PIEZ1_CAEEL Loading...

Isoform c 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 A0A061ACU2-4 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,440 aa.

>PIEZ1_CAEEL|A0A061ACU2-4|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEERFVSAGTVETNVDDVGQLISISESTASAPSGRGRGNTLLLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTTAPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low65.1Low204 Ų20467.8 Ų67.8100%1.00538%0.381SS*.  0143.40-76.1170.1169.900109L143M1-L143 HydrophobicContact CB-CD2 3.57Å; M1-L143 VanDerWaalsContact O-CD2 3.28Å; M1-L143 WeakPolarHBondContact O-CD2 3.49Å
2T45.9Very low66.5Low93 Ų9362.4 Ų62.457%0.57135%0.351SS*.  trans-107.7137.9175.643.70000109.4R146T2-R146 HydrophobicContact CG2-CB 4.1Å
3V58.8Low67.3Low23 Ų2362.2 Ų62.214%0.13934%0.344CS..  trans-127.4128.9-172172.30000110.6L7 K8 L143V3-L7 HydrophobicContact CG1-CB 4Å; V3-L7 HydrophobicContact CG1-CD2 3.72Å; V3-L7 HydrophobicContact CG1-CG 4.37Å; V3-K8 HydrophobicContact CG1-CG 4.09Å; V3-L143 HydrophobicContact CG2-CB 4.1Å; V3-L143 HydrophobicContact CG2-CD1 4.05Å; V3-L143 HydrophobicContact CG2-CD2 4.26Å; V3-L143 HydrophobicContact CG2-CG 4.36Å
4P64Low67.9Low79 Ų7965.7 Ų65.751%0.51336%0.361SS..  trans-65142.1-178.725.2-33.5000111.8L6 L7 K8P4-L6 PolarHBondContact O-N 3.28Å; P4-L6 VanDerWaalsContact O-N 3.08Å; P4-L7 HydrophobicContact CG-CB 4.14Å; P4-L7 WeakPolarHBondContact O-CB 3.36Å; P4-L7 PolarHBondContact O-N 2.96Å; P4-K8 PolarHBondContact O-N 3.25Å
5P61.1Low68.9Low24 Ų2466.9 Ų66.916%0.15637%0.366CS..Hα-helixtrans-63.6-21-175.525-35000113.4K8 S9 I48 K50P5-K8 PolarHBondContact O-N 2.75Å; P5-S9 PolarHBondContact O-N 3.11Å; P5-I48 HydrophobicContact CB-CG2 4.32Å; P5-K50 HydrophobicContact CG-CG 3.98Å
6L64.7Low70Confident138 Ų13862.8 Ų62.872%0.72334%0.343SS*.Hα-helixtrans-66.2-41.7173.3-156.9160000111P4 S9 C10P4-L6 PolarHBondContact O-N 3.28Å; P4-L6 VanDerWaalsContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 3.23Å; L6-C10 WeakPolarHBondContact O-CB 3.37Å; L6-C10 PolarHBondContact O-N 2.75Å
7L73.2Confident70.7Confident84 Ų8459.2 Ų59.244%0.4432%0.324SS..Hα-helixtrans-65-45.3174.6-166.276.6000110.8V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 4Å; V3-L7 HydrophobicContact CG1-CD2 3.72Å; V3-L7 HydrophobicContact CG1-CG 4.37Å; P4-L7 HydrophobicContact CG-CB 4.14Å; P4-L7 WeakPolarHBondContact O-CB 3.36Å; P4-L7 PolarHBondContact O-N 2.96Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.65Å; L7-C10 PolarHBondContact O-N 2.71Å; L7-C10 VanDerWaalsContact O-N 3.11Å; L7-V11 HydrophobicContact CG-CG2 4.43Å; L7-V11 WeakPolarHBondContact O-CB 3.38Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.89Å
8K76.3Confident71.4Confident14 Ų1458.9 Ų58.96%0.06133%0.331CS..Hα-helixtrans-56.2-43.6174.3-63.4-163.3174.3-159.90112.1V3 P4 P5 V12 I48 I139 V140 L143V3-K8 HydrophobicContact CG1-CG 4.09Å; P4-K8 PolarHBondContact O-N 3.25Å; P5-K8 PolarHBondContact O-N 2.75Å; K8-V12 WeakPolarHBondContact O-CG2 3.37Å; K8-V12 PolarHBondContact O-N 2.98Å; K8-I48 HydrophobicContact CB-CD1 3.71Å; K8-I139 WeakPolarHBondContact CE-O 3.39Å; K8-I139 HydrophobicContact CG-CG2 4.25Å; K8-V140 PolarHBondContact NZ-O 2.81Å; K8-V140 VanDerWaalsContact NZ-O 3.09Å; K8-L143 WeakPolarHBondContact CE-O 3.17Å; K8-L143 PolarHBondContact NZ-O 3.41Å
9S73.9Confident72.2Confident19 Ų1956.6 Ų56.613%0.13332%0.32CS..Hα-helixtrans-66.5-37.5175.2-85.20000113.4P5 L6 L7 K13 I48P5-S9 PolarHBondContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.23Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.65Å; S9-K13 VanDerWaalsContact O-CB 3.28Å; S9-K13 WeakPolarHBondContact O-CB 3.3Å; S9-K13 WeakPolarHBondContact O-CG 3.49Å; S9-K13 PolarHBondContact O-N 2.82Å; S9-K13 VanDerWaalsContact O-N 3.12Å; S9-I48 PolarHBondContact OG-N 3.35Å
10C76Confident73Confident57 Ų5753.9 Ų53.939%0.38530%0.304SS..Hα-helixtrans-68.8-42179.5-164.30000111.8L6 L7 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.37Å; L6-C10 PolarHBondContact O-N 2.75Å; L7-C10 PolarHBondContact O-N 2.71Å; L7-C10 VanDerWaalsContact O-N 3.11Å; C10-V12 PolarHBondContact O-N 2.67Å; C10-K13 PolarHBondContact O-N 3.24Å; C10-L14 WeakPolarHBondContact O-CB 3.31Å; C10-L14 PolarHBondContact O-N 2.94Å; C10-L15 PolarHBondContact O-N 2.78Å
11V82.6Confident73.6Confident11 Ų1152.2 Ų52.27%0.06730%0.295CS..Iπ-helixtrans-61.4-43.4177.61640000111.6L7 L15 L16 T136 I139L7-V11 HydrophobicContact CG-CG2 4.43Å; L7-V11 WeakPolarHBondContact O-CB 3.38Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.89Å; V11-L15 HydrophobicContact CG1-CD2 4.48Å; V11-L15 HydrophobicContact CG2-CD2 4.33Å; V11-L16 PolarHBondContact O-N 3.24Å; V11-L16 VanDerWaalsContact O-N 3.09Å; V11-T136 HydrophobicContact CG1-CG2 3.54Å; V11-I139 HydrophobicContact CB-CG2 4.39Å; V11-I139 HydrophobicContact CG1-CB 4.33Å; V11-I139 HydrophobicContact CG1-CD1 4.23Å; V11-I139 HydrophobicContact CG1-CG2 4.25Å; V11-I139 HydrophobicContact CG2-CD1 3.99Å; V11-I139 HydrophobicContact CG2-CG2 4.3Å
12V82.1Confident75.7Confident3 Ų344.4 Ų44.42%0.01826%0.263CS..Iπ-helixtrans-71.2-37.4177.6173.30000113.2K8 C10 P17 S42 L45 V140K8-V12 WeakPolarHBondContact O-CG2 3.37Å; K8-V12 PolarHBondContact O-N 2.98Å; C10-V12 PolarHBondContact O-N 2.67Å; V12-P17 WeakPolarHBondContact O-CD 3.41Å; V12-S42 PolarHBondContact O-OG 2.87Å; V12-L45 HydrophobicContact CG1-CD1 3.8Å; V12-V140 HydrophobicContact CG2-CG2 3.6Å
13K76.1Confident77.4Confident59 Ų5940 Ų4026%0.25724%0.235SC..Iπ-helixtrans-102.1-10.8-167.5-66.6-179.4174.3-178.90116.2S9 C10 P17 L45 P46 P47S9-K13 VanDerWaalsContact O-CB 3.28Å; S9-K13 WeakPolarHBondContact O-CB 3.3Å; S9-K13 WeakPolarHBondContact O-CG 3.49Å; S9-K13 PolarHBondContact O-N 2.82Å; S9-K13 VanDerWaalsContact O-N 3.12Å; C10-K13 PolarHBondContact O-N 3.24Å; K13-P17 WeakPolarHBondContact O-CG 3.48Å; K13-L45 VanDerWaalsContact CE-O 3.24Å; K13-L45 WeakPolarHBondContact CE-O 3.47Å; K13-L45 PolarHBondContact NZ-O 3.42Å; K13-P46 WeakPolarHBondContact CE-O 3.47Å; K13-P47 VanDerWaalsContact NZ-CA 3.29Å; K13-P47 VanDerWaalsContact NZ-N 3.19Å
14L75.6Confident78.5Confident112 Ų11238.9 Ų38.959%0.58623%0.229SC*.Iπ-helixtrans-133.9-52.3-174.3-157.1156.4000110.8C10 A18C10-L14 WeakPolarHBondContact O-CB 3.31Å; C10-L14 PolarHBondContact O-N 2.94Å; L14-A18 WeakPolarHBondContact O-CB 3.31Å; L14-A18 PolarHBondContact O-N 3.3Å
15L83.1Confident79.3Confident83 Ų8340.2 Ų40.244%0.43523%0.231SC..Iπ-helixtrans-66.2-52.7-179.8-166.676.4000112.3C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 2.78Å; V11-L15 HydrophobicContact CG1-CD2 4.48Å; V11-L15 HydrophobicContact CG2-CD2 4.33Å; L15-A18 PolarHBondContact O-N 2.99Å; L15-A19 PolarHBondContact O-N 2.87Å; L15-L135 HydrophobicContact CD2-CD2 3.62Å
16L86.8Confident80Confident1 Ų140.9 Ų40.91%0.00523%0.233CC..Hα-helixtrans-60.8-51.8-179.7-176.964000114.3V11 A18 A19 L20 F61 T65 A132 T136V11-L16 PolarHBondContact O-N 3.24Å; V11-L16 VanDerWaalsContact O-N 3.09Å; L16-A18 VanDerWaalsContact C-N 3.29Å; L16-A18 PolarHBondContact O-N 2.87Å; L16-A19 PolarHBondContact O-N 2.95Å; L16-L20 HydrophobicContact CD1-CD1 4.21Å; L16-L20 HydrophobicContact CD1-CG 4.36Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.19Å; L16-F61 HydrophobicContact CD2-CE1 3.7Å; L16-F61 HydrophobicContact CD2-CZ 4.32Å; L16-T65 HydrophobicContact CD1-CG2 4.19Å; L16-T65 HydrophobicContact CD2-CG2 4.37Å; L16-A132 HydrophobicContact CD1-CB 4.4Å; L16-T136 HydrophobicContact CB-CG2 3.87Å; L16-T136 HydrophobicContact CD1-CG2 4.13Å; L16-T136 HydrophobicContact CD2-CG2 4.08Å; L16-T136 HydrophobicContact CG-CG2 4.24Å
17P82.9Confident80.6Confident2 Ų234.9 Ų34.91%0.01320%0.2CC..Hα-helixtrans-65.8-30.617924.1-33.1000112.8V12 K13 L20 L21 A39V12-P17 WeakPolarHBondContact O-CD 3.41Å; K13-P17 WeakPolarHBondContact O-CG 3.48Å; P17-L20 PolarHBondContact O-N 2.69Å; P17-L21 WeakPolarHBondContact O-CB 3.39Å; P17-L21 WeakPolarHBondContact O-CG 3.35Å; P17-L21 PolarHBondContact O-N 2.6Å; P17-A39 HydrophobicContact CB-CB 4Å
18A82.8Confident80.7Confident54 Ų5431.2 Ų31.245%0.44618%0.182SC..Hα-helixtrans-65.1-43.717300000111.8L14 L15 L16 L21 A22L14-A18 WeakPolarHBondContact O-CB 3.31Å; L14-A18 PolarHBondContact O-N 3.3Å; L15-A18 PolarHBondContact O-N 2.99Å; L16-A18 VanDerWaalsContact C-N 3.29Å; L16-A18 PolarHBondContact O-N 2.87Å; A18-L21 PolarHBondContact O-N 3.42Å; A18-A22 WeakPolarHBondContact O-CB 3.39Å; A18-A22 PolarHBondContact O-N 3Å
