.98Å; Y2358-I2362 HydrophobicContact CD2-CG1 4.38Å; Y2358-I2362 HydrophobicContact CE1-CD1 3.98Å; Y2358-I2362 HydrophobicContact CE2-CD1 3.3Å; Y2358-I2362 HydrophobicContact CE2-CG1 4.11Å; Y2358-I2362 PolarHBondContact O-N 2.9Å; Y2358-I2362 WeakPolarHBondContact OH-CD1 3.4Å; I2362-G2366 PolarHBondContact O-N 3.17Å
2363L82.3Confident75.1Confident118 Ų11880.4 Ų80.462%0.61846%0.461SS*.Hα-helixtrans-66.4-40.8177-74.3170.6000111.8L2359 S2360 R2367L2359-L2363 VanDerWaalsContact O-CB 3.28Å; L2359-L2363 WeakPolarHBondContact O-CB 3.36Å; L2359-L2363 VanDerWaalsContact O-CG 3.23Å; L2359-L2363 WeakPolarHBondContact O-CG 3.47Å; L2359-L2363 PolarHBondContact O-N 3.39Å; S2360-L2363 PolarHBondContact O-N 3.26Å; L2363-R2367 WeakPolarHBondContact O-CB 3.49Å; L2363-R2367 PolarHBondContact O-N 3.46Å
2364V81.3Confident75.8Confident99 Ų9985 Ų8560%0.647%0.465SS*.Hα-helixtrans-63.8-45.5176.5167.20000111.4S2360 V2361 G2368S2360-V2364 WeakPolarHBondContact O-CB 3.42Å; S2360-V2364 VanDerWaalsContact O-CG2 3.23Å; S2360-V2364 WeakPolarHBondContact O-CG2 3.22Å; S2360-V2364 PolarHBondContact O-N 3.16Å; V2361-V2364 PolarHBondContact O-N 2.69Å; V2364-G2368 WeakPolarHBondContact O-CA 3.48Å; V2364-G2368 PolarHBondContact O-N 3.49Å
2365V78.9Confident76.6Confident30 Ų3087.1 Ų87.118%0.18248%0.478CS..Iπ-helixtrans-74.5-40.3179.7171.50000112.4F2054 V2361 L2369 V2370F2054-V2365 HydrophobicContact CD1-CB 4.35Å; F2054-V2365 HydrophobicContact CD1-CG1 4.01Å; F2054-V2365 HydrophobicContact CE1-CB 3.61Å; F2054-V2365 HydrophobicContact CE1-CG1 3.76Å; F2054-V2365 HydrophobicContact CE1-CG2 3.57Å; F2054-V2365 HydrophobicContact CE2-CG2 4.12Å; F2054-V2365 HydrophobicContact CZ-CB 3.93Å; F2054-V2365 HydrophobicContact CZ-CG1 4.19Å; F2054-V2365 HydrophobicContact CZ-CG2 3.31Å; V2361-V2365 PolarHBondContact O-N 3.15Å; V2365-L2369 HydrophobicContact CG1-CB 4.47Å; V2365-L2369 HydrophobicContact CG1-CD1 4.29Å; V2365-L2369 HydrophobicContact CG2-CD1 4.11Å; V2365-L2369 PolarHBondContact O-N 3.43Å; V2365-V2370 HydrophobicContact CG1-CG2 4.34Å; V2365-V2370 PolarHBondContact O-N 3.04Å
2366G78.3Confident76.8Confident38 Ų3884.5 Ų84.539%0.39247%0.468SS..Iπ-helixtrans-65.5-45.4177.200000113I2362 R2371I2362-G2366 PolarHBondContact O-N 3.17Å; G2366-R2371 VanDerWaalsContact O-CB 3.22Å; G2366-R2371 WeakPolarHBondContact O-CB 3.35Å; G2366-R2371 PolarHBondContact O-N 3.43Å; G2366-R2371 VanDerWaalsContact O-N 3.08Å
2367R78.7Confident77.1Confident198 Ų19884.6 Ų84.675%0.74747%0.465SS*.Iπ-helixtrans-84.7-38.6-178.9-170.4-178.6172100.31.5113.2L2363L2363-R2367 WeakPolarHBondContact O-CB 3.49Å; L2363-R2367 PolarHBondContact O-N 3.46Å
2368G71Confident77.8Confident49 Ų4985 Ų8551%0.50547%0.469SS..Iπ-helixtrans-83.6-59.3-175.200000113.3V2364 G2372V2364-G2368 WeakPolarHBondContact O-CA 3.48Å; V2364-G2368 PolarHBondContact O-N 3.49Å; G2368-G2372 WeakPolarHBondContact O-CA 3.32Å; G2368-G2372 PolarHBondContact O-N 3.17Å
2369L70.6Confident78.2Confident111 Ų11186.5 Ų86.558%0.58149%0.487SS*.Iπ-helixtrans-82.3-63.2-175.2-68.2173.5000112.2V2365 G2372 I2373V2365-L2369 HydrophobicContact CG1-CB 4.47Å; V2365-L2369 HydrophobicContact CG1-CD1 4.29Å; V2365-L2369 HydrophobicContact CG2-CD1 4.11Å; V2365-L2369 PolarHBondContact O-N 3.43Å; L2369-G2372 PolarHBondContact O-N 2.93Å; L2369-I2373 WeakPolarHBondContact O-CD1 3.48Å; L2369-I2373 WeakPolarHBondContact O-CG1 3.41Å; L2369-I2373 PolarHBondContact O-N 3.05Å; L2369-I2373 VanDerWaalsContact O-N 3.11Å
2370V76.8Confident78.4Confident62 Ų6284.5 Ų84.538%0.37648%0.479SS..Iπ-helixtrans-65.9-53.5-170.4-179.30000110.7V2365 G2372 F2374V2365-V2370 HydrophobicContact CG1-CG2 4.34Å; V2365-V2370 PolarHBondContact O-N 3.04Å; V2370-G2372 VanDerWaalsContact C-N 3.33Å; V2370-G2372 PolarHBondContact O-N 3.45Å; V2370-F2374 HydrophobicContact CG1-CD2 4.23Å; V2370-F2374 HydrophobicContact CG1-CE2 4.14Å; V2370-F2374 WeakPolarHBondContact O-CD2 3.34Å; V2370-F2374 PolarHBondContact O-N 3.45Å
2371R79.2Confident78.7Confident158 Ų15884.9 Ų84.960%0.59648%0.478SS*.Hα-helixtrans-64.5-38.3177.4-172.8173.9-177.5137.40.5111.8G2366 I2373 F2374 T2375G2366-R2371 VanDerWaalsContact O-CB 3.22Å; G2366-R2371 WeakPolarHBondContact O-CB 3.35Å; G2366-R2371 PolarHBondContact O-N 3.43Å; G2366-R2371 VanDerWaalsContact O-N 3.08Å; R2371-I2373 PolarHBondContact O-N 3.42Å; R2371-F2374 PolarHBondContact O-N 3.33Å; R2371-T2375 HydrophobicContact CG-CG2 3.65Å; R2371-T2375 WeakPolarHBondContact O-CB 3.48Å; R2371-T2375 WeakPolarHBondContact O-CG2 3.32Å; R2371-T2375 PolarHBondContact O-N 3.25Å; R2371-T2375 PolarHBondContact O-OG1 3.15Å
2372G77Confident79.2Confident20 Ų2085.6 Ų85.621%0.20648%0.478CS..Hα-helixtrans-53.9-49.9177.700000113G2368 L2369 V2370 F2374 T2376G2368-G2372 WeakPolarHBondContact O-CA 3.32Å; G2368-G2372 PolarHBondContact O-N 3.17Å; L2369-G2372 PolarHBondContact O-N 2.93Å; V2370-G2372 VanDerWaalsContact C-N 3.33Å; V2370-G2372 PolarHBondContact O-N 3.45Å; G2372-F2374 PolarHBondContact O-N 3.22Å; G2372-T2376 WeakPolarHBondContact O-CB 3.34Å; G2372-T2376 VanDerWaalsContact O-CG2 3.3Å; G2372-T2376 WeakPolarHBondContact O-CG2 3.43Å; G2372-T2376 PolarHBondContact O-N 3.07Å; G2372-T2376 PolarHBondContact O-OG1 3.29Å
2373I74.5Confident79.3Confident114 Ų11485.9 Ų85.959%0.58548%0.478SS*.Hα-helixtrans-60.7-45.5179.8-66.6162.8000111.8L2369 R2371L2369-I2373 WeakPolarHBondContact O-CD1 3.48Å; L2369-I2373 WeakPolarHBondContact O-CG1 3.41Å; L2369-I2373 PolarHBondContact O-N 3.05Å; L2369-I2373 VanDerWaalsContact O-N 3.11Å; R2371-I2373 PolarHBondContact O-N 3.42Å
2374F78Confident79.4Confident153 Ų15382.6 Ų82.667%0.67146%0.463SS*.Hα-helixtrans-80.8-29.8-175.5-67.5-65.3000114.2V2370 R2371 G2372V2370-F2374 HydrophobicContact CG1-CD2 4.23Å; V2370-F2374 HydrophobicContact CG1-CE2 4.14Å; V2370-F2374 WeakPolarHBondContact O-CD2 3.34Å; V2370-F2374 PolarHBondContact O-N 3.45Å; R2371-F2374 PolarHBondContact O-N 3.33Å; G2372-F2374 PolarHBondContact O-N 3.22Å
2375T80Confident79.6Confident83 Ų8383.7 Ų83.751%0.50946%0.461SS..Hα-helixtrans-88.6-23.9-178600000114.4R2371R2371-T2375 HydrophobicContact CG-CG2 3.65Å; R2371-T2375 WeakPolarHBondContact O-CB 3.48Å; R2371-T2375 WeakPolarHBondContact O-CG2 3.32Å; R2371-T2375 PolarHBondContact O-N 3.25Å; R2371-T2375 PolarHBondContact O-OG1 3.15Å