19A86.4Confident80.9Confident16 Ų1630.6 Ų30.613%0.13218%0.179CC..Hα-helixtrans-63.4-41.9175.400000112.6L15 L16 A22 A23 I128 A132L15-A19 PolarHBondContact O-N 2.87Å; L16-A19 PolarHBondContact O-N 2.95Å; A19-A22 PolarHBondContact O-N 2.68Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.36Å; A19-I128 HydrophobicContact CB-CG2 4.03Å; A19-I128 WeakPolarHBondContact O-CG2 3.5Å; A19-A132 HydrophobicContact CB-CB 3.4Å
20L88.4Confident81.3Confident1 Ų133.3 Ų33.31%0.00519%0.188CC..Hα-helixtrans-66-41.6176.5-71.5169.1000112.5L16 P17 A24 Y35 L38 A39 T65L16-L20 HydrophobicContact CD1-CD1 4.21Å; L16-L20 HydrophobicContact CD1-CG 4.36Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.19Å; P17-L20 PolarHBondContact O-N 2.69Å; L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 2.83Å; L20-Y35 HydrophobicContact CD2-CD1 3.9Å; L20-Y35 HydrophobicContact CD2-CG 4.32Å; L20-L38 HydrophobicContact CD1-CB 3.83Å; L20-A39 HydrophobicContact CB-CB 4.04Å; L20-T65 HydrophobicContact CD1-CG2 4.22Å; L20-T65 HydrophobicContact CD2-CG2 4.4Å
21L84.6Confident81.7Confident19 Ų1933 Ų3310%0.09918%0.183CC..Hα-helixtrans-67.6-38174.7-77.8164.6000112.1P17 A18 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.39Å; P17-L21 WeakPolarHBondContact O-CG 3.35Å; P17-L21 PolarHBondContact O-N 2.6Å; A18-L21 PolarHBondContact O-N 3.42Å; L21-A24 PolarHBondContact O-N 2.91Å; L21-I25 WeakPolarHBondContact O-CB 3.4Å; L21-I25 WeakPolarHBondContact O-CD1 3.36Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.34Å; L21-I25 PolarHBondContact O-N 2.89Å; L21-A39 HydrophobicContact CD1-CB 4.29Å; L21-A39 HydrophobicContact CD2-CB 4.38Å; L21-A39 HydrophobicContact CG-CB 3.84Å; L21-F249 HydrophobicContact CD2-CE1 4.23Å; L21-F249 HydrophobicContact CD2-CZ 4.23Å; L21-L317 HydrophobicContact CD1-CD1 4.18Å; L21-L317 HydrophobicContact CD1-CD2 4.18Å
22A83.9Confident81.6Confident40 Ų4032.5 Ų32.533%0.33118%0.179SC..Hα-helixtrans-62.2-48.3173.900000111.5A18 A19 A24 I25 I26A18-A22 WeakPolarHBondContact O-CB 3.39Å; A18-A22 PolarHBondContact O-N 3Å; A19-A22 PolarHBondContact O-N 2.68Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 3.29Å; A22-I25 PolarHBondContact O-N 2.99Å; A22-I26 WeakPolarHBondContact O-CD1 3.46Å; A22-I26 WeakPolarHBondContact O-CG1 3.4Å; A22-I26 PolarHBondContact O-N 2.91Å
23A82.1Confident81.7Confident0 Ų033.8 Ų33.80%019%0.186CC..Hα-helixtrans-58.7-40175.400000112.3A19 R27 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.36Å; A23-R27 PolarHBondContact O-N 3.36Å; A23-Y35 HydrophobicContact CB-CD2 4.23Å; A23-Y35 HydrophobicContact CB-CE2 4.32Å; A23-P125 HydrophobicContact CB-CB 4.1Å; A23-P125 WeakPolarHBondContact CB-O 3.25Å; A23-A129 HydrophobicContact CB-CB 4.21Å
24A83Confident82.1Confident0 Ų031.8 Ų31.80%018%0.182CC..Hα-helixtrans-62.7-52.9175.400000112.5L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.32Å; L20-A24 PolarHBondContact O-N 2.83Å; L21-A24 PolarHBondContact O-N 2.91Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 3.29Å; A24-I26 PolarHBondContact O-N 3.39Å; A24-R27 CarbonylContact O-C 3.59Å; A24-R27 PolarHBondContact O-N 2.98Å; A24-V36 HydrophobicContact CB-CG2 3.71Å; A24-Y253 HydrophobicContact CB-CE2 4.17Å; A24-Y253 WeakPolarHBondContact CB-OH 3.43Å; A24-Y253 PolarHBondContact O-OH 2.98Å
25I79.3Confident82.7Confident108 Ų10826.5 Ų26.555%0.55415%0.154SC*.Hα-helixtrans-59.5-34.9-179.6-68.6163.6000111.8L21 A22 R27L21-I25 WeakPolarHBondContact O-CB 3.4Å; L21-I25 WeakPolarHBondContact O-CD1 3.36Å; L21-I25 VanDerWaalsContact O-CG1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.34Å; L21-I25 PolarHBondContact O-N 2.89Å; A22-I25 PolarHBondContact O-N 2.99Å; I25-R27 PolarHBondContact O-N 3.23Å
26I76.6Confident82.9Confident38 Ų3822.5 Ų22.520%0.19513%0.134CC..Hα-helixtrans-69.9-29.2177.9-64161.2000111.9A22 A24 R121 L124 P125 I128A22-I26 WeakPolarHBondContact O-CD1 3.46Å; A22-I26 WeakPolarHBondContact O-CG1 3.4Å; A22-I26 PolarHBondContact O-N 2.91Å; A24-I26 PolarHBondContact O-N 3.39Å; I26-R121 HydrophobicContact CG2-CG 3.98Å; I26-R121 WeakPolarHBondContact O-CG 3.48Å; I26-R121 PolarHBondContact O-NE 3.4Å; I26-L124 HydrophobicContact CD1-CD2 4.18Å; I26-L124 HydrophobicContact CD1-CG 4.41Å; I26-P125 HydrophobicContact CB-CG 4.08Å; I26-P125 HydrophobicContact CG2-CG 3.68Å; I26-I128 HydrophobicContact CD1-CD1 3.71Å
27R77Confident82.9Confident12 Ų1226.6 Ų26.65%0.04516%0.155CC..SBendtrans-139.978.2179-162.6179.579.3-143.8-2.9112.8A23 A24 I25 S29 S32 G107 P125 E126A23-R27 PolarHBondContact O-N 3.36Å; A24-R27 CarbonylContact O-C 3.59Å; A24-R27 PolarHBondContact O-N 2.98Å; I25-R27 PolarHBondContact O-N 3.23Å; R27-S29 PolarHBondContact O-N 3.12Å; R27-S32 WeakPolarHBondContact O-CB 3.2Å; R27-S32 PolarHBondContact O-OG 3.49Å; R27-G107 PolarHBondContact NE-O 2.72Å; R27-P125 HydrophobicContact CB-CG 3.95Å; R27-E126 IonicContact CZ-OE1 2.72Å; R27-E126 IonicContact NH1-OE1 2.73Å; R27-E126 PolarHBondContact NH1-OE1 3.38Å; R27-E126 IonicContact NH2-OE1 3.97Å; R27-E126 PolarHBondContact NH2-OE1 3.19Å
28P76Confident83.1Confident7 Ų727.6 Ų27.65%0.04516%0.16CC..  trans-61.6105.7171.924.4-34.4000111.5Q256 M281 W289P28-Q256 HydrophobicContact CB-CB 4.45Å; P28-M281 HydrophobicContact CG-CE 4.49Å; P28-M281 HydrophobicContact CG-SD 4.19Å; P28-W289 HydrophobicContact CG-CH2 4.49Å; P28-W289 HydrophobicContact CG-CZ3 4.45Å
29S79.8Confident83.3Confident0 Ų025 Ų250%014%0.139CC..SBendtrans-155.1167.7-18089.20000111.1R27 L31 S32 S105 I106 G107R27-S29 PolarHBondContact O-N 3.12Å; S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 2.92Å; S29-L31 PolarHBondContact OG-N 3.02Å; S29-S32 PolarHBondContact N-OG 2.97Å; S29-S32 WeakPolarHBondContact O-CB 3.45Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact O-OG 3.45Å; S29-S105 CarbonylContact C-O 3.59Å; S29-S105 WeakPolarHBondContact CA-O 3.2Å; S29-S105 WeakPolarHBondContact CB-O 3.32Å; S29-I106 VanDerWaalsContact CB-O 3.26Å; S29-I106 WeakPolarHBondContact CB-O 3.33Å; S29-I106 PolarHBondContact OG-O 3.1Å; S29-G107 VanDerWaalsContact CB-CA 3.46Å; S29-G107 VanDerWaalsContact OG-CA 3.3Å; S29-G107 WeakPolarHBondContact OG-CA 3.27Å
30F83.2Confident83.3Confident77 Ų7725 Ų2534%0.33814%0.137SC..Hα-helixtrans-58.4-37.9179.4-72.9-71.2000113.5S32 I33 S105 I106 I257 I259 W264F30-S32 VanDerWaalsContact C-N 3.29Å; F30-S32 PolarHBondContact O-N 2.73Å; F30-I33 HydrophobicContact CD1-CD1 3.86Å; F30-I33 WeakPolarHBondContact O-CB 3.5Å; F30-I33 PolarHBondContact O-N 2.98Å; F30-S105 VanDerWaalsContact CD2-O 3.3Å; F30-S105 WeakPolarHBondContact CD2-O 3.38Å; F30-S105 PolarHBondContact N-O 2.88Å; F30-I106 PolarHBondContact N-O 2.78Å; F30-I257 HydrophobicContact CD1-CD1 4.34Å; F30-I257 HydrophobicContact CE1-CD1 4.35Å; F30-I257 HydrophobicContact CE2-CG2 4.43Å; F30-I259 HydrophobicContact CE2-CG2 4Å; F30-I259 HydrophobicContact CZ-CG2 4.04Å; F30-W264 HydrophobicContact CZ-CH2 4.19Å
31L82.5Confident83.2Confident50 Ų5028.4 Ų28.426%0.26216%0.157SC..Hα-helixtrans-58.4-39.1173.4-71.5166.3000112.6S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 2.92Å; S29-L31 PolarHBondContact OG-N 3.02Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 3.35Å; L31-G34 PolarHBondContact O-N 3.41Å; L31-G34 VanDerWaalsContact O-N 3.11Å; L31-V72 HydrophobicContact CD1-CG1 4.29Å; L31-V72 HydrophobicContact CD2-CG2 4.32Å; L31-I106 WeakPolarHBondContact CB-O 3.36Å; L31-I106 HydrophobicContact CD1-CG2 3.97Å; L31-I106 WeakPolarHBondContact CD1-O 3.33Å; L31-I106 HydrophobicContact CG-CG2 4.1Å; L31-I106 VanDerWaalsContact CG-O 3.3Å; L31-I106 WeakPolarHBondContact CG-O 3.43Å; L31-I106 PolarHBondContact N-O 2.89Å; L31-I106 VanDerWaalsContact N-O 3.08Å
32S81.2Confident83.2Confident0 Ų027.5 Ų27.50%015%0.152CC..Hα-helixtrans-68-21.3-177.275.30000114.3R27 S29 F30 G34 Y35 V36 Y253R27-S32 WeakPolarHBondContact O-CB 3.2Å; R27-S32 PolarHBondContact O-OG 3.49Å; S29-S32 PolarHBondContact N-OG 2.97Å; S29-S32 WeakPolarHBondContact O-CB 3.45Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact O-OG 3.45Å; F30-S32 VanDerWaalsContact C-N 3.29Å; F30-S32 PolarHBondContact O-N 2.73Å; S32-G34 PolarHBondContact O-N 3.26Å; S32-Y35 WeakPolarHBondContact O-CB 3.23Å; S32-Y35 PolarHBondContact O-N 3.42Å; S32-V36 PolarHBondContact O-N 3.44Å; S32-Y253 VanDerWaalsContact CB-OH 3.3Å; S32-Y253 WeakPolarHBondContact CB-OH 3.41Å; S32-Y253 PolarHBondContact OG-OH 3.14Å
33I84Confident82.8Confident30 Ų3026.1 Ų26.115%0.15414%0.141CC..Hα-helixtrans-59-31.5173.1-56.6176.7000110F30 L31 V36 L37 Y253 I257F30-I33 HydrophobicContact CD1-CD1 3.86Å; F30-I33 WeakPolarHBondContact O-CB 3.5Å; F30-I33 PolarHBondContact O-N 2.98Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 3.35Å; I33-V36 PolarHBondContact O-N 2.82Å; I33-L37 HydrophobicContact CG2-CD1 4.13Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CG 3.15Å; I33-L37 PolarHBondContact O-N 3.32Å; I33-Y253 HydrophobicContact CG1-CE1 4.26Å; I33-I257 HydrophobicContact CD1-CD1 3.94Å; I33-I257 HydrophobicContact CG1-CD1 4.36Å
34G85.5Confident82.7Confident17 Ų1730.5 Ų30.518%0.17517%0.167CC..Hα-helixtrans-60.3-43.2172.400000113.2L31 S32 L37 L38L31-G34 PolarHBondContact O-N 3.41Å; L31-G34 VanDerWaalsContact O-N 3.11Å; S32-G34 PolarHBondContact O-N 3.26Å; G34-L37 PolarHBondContact O-N 2.93Å; G34-L38 WeakPolarHBondContact O-CB 3.38Å; G34-L38 WeakPolarHBondContact O-CD1 3.37Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.37Å; G34-L38 PolarHBondContact O-N 2.84Å
35Y88.6Confident82.4Confident1 Ų130.8 Ų30.80%0.00417%0.169CC..Hα-helixtrans-65.4-40.7175.5-51.5-46.2000111.7L20 A23 S32 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.9Å; L20-Y35 HydrophobicContact CD2-CG 4.32Å; A23-Y35 HydrophobicContact CB-CD2 4.23Å; A23-Y35 HydrophobicContact CB-CE2 4.32Å; S32-Y35 WeakPolarHBondContact O-CB 3.23Å; S32-Y35 PolarHBondContact O-N 3.42Å; Y35-L38 PolarHBondContact O-N 2.89Å; Y35-A39 WeakPolarHBondContact O-CB 3.24Å; Y35-A39 PolarHBondContact O-N 3.36Å; Y35-F68 HydrophobicContact CD1-CD1 4.12Å; Y35-F68 AromaticContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CE1-CD1 4.07Å; Y35-F68 AromaticContact CE1-CE1 3.81Å; Y35-F68 HydrophobicContact CE1-CE1 3.81Å; Y35-E126 PolarHBondContact OH-OE1 2.66Å; Y35-E126 PolarHBondContact OH-OE2 3.24Å; Y35-A129 HydrophobicContact CE1-CB 4.12Å
36V85.9Confident82Confident0 Ų028.1 Ų28.10%016%0.159CC..Hα-helixtrans-61.9-45.9176.5177.50000110.9A24 S32 I33 L38 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.71Å; S32-V36 PolarHBondContact O-N 3.44Å; I33-V36 PolarHBondContact O-N 2.82Å; V36-L38 PolarHBondContact O-N 3.13Å; V36-A39 PolarHBondContact O-N 3.08Å; V36-L40 HydrophobicContact CG1-CD1 4.01Å; V36-L40 HydrophobicContact CG1-CG 4.45Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.01Å; V36-F249 HydrophobicContact CG1-CD1 4.22Å; V36-F249 HydrophobicContact CG1-CE1 3.94Å; V36-Y253 HydrophobicContact CG2-CD1 4.18Å; V36-Y253 HydrophobicContact CG2-CD2 4.16Å; V36-Y253 HydrophobicContact CG2-CE1 3.91Å; V36-Y253 HydrophobicContact CG2-CE2 3.89Å; V36-Y253 HydrophobicContact CG2-CG 4.31Å
37L86.8Confident81.5Confident87 Ų8728.9 Ų28.946%0.45517%0.166SC..Hα-helixtrans-60.4-45.4175.3-75.4167.5000111.8I33 G34 A39 L40 V41 L250I33-L37 HydrophobicContact CG2-CD1 4.13Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CG 3.15Å; I33-L37 PolarHBondContact O-N 3.32Å; G34-L37 PolarHBondContact O-N 2.93Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 3.2Å; L37-L40 PolarHBondContact O-N 3.07Å; L37-V41 WeakPolarHBondContact O-CB 3.43Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 3.48Å; L37-L250 HydrophobicContact CD2-CD1 4.3Å
38L88.4Confident81.1Confident22 Ų2229.3 Ų29.312%0.11517%0.169CC..Hα-helixtrans-63.2-38.3177.1-70.9165.4000112.1L20 G34 Y35 V36 V41 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.83Å; G34-L38 WeakPolarHBondContact O-CB 3.38Å; G34-L38 WeakPolarHBondContact O-CD1 3.37Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.37Å; G34-L38 PolarHBondContact O-N 2.84Å; Y35-L38 PolarHBondContact O-N 2.89Å; V36-L38 PolarHBondContact O-N 3.13Å; L38-V41 PolarHBondContact O-N 2.94Å; L38-S42 PolarHBondContact O-N 3.32Å; L38-F61 HydrophobicContact CD2-CE2 3.96Å; L38-F61 WeakPolarHBondContact O-CZ 3.35Å; L38-T65 HydrophobicContact CD1-CG2 4.4Å; L38-F68 HydrophobicContact CD1-CB 4.28Å; L38-F68 HydrophobicContact CD1-CD1 3.8Å; L38-F68 HydrophobicContact CD1-CE1 4.47Å; L38-F68 HydrophobicContact CD1-CG 4.15Å
39A86.6Confident80.5Confident0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-67-43.7176.100000112.8P17 L20 L21 Y35 V36 L37 S42 Y321P17-A39 HydrophobicContact CB-CB 4Å; L20-A39 HydrophobicContact CB-CB 4.04Å; L21-A39 HydrophobicContact CD1-CB 4.29Å; L21-A39 HydrophobicContact CD2-CB 4.38Å; L21-A39 HydrophobicContact CG-CB 3.84Å; Y35-A39 WeakPolarHBondContact O-CB 3.24Å; Y35-A39 PolarHBondContact O-N 3.36Å; V36-A39 PolarHBondContact O-N 3.08Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 3.2Å; A39-S42 WeakPolarHBondContact O-CB 3.34Å; A39-S42 PolarHBondContact O-N 3.49Å; A39-Y321 PolarHBondContact O-OH 2.82Å
40L86.1Confident79.2Confident17 Ų1742.2 Ų42.29%0.08922%0.221CC..Hα-helixtrans-64.3-38.8174.8-68.5171.6000111.5V36 L37 A43 F320V36-L40 HydrophobicContact CG1-CD1 4.01Å; V36-L40 HydrophobicContact CG1-CG 4.45Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.01Å; L37-L40 PolarHBondContact O-N 3.07Å; L40-A43 WeakPolarHBondContact O-CB 3.39Å; L40-A43 PolarHBondContact O-N 3.09Å; L40-F320 HydrophobicContact CB-CE1 4.48Å; L40-F320 HydrophobicContact CB-CZ 4.31Å; L40-F320 HydrophobicContact CD2-CD1 3.83Å; L40-F320 HydrophobicContact CD2-CE1 3.47Å; L40-F320 VanDerWaalsContact CD2-CE1 3.47Å; L40-F320 HydrophobicContact CD2-CE2 4.35Å; L40-F320 HydrophobicContact CD2-CG 4.41Å; L40-F320 HydrophobicContact CD2-CZ 3.76Å
41V85.7Confident78Confident71 Ų7143.4 Ų43.443%0.4324%0.239SC..Hα-helixtrans-66.6-37.7175.7168.70000112.1L37 L38 A43 V44 L45 F61L37-V41 WeakPolarHBondContact O-CB 3.43Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 3.48Å; L38-V41 PolarHBondContact O-N 2.94Å; V41-A43 PolarHBondContact O-N 3.26Å; V41-V44 WeakPolarHBondContact O-CA 3.23Å; V41-V44 WeakPolarHBondContact O-CB 3.41Å; V41-V44 PolarHBondContact O-N 3.38Å; V41-L45 PolarHBondContact O-N 3.41Å; V41-F61 HydrophobicContact CB-CE2 4.12Å; V41-F61 HydrophobicContact CG1-CD2 3.8Å; V41-F61 HydrophobicContact CG1-CE2 3.67Å
42S84.5Confident76.7Confident0 Ų046.8 Ų46.80%026%0.257CS..Hα-helixtrans-53.7-42.5175.3166.50000112.1V12 L38 A39 V44 L45V12-S42 PolarHBondContact O-OG 2.87Å; L38-S42 PolarHBondContact O-N 3.32Å; A39-S42 WeakPolarHBondContact O-CB 3.34Å; A39-S42 PolarHBondContact O-N 3.49Å; S42-V44 PolarHBondContact O-N 3.32Å; S42-V44 VanDerWaalsContact O-N 3.07Å; S42-L45 WeakPolarHBondContact O-CB 3.41Å; S42-L45 PolarHBondContact O-N 3.45Å; S42-L45 VanDerWaalsContact O-N 3.1Å
43A76.5Confident75.7Confident11 Ų1151.2 Ų51.29%0.09129%0.293CS..Hα-helixtrans-57.2-26.6176.800000112.9L40 V41 F320 Y321 V324 K328L40-A43 WeakPolarHBondContact O-CB 3.39Å; L40-A43 PolarHBondContact O-N 3.09Å; V41-A43 PolarHBondContact O-N 3.26Å; A43-F320 HydrophobicContact CB-CE1 3.69Å; A43-F320 HydrophobicContact CB-CZ 4.24Å; A43-Y321 HydrophobicContact CB-CD1 3.98Å; A43-Y321 HydrophobicContact CB-CE1 3.57Å; A43-V324 HydrophobicContact CB-CG1 4.33Å; A43-V324 VanDerWaalsContact O-CG1 3.25Å; A43-V324 WeakPolarHBondContact O-CG1 3.19Å; A43-K328 PolarHBondContact O-NZ 2.88Å
44V79.8Confident74.7Confident92 Ų9252.8 Ų52.856%0.55830%0.302SS*.Hα-helixtrans-86.8-16.4-177.7-1720000113.2V41 S42 K328V41-V44 WeakPolarHBondContact O-CA 3.23Å; V41-V44 WeakPolarHBondContact O-CB 3.41Å; V41-V44 PolarHBondContact O-N 3.38Å; S42-V44 PolarHBondContact O-N 3.32Å; S42-V44 VanDerWaalsContact O-N 3.07Å; V44-K328 WeakPolarHBondContact O-CE 3.01Å; V44-K328 PolarHBondContact O-NZ 3.44Å
45L77.6Confident74Confident7 Ų754 Ų544%0.03731%0.307CS..SBendtrans-65.7147.8-175.9-64.1172.7000116.6V12 K13 V41 S42 L57 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.8Å; K13-L45 VanDerWaalsContact CE-O 3.24Å; K13-L45 WeakPolarHBondContact CE-O 3.47Å; K13-L45 PolarHBondContact NZ-O 3.42Å; V41-L45 PolarHBondContact O-N 3.41Å; S42-L45 WeakPolarHBondContact O-CB 3.41Å; S42-L45 PolarHBondContact O-N 3.45Å; S42-L45 VanDerWaalsContact O-N 3.1Å; L45-L57 HydrophobicContact CD2-CD2 4.07Å; L45-F61 HydrophobicContact CD1-CB 4.41Å; L45-F61 HydrophobicContact CD1-CD1 3.4Å; L45-F61 HydrophobicContact CD1-CD2 4.35Å; L45-F61 HydrophobicContact CD1-CE1 3.62Å; L45-F61 HydrophobicContact CD1-CG 3.79Å; L45-F61 HydrophobicContact CD1-CZ 4.2Å; L45-F61 HydrophobicContact CD2-CB 4.34Å; L45-F61 HydrophobicContact CD2-CG 4.33Å; L45-K328 PolarHBondContact O-NZ 3.3Å