2376T76Confident80.1Confident72 Ų7282.6 Ų82.644%0.44245%0.454SS..Hα-helixtrans-80.5-3517953.30000112.7G2372 S2379 T2380G2372-T2376 WeakPolarHBondContact O-CB 3.34Å; G2372-T2376 VanDerWaalsContact O-CG2 3.3Å; G2372-T2376 WeakPolarHBondContact O-CG2 3.43Å; G2372-T2376 PolarHBondContact O-N 3.07Å; G2372-T2376 PolarHBondContact O-OG1 3.29Å; T2376-S2379 WeakPolarHBondContact O-CB 3.37Å; T2376-S2379 PolarHBondContact O-N 2.94Å; T2376-S2379 PolarHBondContact O-OG 3.49Å; T2376-T2380 PolarHBondContact O-N 3.25Å
2377S78.3Confident80.4Confident69 Ų6983.7 Ų83.748%0.48346%0.455SS..Hα-helixtrans-46.9-47.2-174.9172.60000114.9S2379 T2380 V2381S2377-S2379 VanDerWaalsContact C-N 3.29Å; S2377-S2379 PolarHBondContact O-N 2.97Å; S2377-T2380 PolarHBondContact O-N 2.97Å; S2377-T2380 PolarHBondContact O-OG1 2.96Å; S2377-V2381 WeakPolarHBondContact O-CG2 3.39Å; S2377-V2381 PolarHBondContact O-N 2.93Å
2378P82.7Confident80.7Confident94 Ų9475.5 Ų75.561%0.6143%0.426SS*.Hα-helixtrans-61.4-31.3177.6-24.535.7000114.7
2379S82.3Confident81.5Confident82 Ų8273.3 Ų73.357%0.57340%0.402SS*.Hα-helixtrans-76.7-25.2179.7680000113.1T2376 S2377T2376-S2379 WeakPolarHBondContact O-CB 3.37Å; T2376-S2379 PolarHBondContact O-N 2.94Å; T2376-S2379 PolarHBondContact O-OG 3.49Å; S2377-S2379 VanDerWaalsContact C-N 3.29Å; S2377-S2379 PolarHBondContact O-N 2.97Å
2380T84.1Confident82.1Confident51 Ų5169.8 Ų69.831%0.31338%0.384SS..Hα-helixtrans-89.8-8.9179.9500000113.9T2376 S2377 M2382 F2383 T2384T2376-T2380 PolarHBondContact O-N 3.25Å; S2377-T2380 PolarHBondContact O-N 2.97Å; S2377-T2380 PolarHBondContact O-OG1 2.96Å; T2380-M2382 PolarHBondContact O-N 3.3Å; T2380-M2382 VanDerWaalsContact O-N 3.11Å; T2380-F2383 PolarHBondContact O-N 3.04Å; T2380-T2384 PolarHBondContact O-N 2.98Å; T2380-T2384 PolarHBondContact O-OG1 2.93Å
2381V85.6Confident82.3Confident68 Ų6867.5 Ų67.541%0.41237%0.37SS..Hα-helixtrans-51.7-39.5-175.9176.60000112.7S2377 F2383 T2384 E2385S2377-V2381 WeakPolarHBondContact O-CG2 3.39Å; S2377-V2381 PolarHBondContact O-N 2.93Å; V2381-F2383 PolarHBondContact O-N 2.97Å; V2381-F2383 VanDerWaalsContact O-N 3.14Å; V2381-T2384 WeakPolarHBondContact CA-OG1 3.16Å; V2381-T2384 PolarHBondContact O-N 3.28Å; V2381-E2385 HydrophobicContact CG1-CB 4.31Å; V2381-E2385 HydrophobicContact CG1-CG 4.11Å; V2381-E2385 PolarHBondContact O-N 2.97Å
2382M85.6Confident82.7Confident76 Ų7660 Ų6037%0.37434%0.341SS..Hα-helixtrans-60.6-21.7179.167.3-177-78.900114.2T2380 P2425 L2428T2380-M2382 PolarHBondContact O-N 3.3Å; T2380-M2382 VanDerWaalsContact O-N 3.11Å; M2382-P2425 HydrophobicContact CE-CB 3.73Å; M2382-P2425 HydrophobicContact CE-CG 3.96Å; M2382-L2428 WeakPolarHBondContact O-CD2 3.23Å
2383F84.5Confident83.2Confident59 Ų5959.3 Ų59.326%0.25933%0.333SS..Hα-helixtrans-107-25.7177.5-50.8-58.4000112.8H2013 I2017 T2380 V2381 L2386 F2422 L2428H2013-F2383 PolarHBondContact CE1-O 3.04Å; I2017-F2383 WeakPolarHBondContact CD1-O 3.35Å; T2380-F2383 PolarHBondContact O-N 3.04Å; V2381-F2383 PolarHBondContact O-N 2.97Å; V2381-F2383 VanDerWaalsContact O-N 3.14Å; F2383-L2386 WeakPolarHBondContact O-CD1 3.45Å; F2383-L2386 WeakPolarHBondContact O-CG 3.32Å; F2383-F2422 AromaticContact CD1-CD1 3.71Å; F2383-F2422 HydrophobicContact CD1-CD1 3.71Å; F2383-F2422 AromaticContact CD1-CE1 3.96Å; F2383-F2422 HydrophobicContact CD1-CE1 3.96Å; F2383-F2422 AromaticContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CE1 4.42Å; F2383-L2428 HydrophobicContact CD1-CD2 4.05Å; F2383-L2428 HydrophobicContact CE1-CD2 4.35Å
2384T84.4Confident83.5Confident49 Ų4954.6 Ų54.630%0.30131%0.308SS..Hα-helixtrans-87.8-34.7-176.658.20000113.4T2380 V2381 L2386T2380-T2384 PolarHBondContact O-N 2.98Å; T2380-T2384 PolarHBondContact O-OG1 2.93Å; V2381-T2384 WeakPolarHBondContact CA-OG1 3.16Å; V2381-T2384 PolarHBondContact O-N 3.28Å; T2384-L2386 VanDerWaalsContact C-N 3.28Å; T2384-L2386 PolarHBondContact O-N 3.04Å
2385E85.9Confident83.9Confident122 Ų12247.7 Ų47.757%0.5728%0.278SS*.  trans-93.642.3-176.5-66.5-63.417500113.5R2021 V2381R2021-E2385 IonicContact CZ-OE2 3.26Å; R2021-E2385 IonicContact NH2-OE2 3.5Å; R2021-E2385 PolarHBondContact NH2-OE2 2.91Å; V2381-E2385 HydrophobicContact CG1-CB 4.31Å; V2381-E2385 HydrophobicContact CG1-CG 4.11Å; V2381-E2385 PolarHBondContact O-N 2.97Å
2386L88.3Confident84.3Confident6 Ų643.7 Ų43.73%0.03125%0.254CS..  trans-77.3126.7172.2-57.1177.1000109.4I2017 R2021 F2383 T2384 L2392 L2428 T2432I2017-L2386 HydrophobicContact CD1-CD1 4.16Å; R2021-L2386 PolarHBondContact NE-O 3.03Å; R2021-L2386 VanDerWaalsContact NE-O 3.11Å; R2021-L2386 PolarHBondContact NH2-O 3.35Å; F2383-L2386 WeakPolarHBondContact O-CD1 3.45Å; F2383-L2386 WeakPolarHBondContact O-CG 3.32Å; T2384-L2386 VanDerWaalsContact C-N 3.28Å; T2384-L2386 PolarHBondContact O-N 3.04Å; L2386-L2392 HydrophobicContact CD1-CD1 3.58Å; L2386-L2428 HydrophobicContact CD1-CD1 4.14Å; L2386-L2428 HydrophobicContact CD2-CD1 3.84Å; L2386-L2428 HydrophobicContact CD2-CD2 4.18Å; L2386-L2428 HydrophobicContact CD2-CG 3.89Å; L2386-T2432 HydrophobicContact CD2-CG2 4.29Å
2387P85.6Confident84.6Confident62 Ų6242.4 Ų42.440%0.40324%0.244SC..SBendtrans-83.2-35.7-17625.9-24.2000112.8T2432 M2434P2387-T2432 WeakPolarHBondContact CD-O 3.4Å; P2387-T2432 VanDerWaalsContact CG-O 3.29Å; P2387-T2432 WeakPolarHBondContact CG-O 3.39Å; P2387-M2434 HydrophobicContact CB-CG 3.97Å
2388N84.4Confident84.8Confident26 Ų2640.3 Ų40.314%0.13923%0.227CC..  trans-122.2117.7166.3-177.39000110.2D2390 H2391 T2432 M2434N2388-D2390 VanDerWaalsContact OD1-CB 3.28Å; N2388-D2390 WeakPolarHBondContact OD1-CB 3.43Å; N2388-D2390 VanDerWaalsContact OD1-CG 3.24Å; N2388-D2390 PolarHBondContact OD1-N 3.24Å; N2388-H2391 PolarHBondContact ND2-NE2 3Å; N2388-T2432 WeakPolarHBondContact CB-O 3.39Å; N2388-T2432 PolarHBondContact N-O 3Å; N2388-T2432 WeakPolarHBondContact O-CB 3.36Å; N2388-T2432 WeakPolarHBondContact O-CG2 3.49Å; N2388-M2434 HydrophobicContact CB-SD 4.36Å
2389A86.8Confident85Confident2 Ų235.8 Ų35.82%0.01720%0.198CC..  trans-96.7-4-179.900000113.3I2014 I2017 H2391 L2392 L2393I2014-A2389 HydrophobicContact CG2-CB 4.31Å; I2017-A2389 HydrophobicContact CB-CB 4.37Å; I2017-A2389 HydrophobicContact CG2-CB 3.95Å; A2389-H2391 PolarHBondContact O-N 3.47Å; A2389-L2392 PolarHBondContact O-N 3Å; A2389-L2393 PolarHBondContact O-N 2.99Å