46P70.2Confident73.3Confident52 Ų5263 Ų6334%0.33835%0.346SS..PPolyproline II helixtrans-67.2155.3176.229.1-35.2000112.7K13 V58K13-P46 WeakPolarHBondContact CE-O 3.47Å; P46-V58 HydrophobicContact CG-CG2 3.87Å
47P66.2Low72.9Confident54 Ų5468.6 Ų68.635%0.35138%0.375SS..PPolyproline II helixtrans-74.5148.117231.8-33.1000112.1K13K13-P47 VanDerWaalsContact NZ-CA 3.29Å; K13-P47 VanDerWaalsContact NZ-N 3.19Å
48I67.7Low72.5Confident20 Ų2064.5 Ų64.510%0.10335%0.354CS..PPolyproline II helixtrans-79.7128.9171.2-61.1167.9000108.3P5 K8 S9 L54P5-I48 HydrophobicContact CB-CG2 4.32Å; K8-I48 HydrophobicContact CB-CD1 3.71Å; S9-I48 PolarHBondContact OG-N 3.35Å; I48-L54 HydrophobicContact CD1-CD1 4.06Å; I48-L54 HydrophobicContact CG1-CD1 4.32Å
49R63Low72.1Confident106 Ų10663.8 Ų63.840%0.435%0.352SS..  trans-112.4160.6-174.7-74.6-175.7164.1-159.1-8111.5S51 E336R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 2.86Å; R49-E336 IonicContact CZ-OE1 3.69Å; R49-E336 IonicContact CZ-OE2 3.56Å; R49-E336 IonicContact NH1-OE1 3.24Å; R49-E336 PolarHBondContact NH1-OE1 3.03Å; R49-E336 IonicContact NH2-OE1 3.99Å; R49-E336 PolarHBondContact NH2-OE1 3.06Å; R49-E336 IonicContact NH2-OE2 2.76Å; R49-E336 PolarHBondContact NH2-OE2 3.1Å
50K53.6Low71.9Confident173 Ų17367.3 Ų67.375%0.75237%0.373SS*.THydrogen-bonded Turntrans-64.4-30178.1-86.1-166.9171.2-166.10114.5P5P5-K50 HydrophobicContact CG-CG 3.98Å
51S57.3Low71.9Confident101 Ų10167.2 Ų67.271%0.70637%0.372SS*.THydrogen-bonded Turntrans-112.36.4-162.951.10000115.4R49R49-S51 VanDerWaalsContact C-N 3.33Å; R49-S51 PolarHBondContact O-N 2.86Å
52L56.3Low71.9Confident121 Ų12163.8 Ų63.863%0.63435%0.352SS*.SBendtrans-129.2141.8179.9-87.882.5000110.8
53A59Low71.9Confident93 Ų9367.5 Ų67.577%0.76937%0.37SS*.PPolyproline II helixtrans-54.6153.9166.900000111.6P55A53-P55 WeakPolarHBondContact O-CD 3.47Å
54L64.4Low72.5Confident64 Ų6471.3 Ų71.334%0.33539%0.388SS..PPolyproline II helixtrans-54.9123.2-174.7-169.278.2000110.8I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.06Å; I48-L54 HydrophobicContact CG1-CD1 4.32Å; L54-K56 PolarHBondContact O-N 3.18Å; L54-V140 HydrophobicContact CD1-CG1 3.68Å; L54-V140 HydrophobicContact CD2-CG1 3.71Å; L54-V140 HydrophobicContact CG-CG1 4.34Å
55P69.6Low72.8Confident42 Ų4266.9 Ų66.927%0.27336%0.362SS..PPolyproline II helixtrans-60.9125.5-177.1-23.933.3000111A53 L57 V58 G59A53-P55 WeakPolarHBondContact O-CD 3.47Å; P55-L57 PolarHBondContact O-N 3.4Å; P55-L57 VanDerWaalsContact O-N 3.1Å; P55-V58 HydrophobicContact CB-CG2 4.16Å; P55-V58 HydrophobicContact CG-CG2 4.44Å; P55-V58 WeakPolarHBondContact O-CB 3.34Å; P55-V58 PolarHBondContact O-N 3.45Å; P55-G59 PolarHBondContact O-N 3.19Å
56K74.5Confident73.3Confident190 Ų19069.2 Ų69.283%0.82637%0.372SS*.Hα-helixtrans-45-48.8-178.3-73.5-173175.8-177.10112L54 V58 G59 T60L54-K56 PolarHBondContact O-N 3.18Å; K56-V58 VanDerWaalsContact C-N 3.27Å; K56-V58 PolarHBondContact O-N 2.89Å; K56-G59 WeakPolarHBondContact O-CA 3.45Å; K56-G59 PolarHBondContact O-N 2.82Å; K56-T60 PolarHBondContact O-N 3.32Å; K56-T60 PolarHBondContact O-OG1 2.91Å
57L78.5Confident74.2Confident117 Ų11771.3 Ų71.361%0.61338%0.38SS*.Hα-helixtrans-53.6-36.5178.5-159.693.4000114.2L45 P55 F61L45-L57 HydrophobicContact CD2-CD2 4.07Å; P55-L57 PolarHBondContact O-N 3.4Å; P55-L57 VanDerWaalsContact O-N 3.1Å; L57-F61 VanDerWaalsContact O-CB 3.28Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 2.98Å
58V78.1Confident75.4Confident1 Ų171.9 Ų71.91%0.00638%0.377CS..Hα-helixtrans-75.5-40.2177.9176.60000110.5P46 P55 K56 F61 V62P46-V58 HydrophobicContact CG-CG2 3.87Å; P55-V58 HydrophobicContact CB-CG2 4.16Å; P55-V58 HydrophobicContact CG-CG2 4.44Å; P55-V58 WeakPolarHBondContact O-CB 3.34Å; P55-V58 PolarHBondContact O-N 3.45Å; K56-V58 VanDerWaalsContact C-N 3.27Å; K56-V58 PolarHBondContact O-N 2.89Å; V58-F61 PolarHBondContact O-N 3.41Å; V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 3.16Å; V58-V62 VanDerWaalsContact O-N 3.09Å
59G78.6Confident76.4Confident8 Ų870.9 Ų70.98%0.08237%0.372CS..Hα-helixtrans-60.8-48.8172.500000112.2P55 K56 F61 V62 I63P55-G59 PolarHBondContact O-N 3.19Å; K56-G59 WeakPolarHBondContact O-CA 3.45Å; K56-G59 PolarHBondContact O-N 2.82Å; G59-F61 PolarHBondContact O-N 2.93Å; G59-V62 PolarHBondContact O-N 2.86Å; G59-I63 WeakPolarHBondContact O-CG1 3.37Å; G59-I63 PolarHBondContact O-N 3.08Å
60T82.9Confident77.6Confident73 Ų7369.3 Ų69.345%0.44837%0.371SS..Hα-helixtrans-62.4-42.1178.1-40.50000111.8K56 I63 I64K56-T60 PolarHBondContact O-N 3.32Å; K56-T60 PolarHBondContact O-OG1 2.91Å; T60-I63 PolarHBondContact O-N 2.94Å; T60-I64 HydrophobicContact CG2-CD1 3.84Å; T60-I64 HydrophobicContact CG2-CG1 4.41Å; T60-I64 WeakPolarHBondContact O-CB 3.27Å; T60-I64 VanDerWaalsContact O-CG1 3.28Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.12Å
61F86.2Confident79.2Confident15 Ų1564 Ų647%0.06636%0.359CS..Hα-helixtrans-61.4-44.3176.7171-94.9000112.6L16 L38 V41 L45 L57 V58 G59 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.7Å; L16-F61 HydrophobicContact CD2-CZ 4.32Å; L38-F61 HydrophobicContact CD2-CE2 3.96Å; L38-F61 WeakPolarHBondContact O-CZ 3.35Å; V41-F61 HydrophobicContact CB-CE2 4.12Å; V41-F61 HydrophobicContact CG1-CD2 3.8Å; V41-F61 HydrophobicContact CG1-CE2 3.67Å; L45-F61 HydrophobicContact CD1-CB 4.41Å; L45-F61 HydrophobicContact CD1-CD1 3.4Å; L45-F61 HydrophobicContact CD1-CD2 4.35Å; L45-F61 HydrophobicContact CD1-CE1 3.62Å; L45-F61 HydrophobicContact CD1-CG 3.79Å; L45-F61 HydrophobicContact CD1-CZ 4.2Å; L45-F61 HydrophobicContact CD2-CB 4.34Å; L45-F61 HydrophobicContact CD2-CG 4.33Å; L57-F61 VanDerWaalsContact O-CB 3.28Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 2.98Å; V58-F61 PolarHBondContact O-N 3.41Å; G59-F61 PolarHBondContact O-N 2.93Å; F61-I64 PolarHBondContact O-N 3.37Å; F61-T65 WeakPolarHBondContact O-CB 3.49Å; F61-T65 PolarHBondContact O-N 3.05Å; F61-T65 PolarHBondContact O-OG1 3.23Å
62V84.7Confident80.5Confident0 Ų059.6 Ų59.60%033%0.328CS..Hα-helixtrans-65.4-40.3178.5170.80000111V58 G59 T65 F66 I137V58-V62 WeakPolarHBondContact O-CG2 3.34Å; V58-V62 PolarHBondContact O-N 3.16Å; V58-V62 VanDerWaalsContact O-N 3.09Å; G59-V62 PolarHBondContact O-N 2.86Å; V62-T65 PolarHBondContact O-N 3.3Å; V62-F66 PolarHBondContact O-N 3.07Å; V62-F66 VanDerWaalsContact O-N 3.11Å; V62-I137 HydrophobicContact CG1-CB 4.46Å; V62-I137 HydrophobicContact CG1-CG1 3.52Å
63I86Confident81.9Confident77 Ų7755.4 Ų55.440%0.39531%0.311SS..Hα-helixtrans-61.5-51172.9-68.6165.5000111.3G59 T60 T65 F66 L67 M141G59-I63 WeakPolarHBondContact O-CG1 3.37Å; G59-I63 PolarHBondContact O-N 3.08Å; T60-I63 PolarHBondContact O-N 2.94Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 2.88Å; I63-F66 PolarHBondContact O-N 3.42Å; I63-L67 HydrophobicContact CG2-CD1 3.71Å; I63-L67 HydrophobicContact CG2-CG 4.22Å; I63-L67 WeakPolarHBondContact O-CG 3.36Å; I63-L67 PolarHBondContact O-N 3.08Å; I63-M141 HydrophobicContact CD1-CE 3.9Å; I63-M141 HydrophobicContact CG1-CE 3.9Å
64I87.7Confident83.1Confident91 Ų9156.6 Ų56.647%0.46730%0.303SS..Hα-helixtrans-59.9-41.4-179.9-71.5168.1000111T60 F61 F66 L67 F68T60-I64 HydrophobicContact CG2-CD1 3.84Å; T60-I64 HydrophobicContact CG2-CG1 4.41Å; T60-I64 WeakPolarHBondContact O-CB 3.27Å; T60-I64 VanDerWaalsContact O-CG1 3.28Å; T60-I64 WeakPolarHBondContact O-CG1 3.31Å; T60-I64 PolarHBondContact O-N 3.12Å; F61-I64 PolarHBondContact O-N 3.37Å; I64-F66 PolarHBondContact O-N 3.43Å; I64-L67 PolarHBondContact O-N 2.98Å; I64-F68 WeakPolarHBondContact O-CB 3.47Å; I64-F68 PolarHBondContact O-N 3.48Å
65T87.2Confident84Confident0 Ų055 Ų550%030%0.303CS..Hα-helixtrans-61.5-45.7178.4-55.50000111.1L16 L20 L38 F61 V62 I63 F68 C69 A133L16-T65 HydrophobicContact CD1-CG2 4.19Å; L16-T65 HydrophobicContact CD2-CG2 4.37Å; L20-T65 HydrophobicContact CD1-CG2 4.22Å; L20-T65 HydrophobicContact CD2-CG2 4.4Å; L38-T65 HydrophobicContact CD1-CG2 4.4Å; F61-T65 WeakPolarHBondContact O-CB 3.49Å; F61-T65 PolarHBondContact O-N 3.05Å; F61-T65 PolarHBondContact O-OG1 3.23Å; V62-T65 PolarHBondContact O-N 3.3Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 2.88Å; T65-F68 PolarHBondContact O-N 3.08Å; T65-C69 PolarHBondContact O-N 2.88Å; T65-C69 PolarHBondContact O-SG 3.03Å; T65-A133 HydrophobicContact CG2-CB 4.5Å
66F88.7Confident84.4Confident56 Ų5653.2 Ų53.225%0.24629%0.291CS..Hα-helixtrans-65.4-46176.6175-102.4000112.6V62 I63 I64 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 3.07Å; V62-F66 VanDerWaalsContact O-N 3.11Å; I63-F66 PolarHBondContact O-N 3.42Å; I64-F66 PolarHBondContact O-N 3.43Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.04Å; F66-C69 PolarHBondContact O-N 2.96Å; F66-L70 HydrophobicContact CE1-CD2 4.37Å; F66-L70 VanDerWaalsContact O-CB 3.32Å; F66-L70 WeakPolarHBondContact O-CB 3.35Å; F66-L70 PolarHBondContact O-N 3.1Å; F66-A133 HydrophobicContact CB-CB 4.22Å; F66-A133 HydrophobicContact CD2-CB 4.24Å; F66-L134 HydrophobicContact CE2-CD1 4.34Å; F66-I137 HydrophobicContact CB-CD1 3.46Å; F66-I137 VanDerWaalsContact CB-CD1 3.46Å; F66-I137 HydrophobicContact CB-CG1 4.49Å; F66-I137 HydrophobicContact CD1-CD1 3.78Å; F66-I137 HydrophobicContact CD2-CD1 3.84Å; F66-I137 HydrophobicContact CE1-CD1 4.48Å; F66-I137 HydrophobicContact CG-CD1 3.41Å; F66-I137 VanDerWaalsContact CG-CD1 3.41Å
67L88.7Confident84.6Confident96 Ų9645.5 Ų45.550%0.50327%0.265SS..Hα-helixtrans-61-38.9177.4-70.8174.8000112.1I63 I64 A71I63-L67 HydrophobicContact CG2-CD1 3.71Å; I63-L67 HydrophobicContact CG2-CG 4.22Å; I63-L67 WeakPolarHBondContact O-CG 3.36Å; I63-L67 PolarHBondContact O-N 3.08Å; I64-L67 PolarHBondContact O-N 2.98Å; L67-A71 VanDerWaalsContact O-CB 3.3Å; L67-A71 WeakPolarHBondContact O-CB 3.46Å; L67-A71 PolarHBondContact O-N 3.4Å
68F90.3Very high84.8Confident65 Ų6543.4 Ų43.429%0.28526%0.261SS..Hα-helixtrans-64.8-49174.6-174.1-97.7000111.5Y35 L38 I64 T65 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.12Å; Y35-F68 AromaticContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CE1-CD1 4.07Å; Y35-F68 AromaticContact CE1-CE1 3.81Å; Y35-F68 HydrophobicContact CE1-CE1 3.81Å; L38-F68 HydrophobicContact CD1-CB 4.28Å; L38-F68 HydrophobicContact CD1-CD1 3.8Å; L38-F68 HydrophobicContact CD1-CE1 4.47Å; L38-F68 HydrophobicContact CD1-CG 4.15Å; I64-F68 WeakPolarHBondContact O-CB 3.47Å; I64-F68 PolarHBondContact O-N 3.48Å; T65-F68 PolarHBondContact O-N 3.08Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.04Å; F68-L70 VanDerWaalsContact C-N 3.3Å; F68-L70 PolarHBondContact O-N 2.97Å; F68-A71 PolarHBondContact O-N 3.34Å; F68-V72 HydrophobicContact CD1-CG2 4.24Å; F68-V72 HydrophobicContact CE1-CG2 3.84Å; F68-V72 HydrophobicContact CE2-CG2 4.33Å; F68-V72 HydrophobicContact CZ-CG2 3.89Å; F68-V72 WeakPolarHBondContact O-CG2 3.5Å; F68-V72 PolarHBondContact O-N 3.17Å
69C88.4Confident84.9Confident0 Ų044.8 Ų44.80%027%0.266CS..Hα-helixtrans-62-38.2178.1-61.20000112.1T65 F66 A73 A129 T130T65-C69 PolarHBondContact O-N 2.88Å; T65-C69 PolarHBondContact O-SG 3.03Å; F66-C69 PolarHBondContact O-N 2.96Å; C69-A73 WeakPolarHBondContact O-CB 3.36Å; C69-A73 PolarHBondContact O-N 2.79Å; C69-A129 HydrophobicContact CB-CB 4.43Å; C69-T130 HydrophobicContact CB-CG2 3.88Å
70L88.1Confident84.8Confident72 Ų7245.1 Ų45.138%0.37727%0.265SS..Hα-helixtrans-64.9-44.7175.2-171.972.4000111.6F66 F68 A73 L74F66-L70 HydrophobicContact CE1-CD2 4.37Å; F66-L70 VanDerWaalsContact O-CB 3.32Å; F66-L70 WeakPolarHBondContact O-CB 3.35Å; F66-L70 PolarHBondContact O-N 3.1Å; F68-L70 VanDerWaalsContact C-N 3.3Å; F68-L70 PolarHBondContact O-N 2.97Å; L70-A73 PolarHBondContact O-N 2.67Å; L70-L74 HydrophobicContact CG-CD1 4.17Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.33Å
71A87.7Confident84.6Confident61 Ų6147.2 Ų47.250%0.50427%0.273SS..Hα-helixtrans-65.2-40.3179.200000112.6L67 F68 L74 G75L67-A71 VanDerWaalsContact O-CB 3.3Å; L67-A71 WeakPolarHBondContact O-CB 3.46Å; L67-A71 PolarHBondContact O-N 3.4Å; F68-A71 PolarHBondContact O-N 3.34Å; A71-L74 PolarHBondContact O-N 2.92Å; A71-G75 PolarHBondContact O-N 3.29Å
72V85.4Confident84Confident10 Ų1049.3 Ų49.36%0.06129%0.289CS..Hα-helixtrans-68.1-43.7175.7-176.40000110.9L31 F68 L74 G75 V76 E126L31-V72 HydrophobicContact CD1-CG1 4.29Å; L31-V72 HydrophobicContact CD2-CG2 4.32Å; F68-V72 HydrophobicContact CD1-CG2 4.24Å; F68-V72 HydrophobicContact CE1-CG2 3.84Å; F68-V72 HydrophobicContact CE2-CG2 4.33Å; F68-V72 HydrophobicContact CZ-CG2 3.89Å; F68-V72 WeakPolarHBondContact O-CG2 3.5Å; F68-V72 PolarHBondContact O-N 3.17Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.14Å; V72-G75 PolarHBondContact O-N 3.32Å; V72-G75 VanDerWaalsContact O-N 3.14Å; V72-V76 HydrophobicContact CG1-CG2 4.4Å; V72-V76 WeakPolarHBondContact O-CG2 3.4Å; V72-V76 PolarHBondContact O-N 3.31Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.43Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.38Å
73A84.4Confident83.3Confident33 Ų3351 Ų5127%0.27330%0.297SS..Hα-helixtrans-59.8-40.2175.800000112.7C69 L70 G77 E126 T130C69-A73 WeakPolarHBondContact O-CB 3.36Å; C69-A73 PolarHBondContact O-N 2.79Å; L70-A73 PolarHBondContact O-N 2.67Å; A73-G77 PolarHBondContact O-N 3.21Å; A73-E126 HydrophobicContact CB-CB 4.43Å; A73-T130 HydrophobicContact CB-CG2 4.21Å
74L85.4Confident82.4Confident117 Ų11754.2 Ų54.261%0.61331%0.31SS*.Hα-helixtrans-66.4-40.3173.8-72.8168.8000112.4L70 A71 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.17Å; L70-L74 WeakPolarHBondContact O-CB 3.31Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.39Å; L70-L74 PolarHBondContact O-N 3.33Å; A71-L74 PolarHBondContact O-N 2.92Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.14Å; L74-G77 PolarHBondContact O-N 3.01Å; L74-S78 PolarHBondContact O-N 3.37Å; L74-S78 PolarHBondContact O-OG 3.42Å
75G82Confident81.5Confident31 Ų3155.5 Ų55.532%0.3232%0.322SS..Hα-helixtrans-68.9-34.8177.400000114A71 V72 S78 Y79A71-G75 PolarHBondContact O-N 3.29Å; V72-G75 PolarHBondContact O-N 3.32Å; V72-G75 VanDerWaalsContact O-N 3.14Å; G75-S78 PolarHBondContact O-OG 2.94Å; G75-S78 VanDerWaalsContact O-OG 3.14Å; G75-Y79 WeakPolarHBondContact O-CB 3.38Å; G75-Y79 PolarHBondContact O-N 3.45Å
76V79.6Confident80.5Confident5 Ų560.1 Ų60.13%0.0335%0.35CS..Hα-helixtrans-68.4-43.2169.5173.90000109.9V72 S78 Y79 Q80 L108 E126V72-V76 HydrophobicContact CG1-CG2 4.4Å; V72-V76 WeakPolarHBondContact O-CG2 3.4Å; V72-V76 PolarHBondContact O-N 3.31Å; V76-S78 PolarHBondContact O-N 2.63Å; V76-Y79 PolarHBondContact O-N 3.24Å; V76-Q80 HydrophobicContact CG1-CG 4.49Å; V76-Q80 WeakPolarHBondContact O-CG 3.46Å; V76-Q80 PolarHBondContact O-N 2.7Å; V76-L108 HydrophobicContact CG2-CD2 4.44Å; V76-E126 HydrophobicContact CG2-CG 4.49Å
77G78.9Confident79.1Confident28 Ų2861.4 Ų61.429%0.28936%0.357SS..Hα-helixtrans-57.6-47.5177.100000113.4A73 L74 Y79 Q80 I81A73-G77 PolarHBondContact O-N 3.21Å; L74-G77 PolarHBondContact O-N 3.01Å; G77-Y79 PolarHBondContact O-N 2.71Å; G77-Q80 PolarHBondContact O-N 2.85Å; G77-I81 WeakPolarHBondContact O-CD1 3.4Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.21Å; G77-I81 PolarHBondContact O-N 3.26Å; G77-I81 VanDerWaalsContact O-N 3.15Å
78S81.9Confident77.6Confident73 Ų7365.5 Ų65.551%0.5137%0.371SS..Hα-helixtrans-66.5-35.2177.960.60000113L74 G75 V76 I81 S82L74-S78 PolarHBondContact O-N 3.37Å; L74-S78 PolarHBondContact O-OG 3.42Å; G75-S78 PolarHBondContact O-OG 2.94Å; G75-S78 VanDerWaalsContact O-OG 3.14Å; V76-S78 PolarHBondContact O-N 2.63Å; S78-I81 PolarHBondContact O-N 3.23Å; S78-S82 PolarHBondContact O-N 3.26Å
79Y80.5Confident75.7Confident29 Ų2969.3 Ų69.311%0.11439%0.394CS..Hα-helixtrans-67.1-42.4175.2175.3-107.3000113.1G75 V76 G77 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 3.38Å; G75-Y79 PolarHBondContact O-N 3.45Å; V76-Y79 PolarHBondContact O-N 3.24Å; G77-Y79 PolarHBondContact O-N 2.71Å; Y79-I81 VanDerWaalsContact C-N 3.26Å; Y79-I81 PolarHBondContact O-N 3.42Å; Y79-S82 PolarHBondContact O-N 3.27Å; Y79-S82 PolarHBondContact O-OG 3.44Å; Y79-E83 HydrophobicContact CD1-CG 4.46Å; Y79-E83 HydrophobicContact CD2-CG 4.26Å; Y79-E83 HydrophobicContact CE1-CG 3.86Å; Y79-E83 HydrophobicContact CE2-CG 3.59Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.36Å; Y79-E83 PolarHBondContact O-N 3.3Å; Y79-E83 VanDerWaalsContact OH-CD 3.25Å; Y79-E83 WeakPolarHBondContact OH-CG 3.49Å; Y79-E83 PolarHBondContact OH-OE1 3.4Å; Y79-L108 HydrophobicContact CD1-CB 3.65Å; Y79-L108 HydrophobicContact CD1-CD2 4.4Å; Y79-L108 HydrophobicContact CD1-CG 4.48Å; Y79-L108 HydrophobicContact CD2-CB 4.07Å; Y79-L108 HydrophobicContact CD2-CD1 4.1Å; Y79-L108 VanDerWaalsContact CE1-C 3.47Å; Y79-L108 HydrophobicContact CE1-CB 3.84Å; Y79-L108 HydrophobicContact CE2-CB 4.27Å; Y79-L108 HydrophobicContact CG-CB 3.77Å; Y79-L108 HydrophobicContact CG-CD1 4.14Å; Y79-L108 HydrophobicContact CG-CD2 4.17Å; Y79-L108 HydrophobicContact CG-CG 4.23Å