2390D83.1Confident85.1Confident37 Ų3733.4 Ų33.420%0.19818%0.176CC..Hα-helixtrans-71.2-35.9-164.2-63.6-0.9000112.5L1413 K2018 N2388 L2392 L2393 K2394L1413-D2390 HydrophobicContact CD2-CB 3.85Å; K2018-D2390 WeakPolarHBondContact CD-OD1 3.16Å; K2018-D2390 WeakPolarHBondContact CE-OD1 3.42Å; K2018-D2390 IonicContact NZ-OD1 3.67Å; K2018-D2390 PolarHBondContact NZ-OD1 3.01Å; K2018-D2390 IonicContact NZ-OD2 3.03Å; K2018-D2390 PolarHBondContact NZ-OD2 3.36Å; N2388-D2390 VanDerWaalsContact OD1-CB 3.28Å; N2388-D2390 WeakPolarHBondContact OD1-CB 3.43Å; N2388-D2390 VanDerWaalsContact OD1-CG 3.24Å; N2388-D2390 PolarHBondContact OD1-N 3.24Å; D2390-L2392 VanDerWaalsContact C-N 3.31Å; D2390-L2392 PolarHBondContact O-N 3.45Å; D2390-L2393 PolarHBondContact O-N 3.44Å; D2390-K2394 WeakPolarHBondContact O-CB 3.39Å; D2390-K2394 PolarHBondContact O-N 3.35Å
2391H82.3Confident84.9Confident15 Ų1531.8 Ų31.87%0.06917%0.166CC..Hα-helixtrans-64.1-35175.2-55.6-66.9000112.4N2388 A2389 I2395 W2431N2388-H2391 PolarHBondContact ND2-NE2 3Å; A2389-H2391 PolarHBondContact O-N 3.47Å; H2391-I2395 PolarHBondContact O-N 3.17Å; H2391-W2431 HydrophobicContact CB-CD2 4.25Å; H2391-W2431 HydrophobicContact CB-CE3 3.77Å; H2391-W2431 HydrophobicContact CB-CH2 3.98Å; H2391-W2431 HydrophobicContact CB-CZ2 4.44Å; H2391-W2431 HydrophobicContact CB-CZ3 3.64Å; H2391-W2431 PolarHBondContact CD2-O 3.3Å; H2391-W2431 WeakPolarHBondContact O-CZ3 3.46Å
2392L87.7Confident84.8Confident0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-72.5-42.5175.2-60.4174.9000111.3I2014 L2386 A2389 D2390 K2394 I2395 C2396 L2421 L2428 W2431 T2432I2014-L2392 HydrophobicContact CD1-CB 3.76Å; I2014-L2392 HydrophobicContact CG1-CB 4.11Å; I2014-L2392 HydrophobicContact CG1-CD1 4.42Å; I2014-L2392 HydrophobicContact CG2-CB 4.09Å; L2386-L2392 HydrophobicContact CD1-CD1 3.58Å; A2389-L2392 PolarHBondContact O-N 3Å; D2390-L2392 VanDerWaalsContact C-N 3.31Å; D2390-L2392 PolarHBondContact O-N 3.45Å; L2392-K2394 VanDerWaalsContact C-N 3.25Å; L2392-K2394 PolarHBondContact O-N 3.09Å; L2392-I2395 PolarHBondContact O-N 3.42Å; L2392-C2396 PolarHBondContact O-N 3.06Å; L2392-C2396 PolarHBondContact O-SG 3.49Å; L2392-L2421 HydrophobicContact CD2-CD1 3.93Å; L2392-L2421 HydrophobicContact CD2-CD2 3.55Å; L2392-L2421 HydrophobicContact CD2-CG 4.39Å; L2392-L2428 HydrophobicContact CD1-CD1 3.89Å; L2392-L2428 HydrophobicContact CD2-CD1 4.34Å; L2392-W2431 HydrophobicContact CD2-CE3 3.99Å; L2392-W2431 HydrophobicContact CD2-CZ3 4.04Å; L2392-T2432 HydrophobicContact CD1-CG2 3.86Å; L2392-T2432 HydrophobicContact CG-CG2 4.09Å
2393L86.2Confident84.9Confident6 Ų625.5 Ų25.53%0.03113%0.131CC..Hα-helixtrans-61.8-38.1177.1-172.360.5000111Y1966 Y2011 I2014 K2018 A2389 D2390 C2396 L2397Y1966-L2393 HydrophobicContact CE1-CD2 3.87Å; Y2011-L2393 HydrophobicContact CD2-CD1 3.87Å; Y2011-L2393 HydrophobicContact CE2-CD1 3.57Å; I2014-L2393 HydrophobicContact CG2-CB 3.78Å; I2014-L2393 HydrophobicContact CG2-CD1 4.13Å; K2018-L2393 HydrophobicContact CB-CD2 4.36Å; K2018-L2393 HydrophobicContact CG-CD2 4.08Å; A2389-L2393 PolarHBondContact O-N 2.99Å; D2390-L2393 PolarHBondContact O-N 3.44Å; L2393-C2396 PolarHBondContact O-N 2.92Å; L2393-L2397 HydrophobicContact CG-CD1 4.3Å; L2393-L2397 WeakPolarHBondContact O-CG 3.34Å; L2393-L2397 PolarHBondContact O-N 3.39Å
2394K82Confident84.5Confident15 Ų1526 Ų267%0.06513%0.133CC..Hα-helixtrans-58.9-49.1173.9179.3170.8170.4172.70112.3D1411 D1412 D2390 L2392 C2396 L2397 D2398D1411-K2394 PolarHBondContact O-NZ 2.81Å; D1412-K2394 PolarHBondContact O-NZ 3.49Å; D2390-K2394 WeakPolarHBondContact O-CB 3.39Å; D2390-K2394 PolarHBondContact O-N 3.35Å; L2392-K2394 VanDerWaalsContact C-N 3.25Å; L2392-K2394 PolarHBondContact O-N 3.09Å; K2394-C2396 VanDerWaalsContact C-N 3.28Å; K2394-C2396 PolarHBondContact O-N 3.49Å; K2394-L2397 PolarHBondContact O-N 3.49Å; K2394-L2397 VanDerWaalsContact O-N 3.13Å; K2394-D2398 WeakPolarHBondContact O-CB 3.39Å; K2394-D2398 VanDerWaalsContact O-CG 3.22Å; K2394-D2398 PolarHBondContact O-N 3.39Å
2395I85.5Confident84.3Confident7 Ų726 Ų264%0.03614%0.139CC..Hα-helixtrans-55-45.6174.1-64.6179.2000110.8H2391 L2392 L2397 D2398 I2399 L2418 W2431H2391-I2395 PolarHBondContact O-N 3.17Å; L2392-I2395 PolarHBondContact O-N 3.42Å; I2395-L2397 VanDerWaalsContact C-N 3.34Å; I2395-L2397 PolarHBondContact O-N 3.04Å; I2395-D2398 PolarHBondContact O-N 3.12Å; I2395-I2399 HydrophobicContact CG2-CD1 3.86Å; I2395-I2399 HydrophobicContact CG2-CG1 4.34Å; I2395-I2399 VanDerWaalsContact O-CG1 3.31Å; I2395-I2399 WeakPolarHBondContact O-CG1 3.42Å; I2395-I2399 PolarHBondContact O-N 3.44Å; I2395-L2418 HydrophobicContact CB-CD1 4.34Å; I2395-L2418 HydrophobicContact CD1-CD1 4.45Å; I2395-L2418 HydrophobicContact CG2-CB 4.14Å; I2395-L2418 HydrophobicContact CG2-CD1 4.07Å; I2395-W2431 HydrophobicContact CD1-CH2 3.42Å; I2395-W2431 VanDerWaalsContact CD1-CH2 3.42Å; I2395-W2431 HydrophobicContact CD1-CZ3 3.53Å; I2395-W2431 HydrophobicContact CG1-CH2 3.74Å; I2395-W2431 HydrophobicContact CG1-CZ3 4.07Å
2396C88.1Confident84.2Confident0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-62.7-40.4-179.8-61.70000112.5Y2011 L2392 L2393 K2394 I2399 Y2400Y2011-C2396 HydrophobicContact CD2-CB 3.66Å; Y2011-C2396 HydrophobicContact CG-CB 4.41Å; L2392-C2396 PolarHBondContact O-N 3.06Å; L2392-C2396 PolarHBondContact O-SG 3.49Å; L2393-C2396 PolarHBondContact O-N 2.92Å; K2394-C2396 VanDerWaalsContact C-N 3.28Å; K2394-C2396 PolarHBondContact O-N 3.49Å; C2396-I2399 PolarHBondContact O-N 3Å; C2396-Y2400 WeakPolarHBondContact O-CD2 3.39Å; C2396-Y2400 PolarHBondContact O-N 2.72Å
2397L82.4Confident84.1Confident45 Ų4526.8 Ų26.824%0.23614%0.141CC..Hα-helixtrans-67.2-39.6175-68.6173000112.3Y2011 L2393 K2394 I2395 I2399 Y2400 L2401Y2011-L2397 HydrophobicContact CE2-CD2 4.4Å; L2393-L2397 HydrophobicContact CG-CD1 4.3Å; L2393-L2397 WeakPolarHBondContact O-CG 3.34Å; L2393-L2397 PolarHBondContact O-N 3.39Å; K2394-L2397 PolarHBondContact O-N 3.49Å; K2394-L2397 VanDerWaalsContact O-N 3.13Å; I2395-L2397 VanDerWaalsContact C-N 3.34Å; I2395-L2397 PolarHBondContact O-N 3.04Å; L2397-I2399 VanDerWaalsContact C-N 3.34Å; L2397-I2399 PolarHBondContact O-N 3.47Å; L2397-Y2400 HydrophobicContact CD2-CD2 4.48Å; L2397-Y2400 PolarHBondContact O-N 3.41Å; L2397-L2401 WeakPolarHBondContact O-CB 3.17Å; L2397-L2401 PolarHBondContact O-N 3.06Å