80Q75.6Confident74Confident15 Ų1574 Ų747%0.0742%0.419CS..Hα-helixtrans-60.9-39.8173.7-59.6-60.4-1100110.8V76 G77 Q84 V109 F123V76-Q80 HydrophobicContact CG1-CG 4.49Å; V76-Q80 WeakPolarHBondContact O-CG 3.46Å; V76-Q80 PolarHBondContact O-N 2.7Å; G77-Q80 PolarHBondContact O-N 2.85Å; Q80-Q84 WeakPolarHBondContact O-CB 3.29Å; Q80-Q84 PolarHBondContact O-N 3.1Å; Q80-V109 PolarHBondContact NE2-O 2.88Å; Q80-F123 HydrophobicContact CG-CZ 4.12Å
81I78.3Confident72Confident118 Ų11881.9 Ų81.961%0.60544%0.444SS*.Hα-helixtrans-61.9-43.7175.7-68.1164.9000111.1G77 S78 Y79 V85G77-I81 WeakPolarHBondContact O-CD1 3.4Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.21Å; G77-I81 PolarHBondContact O-N 3.26Å; G77-I81 VanDerWaalsContact O-N 3.15Å; S78-I81 PolarHBondContact O-N 3.23Å; Y79-I81 VanDerWaalsContact C-N 3.26Å; Y79-I81 PolarHBondContact O-N 3.42Å; I81-V85 WeakPolarHBondContact O-CB 3.48Å; I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.47Å; I81-V85 PolarHBondContact O-N 3.16Å; I81-V85 VanDerWaalsContact O-N 3.13Å
82S74.4Confident70.1Confident59 Ų5985.4 Ų85.441%0.41346%0.459SS..Hα-helixtrans-69.4-43.6179.564.40000113S78 Y79 Q84 V85 V86S78-S82 PolarHBondContact O-N 3.26Å; Y79-S82 PolarHBondContact O-N 3.27Å; Y79-S82 PolarHBondContact O-OG 3.44Å; S82-Q84 VanDerWaalsContact C-N 3.32Å; S82-Q84 PolarHBondContact O-N 2.96Å; S82-V85 PolarHBondContact O-N 3.49Å; S82-V86 WeakPolarHBondContact O-CB 3.32Å; S82-V86 VanDerWaalsContact O-CG2 3.31Å; S82-V86 WeakPolarHBondContact O-CG2 3.4Å; S82-V86 PolarHBondContact O-N 2.9Å
83E69.2Low68.4Low34 Ų3490.5 Ų90.516%0.15948%0.478CS..Hα-helixtrans-58.1-44.3174.4-79.1-71.5159.700111.9Y79 V85 V86 H87 R110Y79-E83 HydrophobicContact CD1-CG 4.46Å; Y79-E83 HydrophobicContact CD2-CG 4.26Å; Y79-E83 HydrophobicContact CE1-CG 3.86Å; Y79-E83 HydrophobicContact CE2-CG 3.59Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.36Å; Y79-E83 PolarHBondContact O-N 3.3Å; Y79-E83 VanDerWaalsContact OH-CD 3.25Å; Y79-E83 WeakPolarHBondContact OH-CG 3.49Å; Y79-E83 PolarHBondContact OH-OE1 3.4Å; E83-V85 VanDerWaalsContact C-N 3.26Å; E83-V85 PolarHBondContact O-N 3.35Å; E83-V86 PolarHBondContact O-N 3.24Å; E83-H87 PolarHBondContact O-N 3.24Å; E83-H87 IonicContact OE2-CD2 2.9Å; E83-R110 HydrophobicContact CB-CG 4.4Å; E83-R110 HydrophobicContact CG-CG 4.35Å; E83-R110 IonicContact OE2-NE 2.83Å
84Q67.6Low67.1Low146 Ų14691.6 Ų91.668%0.68248%0.478SS*.Hα-helixtrans-76.1-13.7-175.9-162157.33.600113.5Q80 S82Q80-Q84 WeakPolarHBondContact O-CB 3.29Å; Q80-Q84 PolarHBondContact O-N 3.1Å; S82-Q84 VanDerWaalsContact C-N 3.32Å; S82-Q84 PolarHBondContact O-N 2.96Å
85V69.2Low65.8Low117 Ų11789.4 Ų89.471%0.70947%0.472SS*.Hα-helixtrans-88.5-41.1168.3167.80000112I81 S82 E83I81-V85 WeakPolarHBondContact O-CB 3.48Å; I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.47Å; I81-V85 PolarHBondContact O-N 3.16Å; I81-V85 VanDerWaalsContact O-N 3.13Å; S82-V85 PolarHBondContact O-N 3.49Å; E83-V85 VanDerWaalsContact C-N 3.26Å; E83-V85 PolarHBondContact O-N 3.35Å
86V67.2Low64.5Low97 Ų9795.7 Ų95.759%0.58850%0.499SS*.Hα-helixtrans-92.9-37.5-168.3-179.50000113.7S82 E83S82-V86 WeakPolarHBondContact O-CB 3.32Å; S82-V86 VanDerWaalsContact O-CG2 3.31Å; S82-V86 WeakPolarHBondContact O-CG2 3.4Å; S82-V86 PolarHBondContact O-N 2.9Å; E83-V86 PolarHBondContact O-N 3.24Å
87H58.9Low63.7Low84 Ų84100.7 Ų100.739%0.38952%0.517SS..  trans-125.486.4-170.4-68.9-46.9000112.4E83 R110E83-H87 PolarHBondContact O-N 3.24Å; E83-H87 IonicContact OE2-CD2 2.9Å; H87-R110 PolarHBondContact O-NH2 2.77Å
88K56Low63Low182 Ų182103.3 Ų103.379%0.79153%0.53SS*.  trans-90.2-31.6-169.4-147.8171.2-172.51760116
89N51.9Low62.2Low144 Ų144102.8 Ų102.877%0.7752%0.522SS*.SBendtrans-122.3-26.9-166.2-83.35.3000117.5R91N89-R91 PolarHBondContact O-N 3.44Å
90D50.8Low61.4Low98 Ų98103.5 Ų103.552%0.52453%0.53SS..  trans-78.5123.9-169.5-67.4-49.7000114
91R46.9Very low60.8Low239 Ų239106.3 Ų106.390%0.90255%0.548SS*.SBendtrans-91.6-20.2176.4-70.4-177.3174.5176.1-2.1113.9N89N89-R91 PolarHBondContact O-N 3.44Å
92T48Very low60.4Low134 Ų134105 Ų10582%0.82254%0.542SS*.SBendtrans-100.5-5.6-169.544.20000114.5I94T92-I94 VanDerWaalsContact C-N 3.33Å; T92-I94 PolarHBondContact O-N 3.13Å
93Y49.6Very low60.3Low117 Ų117106.2 Ų106.246%0.45954%0.54SS..SBendtrans-79.1-4.1-164.7-155.2-103.2000115.7R97Y93-R97 PolarHBondContact OH-NH1 3.36Å
94I56.2Low60.3Low56 Ų56108 Ų10829%0.28755%0.545SS..SBendtrans-100-39.4-150.5-54.4176.9000114.8T92 N96 T100T92-I94 VanDerWaalsContact C-N 3.33Å; T92-I94 PolarHBondContact O-N 3.13Å; I94-N96 PolarHBondContact O-N 3.28Å; I94-T100 PolarHBondContact O-OG1 3.28Å; I94-T100 VanDerWaalsContact O-OG1 3.11Å
95C58.6Low60.6Low71 Ų71101.3 Ų101.348%0.4851%0.514SS..THydrogen-bonded Turntrans-78-9.2-168.8-73.20000116.1C285C95-C285 HydrophobicContact CB-CB 3.91Å; C95-C285 WeakPolarHBondContact CB-SG 3.44Å; C95-C285 WeakPolarHBondContact SG-CB 3.26Å; C95-C285 CovalentContact SG-SG 2.06Å; C95-C285 PolarHBondContact SG-SG 3.36Å
96N56Low61Low164 Ų16498.3 Ų98.388%0.87749%0.494SS*.THydrogen-bonded Turntrans-12816.4-164.5-152.721.1000115.5I94I94-N96 PolarHBondContact O-N 3.28Å
97R62.1Low61.2Low110 Ų11093.7 Ų93.742%0.41547%0.466SS..  trans-119.7120.6-178-175.2170.2174.4144.56.2111.6Y93 D99 T100 T101Y93-R97 PolarHBondContact OH-NH1 3.36Å; R97-D99 HydrophobicContact CG-CB 4.44Å; R97-D99 IonicContact CZ-OD2 3.2Å; R97-D99 IonicContact NE-OD2 2.75Å; R97-D99 PolarHBondContact NE-OD2 2.98Å; R97-D99 IonicContact NH2-OD2 2.76Å; R97-D99 PolarHBondContact NH2-OD2 2.92Å; R97-D99 PolarHBondContact O-N 3.12Å; R97-D99 VanDerWaalsContact O-N 3.09Å; R97-T100 HydrophobicContact CB-CG2 4.26Å; R97-T100 PolarHBondContact O-N 3.19Å; R97-T100 PolarHBondContact O-OG1 2.85Å; R97-T101 PolarHBondContact O-N 2.97Å
98S63.3Low61.9Low82 Ų8291.3 Ų91.357%0.57346%0.455SS*.Hα-helixtrans-38.4-51.3179.142.10000113.5T100 T101 L102S98-T100 VanDerWaalsContact C-N 3.29Å; S98-T100 PolarHBondContact O-N 2.94Å; S98-T101 PolarHBondContact O-N 2.92Å; S98-T101 PolarHBondContact O-OG1 3.37Å; S98-L102 PolarHBondContact O-N 2.85Å
99D65.5Low62.6Low62 Ų6285.3 Ų85.333%0.33243%0.434SS..Hα-helixtrans-59.9-41.6-171.9-40.4-15.1000110.8R97 L102 F103R97-D99 HydrophobicContact CG-CB 4.44Å; R97-D99 IonicContact CZ-OD2 3.2Å; R97-D99 IonicContact NE-OD2 2.75Å; R97-D99 PolarHBondContact NE-OD2 2.98Å; R97-D99 IonicContact NH2-OD2 2.76Å; R97-D99 PolarHBondContact NH2-OD2 2.92Å; R97-D99 PolarHBondContact O-N 3.12Å; R97-D99 VanDerWaalsContact O-N 3.09Å; D99-L102 PolarHBondContact O-N 3.37Å; D99-F103 HydrophobicContact CB-CE2 4.38Å; D99-F103 WeakPolarHBondContact O-CD2 3.41Å; D99-F103 PolarHBondContact O-N 3.01Å
100T63.7Low63.3Low45 Ų4581.6 Ų81.628%0.27641%0.409SS..Hα-helixtrans-67.6-38.1178.369.10000112I94 R97 S98 L102 R104I94-T100 PolarHBondContact O-OG1 3.28Å; I94-T100 VanDerWaalsContact O-OG1 3.11Å; R97-T100 HydrophobicContact CB-CG2 4.26Å; R97-T100 PolarHBondContact O-N 3.19Å; R97-T100 PolarHBondContact O-OG1 2.85Å; S98-T100 VanDerWaalsContact C-N 3.29Å; S98-T100 PolarHBondContact O-N 2.94Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.35Å; T100-R104 VanDerWaalsContact O-CB 3.24Å; T100-R104 WeakPolarHBondContact O-CB 3.42Å; T100-R104 PolarHBondContact O-N 3.39Å
101T63.9Low64.1Low73 Ų7381.1 Ų81.145%0.44840%0.403SS..Hα-helixtrans-67.1-34.7175.673.10000111.5R97 S98 S105R97-T101 PolarHBondContact O-N 2.97Å; S98-T101 PolarHBondContact O-N 2.92Å; S98-T101 PolarHBondContact O-OG1 3.37Å; T101-S105 WeakPolarHBondContact O-CB 3.5Å; T101-S105 PolarHBondContact O-N 2.89Å
102L69.2Low64.7Low92 Ų9271.7 Ų71.748%0.48237%0.369SS..Hα-helixtrans-70.1-49.2178.1-162.3154.9000110.4S98 D99 T100 R104 S105 I106S98-L102 PolarHBondContact O-N 2.85Å; D99-L102 PolarHBondContact O-N 3.37Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.35Å; L102-R104 PolarHBondContact O-N 2.85Å; L102-S105 PolarHBondContact O-N 3.31Å; L102-S105 VanDerWaalsContact O-N 3.13Å; L102-S105 PolarHBondContact O-OG 2.86Å; L102-I106 HydrophobicContact CD2-CD1 3.64Å; L102-I106 HydrophobicContact CD2-CG1 4.32Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.38Å