2398D83.7Confident84.2Confident24 Ų2427.1 Ų27.113%0.12814%0.136CC..Hα-helixtrans-62-41175.1-68-23.4000110.6I1370 K2394 I2395 Y2400 L2401 V2402 L2414I1370-D2398 HydrophobicContact CD1-CB 4.05Å; K2394-D2398 WeakPolarHBondContact O-CB 3.39Å; K2394-D2398 VanDerWaalsContact O-CG 3.22Å; K2394-D2398 PolarHBondContact O-N 3.39Å; I2395-D2398 PolarHBondContact O-N 3.12Å; D2398-Y2400 PolarHBondContact O-N 3.29Å; D2398-L2401 PolarHBondContact O-N 2.98Å; D2398-V2402 VanDerWaalsContact O-CB 3.27Å; D2398-V2402 WeakPolarHBondContact O-CB 3.35Å; D2398-V2402 WeakPolarHBondContact O-CG2 3.36Å; D2398-V2402 PolarHBondContact O-N 3.45Å; D2398-L2414 HydrophobicContact CB-CD1 4.15Å
2399I87.4Confident84.2Confident0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-62-42.5174.3-64.8165.3000111.5M1999 M2007 I2395 C2396 L2397 R2403 E2411 L2414 F2415 L2418M1999-I2399 HydrophobicContact CE-CG2 3.68Å; M2007-I2399 HydrophobicContact CE-CB 3.82Å; M2007-I2399 HydrophobicContact CE-CG2 3.38Å; I2395-I2399 HydrophobicContact CG2-CD1 3.86Å; I2395-I2399 HydrophobicContact CG2-CG1 4.34Å; I2395-I2399 VanDerWaalsContact O-CG1 3.31Å; I2395-I2399 WeakPolarHBondContact O-CG1 3.42Å; I2395-I2399 PolarHBondContact O-N 3.44Å; C2396-I2399 PolarHBondContact O-N 3Å; L2397-I2399 VanDerWaalsContact C-N 3.34Å; L2397-I2399 PolarHBondContact O-N 3.47Å; I2399-R2403 WeakPolarHBondContact O-CB 3.26Å; I2399-R2403 PolarHBondContact O-N 3.1Å; I2399-E2411 HydrophobicContact CG2-CG 4.25Å; I2399-L2414 HydrophobicContact CD1-CB 4.22Å; I2399-L2414 HydrophobicContact CG1-CB 3.62Å; I2399-L2414 HydrophobicContact CG1-CD1 4.29Å; I2399-F2415 HydrophobicContact CD1-CB 4.41Å; I2399-L2418 HydrophobicContact CD1-CD2 4.26Å
2400Y83.6Confident84.2Confident31 Ų3132.9 Ų32.912%0.12216%0.164CC..Hα-helixtrans-64.3-40.8175.5-68.9-60.5000112.4M2007 E2008 Y2011 C2396 L2397 D2398 R2403 E2404M2007-Y2400 HydrophobicContact CE-CD1 3.85Å; M2007-Y2400 HydrophobicContact CE-CD2 4.34Å; M2007-Y2400 HydrophobicContact CE-CE1 3.6Å; M2007-Y2400 HydrophobicContact CE-CE2 4.12Å; M2007-Y2400 HydrophobicContact CE-CG 4.2Å; M2007-Y2400 HydrophobicContact SD-CE1 4.12Å; E2008-Y2400 PolarHBondContact OE1-OH 2.88Å; E2008-Y2400 PolarHBondContact OE2-OH 3.12Å; Y2011-Y2400 HydrophobicContact CD1-CE2 4.24Å; Y2011-Y2400 WeakPolarHBondContact CD1-OH 3.4Å; Y2011-Y2400 AromaticContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CE1-CE2 4.34Å; Y2011-Y2400 HydrophobicContact CE2-CE2 4.01Å; Y2011-Y2400 HydrophobicContact CG-CE2 4.03Å; C2396-Y2400 WeakPolarHBondContact O-CD2 3.39Å; C2396-Y2400 PolarHBondContact O-N 2.72Å; L2397-Y2400 HydrophobicContact CD2-CD2 4.48Å; L2397-Y2400 PolarHBondContact O-N 3.41Å; D2398-Y2400 PolarHBondContact O-N 3.29Å; Y2400-R2403 PolarHBondContact O-N 3.3Å; Y2400-E2404 PolarHBondContact O-N 3.48Å
2401L79.2Confident84.5Confident17 Ų1731.1 Ų31.19%0.08916%0.155CC..Hα-helixtrans-66.9-43.6179.6-177.6152.8000111.5I1363 R1366 T1367 I1370 L2397 D2398 R2403 E2404 A2405I1363-L2401 HydrophobicContact CG2-CD1 4.3Å; I1363-L2401 HydrophobicContact CG2-CG 4.21Å; R1366-L2401 HydrophobicContact CB-CD1 4.37Å; T1367-L2401 VanDerWaalsContact OG1-CD2 3.24Å; T1367-L2401 WeakPolarHBondContact OG1-CD2 3.41Å; I1370-L2401 HydrophobicContact CD1-CD2 4.2Å; L2397-L2401 WeakPolarHBondContact O-CB 3.17Å; L2397-L2401 PolarHBondContact O-N 3.06Å; D2398-L2401 PolarHBondContact O-N 2.98Å; L2401-R2403 VanDerWaalsContact C-N 3.32Å; L2401-R2403 PolarHBondContact O-N 3.23Å; L2401-E2404 PolarHBondContact O-N 3.31Å; L2401-A2405 WeakPolarHBondContact O-CB 3.23Å; L2401-A2405 PolarHBondContact O-N 3.3Å
2402V84Confident84.7Confident0 Ų032.5 Ų32.50%016%0.161CC..Hα-helixtrans-63.9-36.1175.5166.30000111.8D2398 A2405 K2406 D2407 L2410 E2411 L2414D2398-V2402 VanDerWaalsContact O-CB 3.27Å; D2398-V2402 WeakPolarHBondContact O-CB 3.35Å; D2398-V2402 WeakPolarHBondContact O-CG2 3.36Å; D2398-V2402 PolarHBondContact O-N 3.45Å; V2402-A2405 CarbonylContact O-C 3.57Å; V2402-A2405 PolarHBondContact O-N 2.7Å; V2402-K2406 PolarHBondContact O-N 2.85Å; V2402-K2406 VanDerWaalsContact O-N 3.13Å; V2402-D2407 HydrophobicContact CG1-CB 4.17Å; V2402-D2407 WeakPolarHBondContact CG1-O 3.31Å; V2402-D2407 PolarHBondContact O-N 2.91Å; V2402-D2407 VanDerWaalsContact O-N 3.11Å; V2402-L2410 HydrophobicContact CG1-CB 3.79Å; V2402-L2410 HydrophobicContact CG1-CD2 4.14Å; V2402-L2410 HydrophobicContact CG1-CG 3.95Å; V2402-L2410 HydrophobicContact CG2-CD2 3.69Å; V2402-L2410 HydrophobicContact CG2-CG 4.03Å; V2402-E2411 HydrophobicContact CG1-CB 4.15Å; V2402-L2414 HydrophobicContact CG2-CD1 4.04Å
2403R86.8Confident84.6Confident13 Ų1334 Ų345%0.04917%0.169CC..Hα-helixtrans-64.9-46.5172.5-175.5-174.7-64.2158.6-2.8112.4T1995 D1996 F2004 I2399 Y2400 L2401 A2405 K2406 E2411T1995-R2403 HydrophobicContact CG2-CG 4.19Å; D1996-R2403 WeakPolarHBondContact O-CG 3.33Å; F2004-R2403 VanDerWaalsContact CE2-CZ 3.48Å; I2399-R2403 WeakPolarHBondContact O-CB 3.26Å; I2399-R2403 PolarHBondContact O-N 3.1Å; Y2400-R2403 PolarHBondContact O-N 3.3Å; L2401-R2403 VanDerWaalsContact C-N 3.32Å; L2401-R2403 PolarHBondContact O-N 3.23Å; R2403-A2405 VanDerWaalsContact C-N 3.3Å; R2403-A2405 PolarHBondContact O-N 3.45Å; R2403-K2406 PolarHBondContact O-N 3.02Å; R2403-E2411 IonicContact CZ-OE1 2.8Å; R2403-E2411 IonicContact NE-OE1 3.28Å; R2403-E2411 PolarHBondContact NE-OE1 2.98Å; R2403-E2411 IonicContact NH2-OE1 3.48Å; R2403-E2411 PolarHBondContact NH2-OE1 2.82Å; R2403-E2411 VanDerWaalsContact NH2-OE1 3.15Å
2404E76.9Confident84.7Confident68 Ų6834.2 Ų34.232%0.31817%0.17SC..Hα-helixtrans-64.9-33.7175.2-78.9-151.5159.400112.4L1956 C1957 I1958 Y2400 L2401 K2406L1956-E2404 VanDerWaalsContact CD2-OE2 3.23Å; L1956-E2404 WeakPolarHBondContact CD2-OE2 3.46Å; L1956-E2404 WeakPolarHBondContact CG-OE2 3.38Å; C1957-E2404 PolarHBondContact N-OE1 3.07Å; C1957-E2404 VanDerWaalsContact N-OE1 3.16Å; I1958-E2404 HydrophobicContact CD1-CB 4.48Å; I1958-E2404 HydrophobicContact CD1-CG 4.2Å; I1958-E2404 HydrophobicContact CG1-CG 3.91Å; I1958-E2404 WeakPolarHBondContact CG1-OE2 3.07Å; Y2400-E2404 PolarHBondContact O-N 3.48Å; L2401-E2404 PolarHBondContact O-N 3.31Å; E2404-K2406 PolarHBondContact O-N 2.95Å