103F73.6Confident65.1Low84 Ų8470.5 Ų70.537%0.36836%0.363SS..Hα-helixtrans-60.5-41.8173.2-68.6-55.5000112.7D99 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CE2 4.38Å; D99-F103 WeakPolarHBondContact O-CD2 3.41Å; D99-F103 PolarHBondContact O-N 3.01Å; F103-S105 VanDerWaalsContact C-N 3.29Å; F103-S105 PolarHBondContact O-N 3.48Å; F103-I106 HydrophobicContact CD1-CD1 4.47Å; F103-I106 PolarHBondContact O-N 3.07Å; F103-G107 PolarHBondContact O-N 3.09Å; F103-L108 CarbonylContact C-O 3.53Å; F103-L108 HydrophobicContact CB-CB 4.33Å; F103-L108 HydrophobicContact CD1-CD1 4.14Å; F103-L108 PolarHBondContact O-N 3.14Å
104R68.8Low65.2Low71 Ų7169.8 Ų69.827%0.26837%0.371SS..Hα-helixtrans-57.1-41.2172.6-170.3174.299.7156.84.4111.7T100 L102 G107 S283T100-R104 VanDerWaalsContact O-CB 3.24Å; T100-R104 WeakPolarHBondContact O-CB 3.42Å; T100-R104 PolarHBondContact O-N 3.39Å; L102-R104 PolarHBondContact O-N 2.85Å; R104-G107 PolarHBondContact O-N 3.43Å; R104-S283 PolarHBondContact NH1-O 3.37Å; R104-S283 PolarHBondContact NH2-O 2.92Å; R104-S283 PolarHBondContact NH2-OG 3.46Å
105S73.1Confident64.6Low5 Ų570 Ų704%0.03539%0.388CS..Hα-helixtrans-71.6-34.4178.279.80000113.6S29 F30 T101 L102 F103 G107S29-S105 CarbonylContact C-O 3.59Å; S29-S105 WeakPolarHBondContact CA-O 3.2Å; S29-S105 WeakPolarHBondContact CB-O 3.32Å; F30-S105 VanDerWaalsContact CD2-O 3.3Å; F30-S105 WeakPolarHBondContact CD2-O 3.38Å; F30-S105 PolarHBondContact N-O 2.88Å; T101-S105 WeakPolarHBondContact O-CB 3.5Å; T101-S105 PolarHBondContact O-N 2.89Å; L102-S105 PolarHBondContact O-N 3.31Å; L102-S105 VanDerWaalsContact O-N 3.13Å; L102-S105 PolarHBondContact O-OG 2.86Å; F103-S105 VanDerWaalsContact C-N 3.29Å; F103-S105 PolarHBondContact O-N 3.48Å; S105-G107 VanDerWaalsContact C-N 3.33Å
106I77.8Confident64.5Low55 Ų5573 Ų7328%0.28240%0.404SS..Hα-helixtrans-63.3-43.9171.8-69.6171.2000109.7S29 F30 L31 L102 F103 L108S29-I106 VanDerWaalsContact CB-O 3.26Å; S29-I106 WeakPolarHBondContact CB-O 3.33Å; S29-I106 PolarHBondContact OG-O 3.1Å; F30-I106 PolarHBondContact N-O 2.78Å; L31-I106 WeakPolarHBondContact CB-O 3.36Å; L31-I106 HydrophobicContact CD1-CG2 3.97Å; L31-I106 WeakPolarHBondContact CD1-O 3.33Å; L31-I106 HydrophobicContact CG-CG2 4.1Å; L31-I106 VanDerWaalsContact CG-O 3.3Å; L31-I106 WeakPolarHBondContact CG-O 3.43Å; L31-I106 PolarHBondContact N-O 2.89Å; L31-I106 VanDerWaalsContact N-O 3.08Å; L102-I106 HydrophobicContact CD2-CD1 3.64Å; L102-I106 HydrophobicContact CD2-CG1 4.32Å; L102-I106 WeakPolarHBondContact O-CG1 3.34Å; L102-I106 PolarHBondContact O-N 3.38Å; F103-I106 HydrophobicContact CD1-CD1 4.47Å; F103-I106 PolarHBondContact O-N 3.07Å; I106-L108 HydrophobicContact CG2-CG 4.25Å
107G70.5Confident64.6Low0 Ų071.1 Ų71.10%039%0.388CS..THydrogen-bonded Turntrans120.710.8-178.300000114.1R27 S29 F103 R104 S105 V109R27-G107 PolarHBondContact NE-O 2.72Å; S29-G107 VanDerWaalsContact CB-CA 3.46Å; S29-G107 VanDerWaalsContact OG-CA 3.3Å; S29-G107 WeakPolarHBondContact OG-CA 3.27Å; F103-G107 PolarHBondContact O-N 3.09Å; R104-G107 PolarHBondContact O-N 3.43Å; S105-G107 VanDerWaalsContact C-N 3.33Å; G107-V109 PolarHBondContact O-N 2.73Å
108L75.1Confident64.3Low33 Ų3369.1 Ų69.117%0.17338%0.383CS..  trans-84.9104.9171.8-63.1-176.4000107.5V76 Y79 F103 I106V76-L108 HydrophobicContact CG2-CD2 4.44Å; Y79-L108 HydrophobicContact CD1-CB 3.65Å; Y79-L108 HydrophobicContact CD1-CD2 4.4Å; Y79-L108 HydrophobicContact CD1-CG 4.48Å; Y79-L108 HydrophobicContact CD2-CB 4.07Å; Y79-L108 HydrophobicContact CD2-CD1 4.1Å; Y79-L108 VanDerWaalsContact CE1-C 3.47Å; Y79-L108 HydrophobicContact CE1-CB 3.84Å; Y79-L108 HydrophobicContact CE2-CB 4.27Å; Y79-L108 HydrophobicContact CG-CB 3.77Å; Y79-L108 HydrophobicContact CG-CD1 4.14Å; Y79-L108 HydrophobicContact CG-CD2 4.17Å; Y79-L108 HydrophobicContact CG-CG 4.23Å; F103-L108 CarbonylContact C-O 3.53Å; F103-L108 HydrophobicContact CB-CB 4.33Å; F103-L108 HydrophobicContact CD1-CD1 4.14Å; F103-L108 PolarHBondContact O-N 3.14Å; I106-L108 HydrophobicContact CG2-CG 4.25Å
109V69.4Low64.1Low56 Ų5666.4 Ų66.434%0.33937%0.365SS..  trans-125.4120.4-170.5-178.40000109.7Q80 G107Q80-V109 PolarHBondContact NE2-O 2.88Å; G107-V109 PolarHBondContact O-N 2.73Å
110R66.8Low64.1Low66 Ų6666.7 Ų66.725%0.24937%0.368CS..PPolyproline II helixtrans-61.6136.6-177.3-171.7-179.9-175.1-148.86.3111.7E83 H87 H112E83-R110 HydrophobicContact CB-CG 4.4Å; E83-R110 HydrophobicContact CG-CG 4.35Å; E83-R110 IonicContact OE2-NE 2.83Å; H87-R110 PolarHBondContact O-NH2 2.77Å; R110-H112 PolarHBondContact O-N 3.16Å
111F67.3Low64.2Low88 Ų8865.4 Ų65.439%0.38636%0.359SS..PPolyproline II helixtrans-66.2123.9173.4173.6-102.4000111.7P113 F123F111-P113 HydrophobicContact CE1-CB 4.41Å; F111-F123 HydrophobicContact CB-CE2 4.49Å; F111-F123 HydrophobicContact CD2-CD2 4.41Å; F111-F123 AromaticContact CD2-CE2 3.77Å; F111-F123 HydrophobicContact CD2-CE2 3.77Å; F111-F123 HydrophobicContact CE2-CE2 4.42Å; F111-F123 HydrophobicContact CG-CE2 4.41Å
112H60.3Low64.4Low41 Ų4162.2 Ų62.219%0.1934%0.34CS..PPolyproline II helixtrans-100.5130173.9-92.5-97.8000111.9R110 T114 S119 W288R110-H112 PolarHBondContact O-N 3.16Å; H112-T114 VanDerWaalsContact C-N 3.31Å; H112-T114 PolarHBondContact O-N 3.38Å; H112-S119 PolarHBondContact O-OG 3.44Å; H112-W288 AromaticContact CD2-CZ3 3.95Å; H112-W288 AromaticContact CE1-CH2 3.43Å; H112-W288 VanDerWaalsContact CE1-CH2 3.43Å; H112-W288 WeakPolarHBondContact CE1-CH2 3.34Å; H112-W288 AromaticContact CG-CH2 3.98Å; H112-W288 AromaticContact CG-CZ3 3.89Å; H112-W288 AromaticContact ND1-CH2 3.56Å; H112-W288 AromaticContact ND1-CZ3 3.96Å; H112-W288 AromaticContact NE2-CH2 3.8Å
113P55.9Low64.7Low109 Ų10961.9 Ų61.971%0.70833%0.334SS*.SBendtrans-85.23.3-173.735.2-38.1000114.4F111F111-P113 HydrophobicContact CE1-CB 4.41Å
114T52.2Low64.8Low103 Ų10361 Ų6163%0.63233%0.333SS*.SBendtrans-108.9120.5176.940.90000107.6H112H112-T114 VanDerWaalsContact C-N 3.31Å; H112-T114 PolarHBondContact O-N 3.38Å
115G44.5Very low65.2Low61 Ų6157.7 Ų57.763%0.62932%0.321SS*.  trans-73.2176.6-170.600000114.3
116T55.6Low65.7Low134 Ų13457.9 Ų57.982%0.82232%0.321SS*.SBendcis-134.1-17.519.749.70000116T120T116-T120 PolarHBondContact O-OG1 2.67Å
117F58.4Low66.1Low124 Ų12460.1 Ų60.154%0.54433%0.332SS..SBendtrans-101.3-27.3179.5-168.5-108.1000113.7T120 R121F117-T120 VanDerWaalsContact C-OG1 3.24Å; F117-T120 WeakPolarHBondContact CA-OG1 3.47Å; F117-T120 PolarHBondContact O-OG1 3.24Å; F117-R121 WeakPolarHBondContact O-CB 3.41Å; F117-R121 PolarHBondContact O-N 2.8Å
118E55.1Low66.8Low68 Ų6862.2 Ų62.232%0.31834%0.343SS..Hα-helixtrans-79-40.4-173.5-59.5-159.1116.600113.3T120 R121 A122 W288E118-T120 PolarHBondContact O-N 3.5Å; E118-R121 WeakPolarHBondContact O-CB 3.43Å; E118-R121 PolarHBondContact O-N 3.32Å; E118-A122 PolarHBondContact O-N 2.91Å; E118-W288 VanDerWaalsContact OE2-CZ3 3.24Å; E118-W288 WeakPolarHBondContact OE2-CZ3 3.41Å
119S60.5Low67.3Low25 Ų2560.6 Ų60.618%0.17534%0.335CS..Hα-helixtrans-57.7-36.5173.5-41.50000111.6H112H112-S119 PolarHBondContact O-OG 3.44Å
120T64.2Low68.2Low67 Ų6759.8 Ų59.841%0.41133%0.33SS..Hα-helixtrans-70.4-41.8171.234.30000112.5T116 F117 E118 A122 F123 L124T116-T120 PolarHBondContact O-OG1 2.67Å; F117-T120 VanDerWaalsContact C-OG1 3.24Å; F117-T120 WeakPolarHBondContact CA-OG1 3.47Å; F117-T120 PolarHBondContact O-OG1 3.24Å; E118-T120 PolarHBondContact O-N 3.5Å; T120-A122 PolarHBondContact O-N 3Å; T120-F123 PolarHBondContact O-N 3.43Å; T120-F123 VanDerWaalsContact O-N 3.14Å; T120-L124 WeakPolarHBondContact O-CB 3.21Å; T120-L124 PolarHBondContact O-N 3.37Å
121R66.1Low69.1Low19 Ų1959.9 Ų59.97%0.07234%0.341CS..Hα-helixtrans-61.1-26.7-176.8-173171.2177.3-169.1-12.2114I26 F117 E118 P125 M281 W289I26-R121 HydrophobicContact CG2-CG 3.98Å; I26-R121 WeakPolarHBondContact O-CG 3.48Å; I26-R121 PolarHBondContact O-NE 3.4Å; F117-R121 WeakPolarHBondContact O-CB 3.41Å; F117-R121 PolarHBondContact O-N 2.8Å; E118-R121 WeakPolarHBondContact O-CB 3.43Å; E118-R121 PolarHBondContact O-N 3.32Å; R121-P125 VanDerWaalsContact O-CD 3.25Å; R121-P125 WeakPolarHBondContact O-CD 3.48Å; R121-M281 VanDerWaalsContact NH2-CE 3.27Å; R121-W289 VanDerWaalsContact NH2-CE2 3.32Å; R121-W289 VanDerWaalsContact NH2-CH2 3.32Å; R121-W289 VanDerWaalsContact NH2-CZ2 3.31Å; R121-W289 VanDerWaalsContact NH2-CZ3 3.35Å
122A67.3Low70Confident6 Ų656.2 Ų56.25%0.0533%0.327CS..Hα-helixtrans-65.6-40175.100000113.4E118 T120E118-A122 PolarHBondContact O-N 2.91Å; T120-A122 PolarHBondContact O-N 3Å