2405A80.1Confident85.1Confident51 Ų5133.5 Ų33.542%0.42117%0.167SC..THydrogen-bonded Turntrans-72.3-6.5172.400000114.3T1367 L2401 V2402 R2403 D2407T1367-A2405 HydrophobicContact CG2-CB 3.8Å; L2401-A2405 WeakPolarHBondContact O-CB 3.23Å; L2401-A2405 PolarHBondContact O-N 3.3Å; V2402-A2405 CarbonylContact O-C 3.57Å; V2402-A2405 PolarHBondContact O-N 2.7Å; R2403-A2405 VanDerWaalsContact C-N 3.3Å; R2403-A2405 PolarHBondContact O-N 3.45Å; A2405-D2407 VanDerWaalsContact C-N 3.31Å; A2405-D2407 PolarHBondContact O-N 3.37Å
2406K84.4Confident85.1Confident124 Ų12433.3 Ų33.354%0.53917%0.167SC..THydrogen-bonded Turntrans60.128.7-178.1-49.2-164.9-177.4-157.90115.2D1996 V2402 R2403 E2404 F2408D1996-K2406 WeakPolarHBondContact OD2-CE 3.33Å; D1996-K2406 IonicContact OD2-NZ 3.43Å; D1996-K2406 PolarHBondContact OD2-NZ 3.42Å; V2402-K2406 PolarHBondContact O-N 2.85Å; V2402-K2406 VanDerWaalsContact O-N 3.13Å; R2403-K2406 PolarHBondContact O-N 3.02Å; E2404-K2406 PolarHBondContact O-N 2.95Å; K2406-F2408 HydrophobicContact CB-CE2 4.28Å; K2406-F2408 HydrophobicContact CB-CZ 3.99Å; K2406-F2408 HydrophobicContact CG-CZ 4.45Å; K2406-F2408 PolarHBondContact O-N 3.35Å
2407D85.6Confident85.1Confident20 Ų2033.7 Ų33.711%0.10717%0.168CC..  trans-92.280.8173.9-171.8-6000111.1R1371 V2402 A2405 M2409 L2410 E2411R1371-D2407 IonicContact CZ-OD2 3.28Å; R1371-D2407 VanDerWaalsContact CZ-OD2 3.28Å; R1371-D2407 IonicContact NE-OD2 3.03Å; R1371-D2407 PolarHBondContact NE-OD2 2.89Å; R1371-D2407 IonicContact NH2-OD2 2.69Å; R1371-D2407 PolarHBondContact NH2-OD2 3.22Å; V2402-D2407 HydrophobicContact CG1-CB 4.17Å; V2402-D2407 WeakPolarHBondContact CG1-O 3.31Å; V2402-D2407 PolarHBondContact O-N 2.91Å; V2402-D2407 VanDerWaalsContact O-N 3.11Å; A2405-D2407 VanDerWaalsContact C-N 3.31Å; A2405-D2407 PolarHBondContact O-N 3.37Å; D2407-M2409 VanDerWaalsContact C-N 3.34Å; D2407-M2409 PolarHBondContact O-N 3.42Å; D2407-L2410 HydrophobicContact CB-CB 4.47Å; D2407-L2410 PolarHBondContact O-N 3.12Å; D2407-E2411 PolarHBondContact O-N 3.42Å; D2407-E2411 VanDerWaalsContact O-N 3.16Å
2408F87.4Confident85.4Confident68 Ų6831.5 Ų31.530%0.29816%0.157SC..Hα-helixtrans-69.2-22.3-170.4-60.8-51.3000115.5D1996 S1998 K2406 Q2412D1996-F2408 HydrophobicContact CB-CE1 4.41Å; D1996-F2408 HydrophobicContact CB-CZ 3.89Å; D1996-F2408 WeakPolarHBondContact O-CE1 3.28Å; S1998-F2408 PolarHBondContact OG-O 3.03Å; K2406-F2408 HydrophobicContact CB-CE2 4.28Å; K2406-F2408 HydrophobicContact CB-CZ 3.99Å; K2406-F2408 HydrophobicContact CG-CZ 4.45Å; K2406-F2408 PolarHBondContact O-N 3.35Å; F2408-Q2412 WeakPolarHBondContact O-CG 3.33Å; F2408-Q2412 PolarHBondContact O-N 3.47Å
2409M85.4Confident85.7Confident143 Ų14332.2 Ų32.270%0.70416%0.16SC*.Hα-helixtrans-71.7-47.5176.3-64.8-168.2-61.200110D2407 E2411 Q2412 D2413D2407-M2409 VanDerWaalsContact C-N 3.34Å; D2407-M2409 PolarHBondContact O-N 3.42Å; M2409-E2411 PolarHBondContact O-N 3.01Å; M2409-Q2412 PolarHBondContact O-N 3.2Å; M2409-Q2412 VanDerWaalsContact O-N 3.09Å; M2409-D2413 PolarHBondContact O-N 3.09Å; M2409-D2413 VanDerWaalsContact O-N 3.1Å
2410L86.7Confident85.8Confident7 Ų733.3 Ų33.34%0.03717%0.165CC..Hα-helixtrans-63.2-30.6176.4-172.661000112.2I1370 R1371 Y1374 V2402 D2407 L2414I1370-L2410 HydrophobicContact CB-CD2 4.5Å; I1370-L2410 HydrophobicContact CG2-CD1 4.3Å; I1370-L2410 HydrophobicContact CG2-CD2 3.93Å; I1370-L2410 HydrophobicContact CG2-CG 4.41Å; R1371-L2410 HydrophobicContact CB-CD2 4.33Å; Y1374-L2410 HydrophobicContact CD1-CD1 4.12Å; Y1374-L2410 HydrophobicContact CD2-CD1 4.5Å; Y1374-L2410 HydrophobicContact CG-CD1 3.88Å; V2402-L2410 HydrophobicContact CG1-CB 3.79Å; V2402-L2410 HydrophobicContact CG1-CD2 4.14Å; V2402-L2410 HydrophobicContact CG1-CG 3.95Å; V2402-L2410 HydrophobicContact CG2-CD2 3.69Å; V2402-L2410 HydrophobicContact CG2-CG 4.03Å; D2407-L2410 HydrophobicContact CB-CB 4.47Å; D2407-L2410 PolarHBondContact O-N 3.12Å; L2410-L2414 HydrophobicContact CD1-CD1 4.41Å; L2410-L2414 HydrophobicContact CD1-CG 4.21Å; L2410-L2414 HydrophobicContact CG-CD1 4.16Å; L2410-L2414 HydrophobicContact CG-CG 4.4Å; L2410-L2414 WeakPolarHBondContact O-CB 3.4Å; L2410-L2414 VanDerWaalsContact O-CG 3.28Å; L2410-L2414 WeakPolarHBondContact O-CG 3.42Å; L2410-L2414 PolarHBondContact O-N 2.69Å
2411E88.6Confident86Confident0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-58.9-46.8171179.5-176.9-141.800111.8T1997 S1998 M1999 I2399 V2402 R2403 D2407 M2409 F2415T1997-E2411 VanDerWaalsContact OG1-CD 3.28Å; T1997-E2411 PolarHBondContact OG1-OE1 2.97Å; T1997-E2411 PolarHBondContact OG1-OE2 3.19Å; S1998-E2411 PolarHBondContact N-OE2 3.1Å; S1998-E2411 PolarHBondContact OG-OE2 3.43Å; M1999-E2411 HydrophobicContact CE-CG 3.47Å; M1999-E2411 VanDerWaalsContact CE-CG 3.47Å; M1999-E2411 HydrophobicContact CG-CG 4.32Å; I2399-E2411 HydrophobicContact CG2-CG 4.25Å; V2402-E2411 HydrophobicContact CG1-CB 4.15Å; R2403-E2411 IonicContact CZ-OE1 2.8Å; R2403-E2411 IonicContact NE-OE1 3.28Å; R2403-E2411 PolarHBondContact NE-OE1 2.98Å; R2403-E2411 IonicContact NH2-OE1 3.48Å; R2403-E2411 PolarHBondContact NH2-OE1 2.82Å; R2403-E2411 VanDerWaalsContact NH2-OE1 3.15Å; D2407-E2411 PolarHBondContact O-N 3.42Å; D2407-E2411 VanDerWaalsContact O-N 3.16Å; M2409-E2411 PolarHBondContact O-N 3.01Å; E2411-F2415 WeakPolarHBondContact O-CB 3.39Å; E2411-F2415 PolarHBondContact O-N 3.21Å
2412Q87.6Confident86.4Confident43 Ų4332 Ų3220%0.20116%0.159CC..Hα-helixtrans-68.9-41-178.8-65.2174.72700111.7Y1392 S1998 F2408 M2409 F2415 A2416Y1392-Q2412 HydrophobicContact CD2-CG 3.92Å; Y1392-Q2412 HydrophobicContact CE2-CG 4.03Å; S1998-Q2412 VanDerWaalsContact CB-NE2 3.31Å; S1998-Q2412 WeakPolarHBondContact OG-CG 3.44Å; S1998-Q2412 PolarHBondContact OG-NE2 2.64Å; F2408-Q2412 WeakPolarHBondContact O-CG 3.33Å; F2408-Q2412 PolarHBondContact O-N 3.47Å; M2409-Q2412 PolarHBondContact O-N 3.2Å; M2409-Q2412 VanDerWaalsContact O-N 3.09Å; Q2412-F2415 PolarHBondContact O-N 3.03Å; Q2412-A2416 PolarHBondContact O-N 2.8Å
2413D85.3Confident86.6Confident33 Ų3341.2 Ų41.218%0.17619%0.194CC..Hα-helixtrans-70.6-41.5-177.5-79.2-24000113.3Y1374 M2409 F2415 A2416 K2417Y1374-D2413 HydrophobicContact CE1-CB 3.72Å; Y1374-D2413 WeakPolarHBondContact CE1-OD2 3.4Å; Y1374-D2413 HydrophobicContact CE2-CB 4.01Å; Y1374-D2413 VanDerWaalsContact CZ-CB 3.45Å; Y1374-D2413 WeakPolarHBondContact OH-CB 3.5Å; M2409-D2413 PolarHBondContact O-N 3.09Å; M2409-D2413 VanDerWaalsContact O-N 3.1Å; D2413-F2415 VanDerWaalsContact C-N 3.29Å; D2413-F2415 PolarHBondContact O-N 3.44Å; D2413-A2416 PolarHBondContact O-N 3.09Å; D2413-K2417 PolarHBondContact O-N 3.49Å
2414L87.7Confident86.7Confident10 Ų1041.2 Ų41.25%0.05220%0.196CC..Hα-helixtrans-65.3-34.2172.4-72.1176.7000111.8I1370 D2398 I2399 V2402 L2410 K2417 L2418I1370-L2414 HydrophobicContact CG2-CD1 4.18Å; D2398-L2414 HydrophobicContact CB-CD1 4.15Å; I2399-L2414 HydrophobicContact CD1-CB 4.22Å; I2399-L2414 HydrophobicContact CG1-CB 3.62Å; I2399-L2414 HydrophobicContact CG1-CD1 4.29Å; V2402-L2414 HydrophobicContact CG2-CD1 4.04Å; L2410-L2414 HydrophobicContact CD1-CD1 4.41Å; L2410-L2414 HydrophobicContact CD1-CG 4.21Å; L2410-L2414 HydrophobicContact CG-CD1 4.16Å; L2410-L2414 HydrophobicContact CG-CG 4.4Å; L2410-L2414 WeakPolarHBondContact O-CB 3.4Å; L2410-L2414 VanDerWaalsContact O-CG 3.28Å; L2410-L2414 WeakPolarHBondContact O-CG 3.42Å; L2410-L2414 PolarHBondContact O-N 2.69Å; L2414-K2417 WeakPolarHBondContact O-CB 3.47Å; L2414-K2417 PolarHBondContact O-N 2.88Å; L2414-L2418 PolarHBondContact O-N 3.31Å
2415F89.6Confident87.1Confident0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-70.8-38.3174.5-178.8-114.9000112.7M1999 D2003 M2007 I2399 E2411 Q2412 D2413 K2417 L2418 I2419M1999-F2415 HydrophobicContact CE-CB 3.54Å; M1999-F2415 HydrophobicContact CE-CD1 4.36Å; M1999-F2415 HydrophobicContact CE-CD2 4.01Å; M1999-F2415 HydrophobicContact CE-CG 3.72Å; M1999-F2415 HydrophobicContact SD-CD1 4.29Å; M1999-F2415 HydrophobicContact SD-CD2 4.18Å; M1999-F2415 HydrophobicContact SD-CE2 4.48Å; M1999-F2415 HydrophobicContact SD-CG 4.08Å; D2003-F2415 HydrophobicContact CB-CE1 3.59Å; D2003-F2415 HydrophobicContact CB-CZ 3.66Å; D2003-F2415 WeakPolarHBondContact O-CZ 3.48Å; M2007-F2415 HydrophobicContact CB-CD2 4.15Å; M2007-F2415 HydrophobicContact CB-CE2 3.78Å; M2007-F2415 HydrophobicContact CG-CD2 4.33Å; M2007-F2415 HydrophobicContact CG-CE2 4.44Å; I2399-F2415 HydrophobicContact CD1-CB 4.41Å; E2411-F2415 WeakPolarHBondContact O-CB 3.39Å; E2411-F2415 PolarHBondContact O-N 3.21Å; Q2412-F2415 PolarHBondContact O-N 3.03Å; D2413-F2415 VanDerWaalsContact C-N 3.29Å; D2413-F2415 PolarHBondContact O-N 3.44Å; F2415-K2417 VanDerWaalsContact C-N 3.32Å; F2415-K2417 PolarHBondContact O-N 3.26Å; F2415-L2418 PolarHBondContact O-N 3.35Å; F2415-I2419 HydrophobicContact CD1-CD1 3.95Å; F2415-I2419 HydrophobicContact CE1-CD1 3.37Å; F2415-I2419 HydrophobicContact CE1-CG1 4.3Å; F2415-I2419 HydrophobicContact CE2-CD1 4.14Å; F2415-I2419 HydrophobicContact CE2-CG1 4.27Å; F2415-I2419 HydrophobicContact CZ-CD1 3.5Å; F2415-I2419 VanDerWaalsContact CZ-CD1 3.5Å; F2415-I2419 HydrophobicContact CZ-CG1 4.1Å; F2415-I2419 PolarHBondContact O-N 3.17Å
2416A87.3Confident87.4Confident3 Ų341.9 Ų41.93%0.02521%0.208CC..Hα-helixtrans-60.9-41.3171.100000111.8A1395 Q2412 D2413 I2419 F2420A1395-A2416 WeakPolarHBondContact O-CB 3.39Å; Q2412-A2416 PolarHBondContact O-N 2.8Å; D2413-A2416 PolarHBondContact O-N 3.09Å; A2416-I2419 PolarHBondContact O-N 3.18Å; A2416-F2420 PolarHBondContact O-N 3.16Å
2417K87.4Confident87.5Confident7 Ų736.6 Ų36.63%0.0319%0.186CC..Hα-helixtrans-58-47.2172-167.6173.4178.6171.30111.7Q1377 M1403 F1404 Y1406 D2413 L2414 F2415 F2420 L2421Q1377-K2417 VanDerWaalsContact OE1-NZ 3.09Å; M1403-K2417 HydrophobicContact CE-CB 3.67Å; M1403-K2417 HydrophobicContact CE-CD 4.26Å; M1403-K2417 HydrophobicContact CE-CG 3.98Å; M1403-K2417 WeakPolarHBondContact O-CE 3.32Å; M1403-K2417 PolarHBondContact O-NZ 2.99Å; F1404-K2417 HydrophobicContact CE1-CD 4.35Å; F1404-K2417 HydrophobicContact CE1-CG 3.54Å; F1404-K2417 HydrophobicContact CZ-CG 3.59Å; F1404-K2417 WeakPolarHBondContact CZ-O 3.49Å; Y1406-K2417 PolarHBondContact OH-NZ 2.8Å; D2413-K2417 PolarHBondContact O-N 3.49Å; L2414-K2417 WeakPolarHBondContact O-CB 3.47Å; L2414-K2417 PolarHBondContact O-N 2.88Å; F2415-K2417 VanDerWaalsContact C-N 3.32Å; F2415-K2417 PolarHBondContact O-N 3.26Å; K2417-F2420 PolarHBondContact O-N 3.39Å; K2417-L2421 PolarHBondContact O-N 3.28Å; K2417-L2421 VanDerWaalsContact O-N 3.15Å
2418L89.3Confident87.6Confident0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-61.9-46.1178.1-169.465.4000112.1F2010 I2395 I2399 L2414 F2415 L2421 F2422F2010-L2418 HydrophobicContact CB-CD2 4.43Å; F2010-L2418 HydrophobicContact CD2-CD2 4.17Å; I2395-L2418 HydrophobicContact CB-CD1 4.34Å; I2395-L2418 HydrophobicContact CD1-CD1 4.45Å; I2395-L2418 HydrophobicContact CG2-CB 4.14Å; I2395-L2418 HydrophobicContact CG2-CD1 4.07Å; I2399-L2418 HydrophobicContact CD1-CD2 4.26Å; L2414-L2418 PolarHBondContact O-N 3.31Å; F2415-L2418 PolarHBondContact O-N 3.35Å; L2418-L2421 PolarHBondContact O-N 2.79Å; L2418-F2422 HydrophobicContact CD1-CD2 4.21Å; L2418-F2422 HydrophobicContact CD1-CE2 3.81Å; L2418-F2422 HydrophobicContact CG-CD2 4.16Å; L2418-F2422 HydrophobicContact CG-CE2 4.09Å; L2418-F2422 WeakPolarHBondContact O-CD2 3.41Å; L2418-F2422 PolarHBondContact O-N 3.01Å; L2418-F2422 VanDerWaalsContact O-N 3.16Å
2419I89.6Confident87.6Confident39 Ų3938 Ų3820%0.220%0.195CC..Hα-helixtrans-60.1-46.1177.4-77.9178.3000111.6K1396 F2415 A2416 L2421 F2422 R2423K1396-I2419 HydrophobicContact CD-CD1 4.47Å; K1396-I2419 HydrophobicContact CG-CD1 4.01Å; F2415-I2419 HydrophobicContact CD1-CD1 3.95Å; F2415-I2419 HydrophobicContact CE1-CD1 3.37Å; F2415-I2419 HydrophobicContact CE1-CG1 4.3Å; F2415-I2419 HydrophobicContact CE2-CD1 4.14Å; F2415-I2419 HydrophobicContact CE2-CG1 4.27Å; F2415-I2419 HydrophobicContact CZ-CD1 3.5Å; F2415-I2419 VanDerWaalsContact CZ-CD1 3.5Å; F2415-I2419 HydrophobicContact CZ-CG1 4.1Å; F2415-I2419 PolarHBondContact O-N 3.17Å; A2416-I2419 PolarHBondContact O-N 3.18Å; I2419-L2421 VanDerWaalsContact C-N 3.31Å; I2419-L2421 PolarHBondContact O-N 3.36Å; I2419-F2422 PolarHBondContact O-N 2.69Å; I2419-R2423 WeakPolarHBondContact O-CB 3.29Å; I2419-R2423 PolarHBondContact O-N 2.95Å
2420F88.9Confident87.5Confident23 Ų2338.4 Ų38.410%0.10120%0.196CC..Hα-helixtrans-62.2-41.7-179.6-176.7-86.8000111.6G1399 Y1401 F1404 A2416 K2417 F2422 R2423 S2424G1399-F2420 WeakPolarHBondContact O-CD2 3.44Å; G1399-F2420 VanDerWaalsContact O-CE2 3.26Å; G1399-F2420 WeakPolarHBondContact O-CE2 3.21Å; Y1401-F2420 HydrophobicContact CD1-CE1 4.09Å; Y1401-F2420 HydrophobicContact CD1-CZ 4.06Å; Y1401-F2420 AromaticContact CD2-CZ 3.92Å; Y1401-F2420 HydrophobicContact CD2-CZ 3.92Å; Y1401-F2420 HydrophobicContact CE1-CE1 4.21Å; Y1401-F2420 HydrophobicContact CE1-CZ 4.05Å; Y1401-F2420 AromaticContact CE2-CZ 3.91Å; Y1401-F2420 HydrophobicContact CE2-CZ 3.91Å; Y1401-F2420 HydrophobicContact CG-CE1 4.33Å; Y1401-F2420 AromaticContact CG-CZ 3.99Å; Y1401-F2420 HydrophobicContact CG-CZ 3.99Å; Y1401-F2420 AromaticContact CZ-CZ 3.97Å; F1404-F2420 HydrophobicContact CD2-CD1 4.04Å; F1404-F2420 HydrophobicContact CD2-CE1 4.13Å; F1404-F2420 HydrophobicContact CE2-CB 4.36Å; F1404-F2420 AromaticContact CE2-CD1 3.23Å; F1404-F2420 HydrophobicContact CE2-CD1 3.23Å; F1404-F2420 AromaticContact CE2-CE1 3.75Å; F1404-F2420 HydrophobicContact CE2-CE1 3.75Å; F1404-F2420 HydrophobicContact CE2-CG 4.07Å; F1404-F2420 HydrophobicContact CZ-CB 4.31Å; F1404-F2420 AromaticContact CZ-CD1 3.82Å; F1404-F2420 HydrophobicContact CZ-CD1 3.82Å; F1404-F2420 HydrophobicContact CZ-CG 4.47Å; A2416-F2420 PolarHBondContact O-N 3.16Å; K2417-F2420 PolarHBondContact O-N 3.39Å; F2420-F2422 PolarHBondContact O-N 3.07Å; F2420-R2423 WeakPolarHBondContact O-CA 3.34Å; F2420-R2423 WeakPolarHBondContact O-CB 3.32Å; F2420-R2423 PolarHBondContact O-N 2.8Å; F2420-S2424 PolarHBondContact O-N 3.05Å
2421L87.7Confident87.3Confident0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-62.4-43.8179.9-163.4159.1000111.2F1404 L2392 K2417 L2418 I2419 R2423 S2424 L2428 W2431F1404-L2421 HydrophobicContact CD1-CD1 4.03Å; F1404-L2421 HydrophobicContact CE1-CB 3.97Å; F1404-L2421 HydrophobicContact CE1-CD1 3.73Å; F1404-L2421 HydrophobicContact CE1-CG 4.2Å; F1404-L2421 HydrophobicContact CZ-CB 4.16Å; L2392-L2421 HydrophobicContact CD2-CD1 3.93Å; L2392-L2421 HydrophobicContact CD2-CD2 3.55Å; L2392-L2421 HydrophobicContact CD2-CG 4.39Å; K2417-L2421 PolarHBondContact O-N 3.28Å; K2417-L2421 VanDerWaalsContact O-N 3.15Å; L2418-L2421 PolarHBondContact O-N 2.79Å; I2419-L2421 VanDerWaalsContact C-N 3.31Å; I2419-L2421 PolarHBondContact O-N 3.36Å; L2421-R2423 VanDerWaalsContact C-N 3.26Å; L2421-R2423 PolarHBondContact O-N 3.34Å; L2421-S2424 PolarHBondContact O-N 3.04Å; L2421-L2428 HydrophobicContact CD2-CB 3.79Å; L2421-L2428 HydrophobicContact CD2-CD1 3.35Å; L2421-L2428 HydrophobicContact CD2-CG 4.11Å; L2421-W2431 HydrophobicContact CD1-CB 4.4Å; L2421-W2431 HydrophobicContact CD1-CD2 3.77Å; L2421-W2431 HydrophobicContact CD1-CE3 3.26Å; L2421-W2431 HydrophobicContact CD1-CG 4.28Å; L2421-W2431 HydrophobicContact CD1-CZ3 3.77Å
2422F88.2Confident87.2Confident20 Ų2038.9 Ų38.99%0.08820%0.197CC..Hα-helixtrans-67.9-21.7172.6-80.9-68.3000114.2F2010 I2014 F2383 L2418 I2419 F2420F2010-F2422 HydrophobicContact CB-CE2 3.98Å; F2010-F2422 HydrophobicContact CB-CZ 4.39Å; F2010-F2422 AromaticContact CD1-CD2 3.88Å; F2010-F2422 HydrophobicContact CD1-CD2 3.88Å; F2010-F2422 HydrophobicContact CD1-CE1 4.37Å; F2010-F2422 AromaticContact CD1-CE2 3.71Å; F2010-F2422 HydrophobicContact CD1-CE2 3.71Å; F2010-F2422 HydrophobicContact CD1-CG 4.28Å; F2010-F2422 AromaticContact CD1-CZ 3.98Å; F2010-F2422 HydrophobicContact CD1-CZ 3.98Å; F2010-F2422 HydrophobicContact CD2-CD2 4.31Å; F2010-F2422 HydrophobicContact CD2-CE2 4.33Å; F2010-F2422 HydrophobicContact CE1-CB 4.49Å; F2010-F2422 HydrophobicContact CE1-CD1 4.42Å; F2010-F2422 AromaticContact CE1-CD2 3.96Å; F2010-F2422 HydrophobicContact CE1-CD2 3.96Å; F2010-F2422 HydrophobicContact CE1-CE2 4.27Å; F2010-F2422 HydrophobicContact CE1-CG 4.04Å; F2010-F2422 HydrophobicContact CE2-CD2 4.38Å; F2010-F2422 HydrophobicContact CG-CD2 4.08Å; F2010-F2422 AromaticContact CG-CE2 3.76Å; F2010-F2422 HydrophobicContact CG-CE2 3.76Å; F2010-F2422 HydrophobicContact CG-CZ 4.34Å; F2010-F2422 HydrophobicContact CZ-CD2 4.21Å; F2010-F2422 HydrophobicContact CZ-CG 4.44Å; I2014-F2422 HydrophobicContact CD1-CE2 4.25Å; I2014-F2422 HydrophobicContact CD1-CZ 3.98Å; I2014-F2422 HydrophobicContact CG1-CZ 4.21Å; F2383-F2422 AromaticContact CD1-CD1 3.71Å; F2383-F2422 HydrophobicContact CD1-CD1 3.71Å; F2383-F2422 AromaticContact CD1-CE1 3.96Å; F2383-F2422 HydrophobicContact CD1-CE1 3.96Å; F2383-F2422 AromaticContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CE1 4.42Å; L2418-F2422 HydrophobicContact CD1-CD2 4.21Å; L2418-F2422 HydrophobicContact CD1-CE2 3.81Å; L2418-F2422 HydrophobicContact CG-CD2 4.16Å; L2418-F2422 HydrophobicContact CG-CE2 4.09Å; L2418-F2422 WeakPolarHBondContact O-CD2 3.41Å; L2418-F2422 PolarHBondContact O-N 3.01Å; L2418-F2422 VanDerWaalsContact O-N 3.16Å; I2419-F2422 PolarHBondContact O-N 2.69Å; F2420-F2422 PolarHBondContact O-N 3.07Å
2423R88.3Confident86.9Confident194 Ų19444.2 Ų44.273%0.73222%0.216SC*.Hα-helixtrans-79.8-23.5176.3-169.3177.8180-166.7-2.8113.2I2419 F2420 L2421I2419-R2423 WeakPolarHBondContact O-CB 3.29Å; I2419-R2423 PolarHBondContact O-N 2.95Å; F2420-R2423 WeakPolarHBondContact O-CA 3.34Å; F2420-R2423 WeakPolarHBondContact O-CB 3.32Å; F2420-R2423 PolarHBondContact O-N 2.8Å; L2421-R2423 VanDerWaalsContact C-N 3.26Å; L2421-R2423 PolarHBondContact O-N 3.34Å
2424S88.1Confident86.2Confident12 Ų1248.2 Ų48.28%0.08424%0.235CC..  trans-118.495.6-177.1167.70000111.4F2420 L2421 A2426 T2427 L2428F2420-S2424 PolarHBondContact O-N 3.05Å; L2421-S2424 PolarHBondContact O-N 3.04Å; S2424-A2426 PolarHBondContact O-N 3.13Å; S2424-T2427 WeakPolarHBondContact CB-OG1 3.43Å; S2424-T2427 PolarHBondContact O-N 3.41Å; S2424-T2427 PolarHBondContact O-OG1 3.46Å; S2424-T2427 PolarHBondContact OG-OG1 3.16Å; S2424-L2428 PolarHBondContact O-N 3.33Å; S2424-L2428 VanDerWaalsContact O-N 3.07Å
2425P87Confident84.8Confident61 Ų6150.8 Ų50.840%0.39625%0.254SS..Hα-helixtrans-59.6-27.7179.914.6-26.1000114.5M2382 L2428 I2429M2382-P2425 HydrophobicContact CE-CB 3.73Å; M2382-P2425 HydrophobicContact CE-CG 3.96Å; P2425-L2428 PolarHBondContact O-N 2.95Å; P2425-I2429 WeakPolarHBondContact O-CD1 3.36Å; P2425-I2429 VanDerWaalsContact O-CG1 3.29Å; P2425-I2429 WeakPolarHBondContact O-CG1 3.44Å; P2425-I2429 PolarHBondContact O-N 3.34Å
2426A86.3Confident83Confident72 Ų7259.3 Ų59.360%0.59529%0.291SS*.Hα-helixtrans-64.4-50.4177.700000111.6S2424 L2428 I2429 E2430S2424-A2426 PolarHBondContact O-N 3.13Å; A2426-L2428 VanDerWaalsContact C-N 3.35Å; A2426-I2429 PolarHBondContact O-N 3.09Å; A2426-E2430 PolarHBondContact O-N 3.46Å; A2426-E2430 VanDerWaalsContact O-N 3.09Å
2427T86.2Confident80.9Confident13 Ų1366.4 Ų66.48%0.0832%0.321CS..Hα-helixtrans-67.4-34.7176.3450000111.9Y1401 S2424 I2429 E2430 W2431Y1401-T2427 HydrophobicContact CD1-CG2 3.7Å; Y1401-T2427 HydrophobicContact CE1-CG2 3.81Å; S2424-T2427 WeakPolarHBondContact CB-OG1 3.43Å; S2424-T2427 PolarHBondContact O-N 3.41Å; S2424-T2427 PolarHBondContact O-OG1 3.46Å; S2424-T2427 PolarHBondContact OG-OG1 3.16Å; T2427-I2429 PolarHBondContact O-N 3.43Å; T2427-E2430 PolarHBondContact O-N 3.09Å; T2427-W2431 VanDerWaalsContact O-CB 3.28Å; T2427-W2431 WeakPolarHBondContact O-CB 3.44Å; T2427-W2431 PolarHBondContact O-N 3.2Å
2428L87.8Confident78.5Confident1 Ų173.4 Ų73.41%0.00535%0.351CS..Hα-helixtrans-59-45173.4174.159.4000112M2382 F2383 L2386 L2392 L2421 S2424 P2425 A2426 T2432M2382-L2428 WeakPolarHBondContact O-CD2 3.23Å; F2383-L2428 HydrophobicContact CD1-CD2 4.05Å; F2383-L2428 HydrophobicContact CE1-CD2 4.35Å; L2386-L2428 HydrophobicContact CD1-CD1 4.14Å; L2386-L2428 HydrophobicContact CD2-CD1 3.84Å; L2386-L2428 HydrophobicContact CD2-CD2 4.18Å; L2386-L2428 HydrophobicContact CD2-CG 3.89Å; L2392-L2428 HydrophobicContact CD1-CD1 3.89Å; L2392-L2428 HydrophobicContact CD2-CD1 4.34Å; L2421-L2428 HydrophobicContact CD2-CB 3.79Å; L2421-L2428 HydrophobicContact CD2-CD1 3.35Å; L2421-L2428 HydrophobicContact CD2-CG 4.11Å; S2424-L2428 PolarHBondContact O-N 3.33Å; S2424-L2428 VanDerWaalsContact O-N 3.07Å; P2425-L2428 PolarHBondContact O-N 2.95Å; A2426-L2428 VanDerWaalsContact C-N 3.35Å; L2428-T2432 HydrophobicContact CD1-CG2 3.92Å; L2428-T2432 WeakPolarHBondContact O-CB 3.27Å; L2428-T2432 VanDerWaalsContact O-CG2 3.29Å; L2428-T2432 WeakPolarHBondContact O-CG2 3.38Å; L2428-T2432 PolarHBondContact O-N 3.44Å; L2428-T2432 PolarHBondContact O-OG1 3.26Å
2429I86.6Confident76.1Confident116 Ų11682.4 Ų82.460%0.59539%0.393SS*.Hα-helixtrans-68.4-41.7179-69.8165.5000111.3P2425 A2426 T2427 T2432P2425-I2429 WeakPolarHBondContact O-CD1 3.36Å; P2425-I2429 VanDerWaalsContact O-CG1 3.29Å; P2425-I2429 WeakPolarHBondContact O-CG1 3.44Å; P2425-I2429 PolarHBondContact O-N 3.34Å; A2426-I2429 PolarHBondContact O-N 3.09Å; T2427-I2429 PolarHBondContact O-N 3.43Å; I2429-T2432 PolarHBondContact O-N 3.45Å
2430E83.3Confident73.6Confident153 Ų15391 Ų9172%0.71543%0.433SS*.Hα-helixtrans-61.5-44.1178.1-174.2167.6-158.500111.7A2426 T2427 T2432A2426-E2430 PolarHBondContact O-N 3.46Å; A2426-E2430 VanDerWaalsContact O-N 3.09Å; T2427-E2430 PolarHBondContact O-N 3.09Å; E2430-T2432 PolarHBondContact O-N 2.91Å
2431W82.9Confident72.9Confident15 Ų1594.5 Ų94.56%0.05745%0.449CS..Hα-helixtrans-79.7-11.8-176.3-144.362.3000114.8H2391 L2392 I2395 L2421 T2427H2391-W2431 HydrophobicContact CB-CD2 4.25Å; H2391-W2431 HydrophobicContact CB-CE3 3.77Å; H2391-W2431 HydrophobicContact CB-CH2 3.98Å; H2391-W2431 HydrophobicContact CB-CZ2 4.44Å; H2391-W2431 HydrophobicContact CB-CZ3 3.64Å; H2391-W2431 PolarHBondContact CD2-O 3.3Å; H2391-W2431 WeakPolarHBondContact O-CZ3 3.46Å; L2392-W2431 HydrophobicContact CD2-CE3 3.99Å; L2392-W2431 HydrophobicContact CD2-CZ3 4.04Å; I2395-W2431 HydrophobicContact CD1-CH2 3.42Å; I2395-W2431 VanDerWaalsContact CD1-CH2 3.42Å; I2395-W2431 HydrophobicContact CD1-CZ3 3.53Å; I2395-W2431 HydrophobicContact CG1-CH2 3.74Å; I2395-W2431 HydrophobicContact CG1-CZ3 4.07Å; L2421-W2431 HydrophobicContact CD1-CB 4.4Å; L2421-W2431 HydrophobicContact CD1-CD2 3.77Å; L2421-W2431 HydrophobicContact CD1-CE3 3.26Å; L2421-W2431 HydrophobicContact CD1-CG 4.28Å; L2421-W2431 HydrophobicContact CD1-CZ3 3.77Å; T2427-W2431 VanDerWaalsContact O-CB 3.28Å; T2427-W2431 WeakPolarHBondContact O-CB 3.44Å; T2427-W2431 PolarHBondContact O-N 3.2Å
2432T86.9Confident72.1Confident2 Ų299.4 Ų99.41%0.01247%0.473CS..THydrogen-bonded Turntrans-112.38.8-177.757.20000114.2L2386 P2387 N2388 L2392 L2428 I2429 E2430L2386-T2432 HydrophobicContact CD2-CG2 4.29Å; P2387-T2432 WeakPolarHBondContact CD-O 3.4Å; P2387-T2432 VanDerWaalsContact CG-O 3.29Å; P2387-T2432 WeakPolarHBondContact CG-O 3.39Å; N2388-T2432 WeakPolarHBondContact CB-O 3.39Å; N2388-T2432 PolarHBondContact N-O 3Å; N2388-T2432 WeakPolarHBondContact O-CB 3.36Å; N2388-T2432 WeakPolarHBondContact O-CG2 3.49Å; L2392-T2432 HydrophobicContact CD1-CG2 3.86Å; L2392-T2432 HydrophobicContact CG-CG2 4.09Å; L2428-T2432 HydrophobicContact CD1-CG2 3.92Å; L2428-T2432 WeakPolarHBondContact O-CB 3.27Å; L2428-T2432 VanDerWaalsContact O-CG2 3.29Å; L2428-T2432 WeakPolarHBondContact O-CG2 3.38Å; L2428-T2432 PolarHBondContact O-N 3.44Å; L2428-T2432 PolarHBondContact O-OG1 3.26Å; I2429-T2432 PolarHBondContact O-N 3.45Å; E2430-T2432 PolarHBondContact O-N 2.91Å
2433R80.9Confident71.2Confident155 Ų155103.8 Ų103.859%0.58549%0.494SS*.  trans-72.2143.5-177.4-177.4173.6169.5-179.2-6.7112.7
2434M70.8Confident70.2Confident117 Ų11798.5 Ų98.558%0.57648%0.48SS*.  trans-75.2129.5171.3-71-86.4-9000111.2P2387 N2388 K2436P2387-M2434 HydrophobicContact CB-CG 3.97Å; N2388-M2434 HydrophobicContact CB-SD 4.36Å; M2434-K2436 PolarHBondContact O-N 2.99Å
2435S57.3Low69.1Low64 Ų64103.9 Ų103.945%0.44851%0.505SS..SBendtrans-79.2-4.5-163.969.70000117.5E1409 K2437 K2438E1409-S2435 WeakPolarHBondContact OE1-CB 3.49Å; S2435-K2437 PolarHBondContact O-N 3.48Å; S2435-K2438 PolarHBondContact O-N 2.73Å
2436K53.3Low67.9Low179 Ų179106.8 Ų106.878%0.77851%0.513SS*.THydrogen-bonded Turntrans-63.417.1-174.9-73.7-167.7173.3-175.40116.8M2434M2434-K2436 PolarHBondContact O-N 2.99Å
2437K41.7Very low66.6Low152 Ų152109.3 Ų109.366%0.66151%0.507SS*.THydrogen-bonded Turntrans-124.513.2-179.7-115.1-170.8-179.7-168.50115.2S2435S2435-K2437 PolarHBondContact O-N 3.48Å
2438K38.8Very low65.1Low153 Ų153116.7 Ų116.767%0.66554%0.539SS*.SBendtrans-115.9-2.7170-86.4-174.9177.1177.60113.3D1407 S2435D1407-K2438 IonicContact OD1-NZ 3.12Å; D1407-K2438 PolarHBondContact OD1-NZ 3.24Å; S2435-K2438 PolarHBondContact O-N 2.73Å
2439Q38.9Very low63.2Low189 Ų189126.3 Ų126.388%0.88358%0.584SS**  trans-109.7-4.8177.4-75.7-177-1900113.6
2440E37Very low61.1Low221 Ų221127.3 Ų127.3100%1.03358%0.583SS**  trans-91.50157.1-69-179.5163.800108.2

Retrieved 2,440 of 2,440 residues in 1485.9 ms (Link to these results)

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