123F75.3Confident71.2Confident85 Ų8554.2 Ų54.237%0.37332%0.317SS..Hα-helixtrans-110.1-29.6-171.6-70.4-77.1000114.8Q80 F111 T120 P125 E126 I127Q80-F123 HydrophobicContact CG-CZ 4.12Å; F111-F123 HydrophobicContact CB-CE2 4.49Å; F111-F123 HydrophobicContact CD2-CD2 4.41Å; F111-F123 AromaticContact CD2-CE2 3.77Å; F111-F123 HydrophobicContact CD2-CE2 3.77Å; F111-F123 HydrophobicContact CE2-CE2 4.42Å; F111-F123 HydrophobicContact CG-CE2 4.41Å; T120-F123 PolarHBondContact O-N 3.43Å; T120-F123 VanDerWaalsContact O-N 3.14Å; F123-P125 VanDerWaalsContact C-CD 3.46Å; F123-E126 PolarHBondContact O-N 3.36Å; F123-E126 VanDerWaalsContact O-N 3.16Å; F123-I127 HydrophobicContact CB-CD1 4.28Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.1Å; F123-I127 VanDerWaalsContact O-N 3.14Å
124L76.4Confident72.8Confident66 Ų6653.2 Ų53.235%0.34631%0.305SS..Hα-helixtrans-56.3-40.6-175.5-176.465.1000114.2I26 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.18Å; I26-L124 HydrophobicContact CD1-CG 4.41Å; T120-L124 WeakPolarHBondContact O-CB 3.21Å; T120-L124 PolarHBondContact O-N 3.37Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-E126 PolarHBondContact O-N 3.05Å; L124-I127 PolarHBondContact O-N 2.86Å; L124-I128 HydrophobicContact CD1-CD1 3.98Å; L124-I128 HydrophobicContact CD1-CG1 4.16Å; L124-I128 HydrophobicContact CD2-CD1 4.49Å; L124-I128 HydrophobicContact CG-CD1 3.81Å; L124-I128 HydrophobicContact CG-CG1 4.4Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.12Å; L124-I128 PolarHBondContact O-N 2.78Å
125P78.2Confident74.4Confident0 Ų052 Ų520%030%0.295CS..Hα-helixtrans-57.7-45175.3-24.634.2000113A23 I26 R27 R121 F123 I128 A129A23-P125 HydrophobicContact CB-CB 4.1Å; A23-P125 WeakPolarHBondContact CB-O 3.25Å; I26-P125 HydrophobicContact CB-CG 4.08Å; I26-P125 HydrophobicContact CG2-CG 3.68Å; R27-P125 HydrophobicContact CB-CG 3.95Å; R121-P125 VanDerWaalsContact O-CD 3.25Å; R121-P125 WeakPolarHBondContact O-CD 3.48Å; F123-P125 VanDerWaalsContact C-CD 3.46Å; P125-I128 PolarHBondContact O-N 2.68Å; P125-A129 VanDerWaalsContact O-CB 3.32Å; P125-A129 WeakPolarHBondContact O-CB 3.38Å; P125-A129 PolarHBondContact O-N 2.89Å
126E83.5Confident76.3Confident10 Ų1049.1 Ų49.15%0.04727%0.265CS..Hα-helixtrans-66.8-40.2-178-50-58.315900110.5R27 Y35 V72 A73 V76 F123 L124 A129 T130R27-E126 IonicContact CZ-OE1 2.72Å; R27-E126 IonicContact NH1-OE1 2.73Å; R27-E126 PolarHBondContact NH1-OE1 3.38Å; R27-E126 IonicContact NH2-OE1 3.97Å; R27-E126 PolarHBondContact NH2-OE1 3.19Å; Y35-E126 PolarHBondContact OH-OE1 2.66Å; Y35-E126 PolarHBondContact OH-OE2 3.24Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.43Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.38Å; A73-E126 HydrophobicContact CB-CB 4.43Å; V76-E126 HydrophobicContact CG2-CG 4.49Å; F123-E126 PolarHBondContact O-N 3.36Å; F123-E126 VanDerWaalsContact O-N 3.16Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-E126 PolarHBondContact O-N 3.05Å; E126-A129 PolarHBondContact O-N 2.73Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.14Å; E126-T130 VanDerWaalsContact O-CG2 3.29Å; E126-T130 WeakPolarHBondContact O-CG2 3.45Å; E126-T130 PolarHBondContact O-N 3.28Å; E126-T130 PolarHBondContact O-OG1 3.08Å
127I84.9Confident77.7Confident101 Ų10144 Ų4452%0.51823%0.232SC..Hα-helixtrans-63.5-46.4176.7-65.1166.6000110.9F123 L124 T130 S131F123-I127 HydrophobicContact CB-CD1 4.28Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.1Å; F123-I127 VanDerWaalsContact O-N 3.14Å; L124-I127 PolarHBondContact O-N 2.86Å; I127-T130 PolarHBondContact O-OG1 3.03Å; I127-S131 WeakPolarHBondContact O-CB 3.41Å; I127-S131 PolarHBondContact O-N 3.04Å; I127-S131 PolarHBondContact O-OG 3.06Å
128I86.5Confident78.9Confident44 Ų4441.6 Ų41.623%0.22622%0.224CC..Hα-helixtrans-63.1-47.5178.1-67.4170.7000110.5A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 4.03Å; A19-I128 WeakPolarHBondContact O-CG2 3.5Å; I26-I128 HydrophobicContact CD1-CD1 3.71Å; L124-I128 HydrophobicContact CD1-CD1 3.98Å; L124-I128 HydrophobicContact CD1-CG1 4.16Å; L124-I128 HydrophobicContact CD2-CD1 4.49Å; L124-I128 HydrophobicContact CG-CD1 3.81Å; L124-I128 HydrophobicContact CG-CG1 4.4Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.12Å; L124-I128 PolarHBondContact O-N 2.78Å; P125-I128 PolarHBondContact O-N 2.68Å; I128-S131 PolarHBondContact O-OG 3.02Å; I128-A132 VanDerWaalsContact O-CB 3.28Å; I128-A132 WeakPolarHBondContact O-CB 3.28Å; I128-A132 PolarHBondContact O-N 3.36Å; I128-A132 VanDerWaalsContact O-N 3.15Å
129A85.4Confident80.1Confident0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-67-48-177.600000112.5A23 Y35 C69 P125 E126 A133A23-A129 HydrophobicContact CB-CB 4.21Å; Y35-A129 HydrophobicContact CE1-CB 4.12Å; C69-A129 HydrophobicContact CB-CB 4.43Å; P125-A129 VanDerWaalsContact O-CB 3.32Å; P125-A129 WeakPolarHBondContact O-CB 3.38Å; P125-A129 PolarHBondContact O-N 2.89Å; E126-A129 PolarHBondContact O-N 2.73Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 3.4Å
130T87.3Confident80.9Confident39 Ų3938.6 Ų38.624%0.23921%0.208CC..Hα-helixtrans-67.5-42.2-179.654.90000112.7C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.88Å; A73-T130 HydrophobicContact CB-CG2 4.21Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.14Å; E126-T130 VanDerWaalsContact O-CG2 3.29Å; E126-T130 WeakPolarHBondContact O-CG2 3.45Å; E126-T130 PolarHBondContact O-N 3.28Å; E126-T130 PolarHBondContact O-OG1 3.08Å; I127-T130 PolarHBondContact O-OG1 3.03Å; T130-A133 PolarHBondContact O-N 3.25Å; T130-L134 WeakPolarHBondContact O-CB 3.43Å; T130-L134 PolarHBondContact O-N 3.05Å
131S86.4Confident81.5Confident67 Ų6739.4 Ų39.447%0.46921%0.209SC..Hα-helixtrans-66.2-41178.3620000112.6I127 I128 L134 L135I127-S131 WeakPolarHBondContact O-CB 3.41Å; I127-S131 PolarHBondContact O-N 3.04Å; I127-S131 PolarHBondContact O-OG 3.06Å; I128-S131 PolarHBondContact O-OG 3.02Å; S131-L134 PolarHBondContact O-N 3.25Å; S131-L135 WeakPolarHBondContact O-CB 3.27Å; S131-L135 PolarHBondContact O-N 3.45Å
132A85.8Confident81.7Confident11 Ų1146.3 Ų46.39%0.09124%0.239CC..Hα-helixtrans-67.1-37.9174.900000112.8L16 A19 I128 L135 T136L16-A132 HydrophobicContact CD1-CB 4.4Å; A19-A132 HydrophobicContact CB-CB 3.4Å; I128-A132 VanDerWaalsContact O-CB 3.28Å; I128-A132 WeakPolarHBondContact O-CB 3.28Å; I128-A132 PolarHBondContact O-N 3.36Å; I128-A132 VanDerWaalsContact O-N 3.15Å; A132-L135 PolarHBondContact O-N 2.99Å; A132-T136 PolarHBondContact O-N 2.89Å; A132-T136 PolarHBondContact O-OG1 3.35Å
133A86.3Confident81.7Confident0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-66.9-41174.700000112.1T65 F66 A129 T130 T136 I137T65-A133 HydrophobicContact CG2-CB 4.5Å; F66-A133 HydrophobicContact CB-CB 4.22Å; F66-A133 HydrophobicContact CD2-CB 4.24Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 3.4Å; T130-A133 PolarHBondContact O-N 3.25Å; A133-T136 WeakPolarHBondContact CA-OG1 3.27Å; A133-T136 PolarHBondContact O-N 2.66Å; A133-T136 PolarHBondContact O-OG1 3.47Å; A133-I137 PolarHBondContact O-N 3.2Å
134L88.1Confident80.8Confident87 Ų8747.5 Ų47.546%0.45526%0.255SS..Hα-helixtrans-63.1-44.3174.3-174.868000111.5F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.34Å; T130-L134 WeakPolarHBondContact O-CB 3.43Å; T130-L134 PolarHBondContact O-N 3.05Å; S131-L134 PolarHBondContact O-N 3.25Å; L134-T136 VanDerWaalsContact C-N 3.35Å; L134-T136 PolarHBondContact O-N 2.7Å; L134-I137 PolarHBondContact O-N 2.83Å; L134-I138 HydrophobicContact CG-CD1 4.07Å; L134-I138 WeakPolarHBondContact O-CG1 3.35Å; L134-I138 PolarHBondContact O-N 3.15Å
135L86Confident79.7Confident78 Ų7847.3 Ų47.341%0.40825%0.252SS..Hα-helixtrans-62.7-39.8177.7-163.984.2000111.9L15 S131 A132 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.62Å; S131-L135 WeakPolarHBondContact O-CB 3.27Å; S131-L135 PolarHBondContact O-N 3.45Å; A132-L135 PolarHBondContact O-N 2.99Å; L135-I138 PolarHBondContact O-N 2.86Å; L135-I139 HydrophobicContact CD1-CD1 4.45Å; L135-I139 HydrophobicContact CD2-CD1 4.13Å; L135-I139 HydrophobicContact CG-CD1 3.88Å; L135-I139 WeakPolarHBondContact O-CB 3.36Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 2.96Å
136T83.9Confident78.1Confident0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-66.3-39.8174.6480000112.2V11 L16 A132 A133 L134 V140V11-T136 HydrophobicContact CG1-CG2 3.54Å; L16-T136 HydrophobicContact CB-CG2 3.87Å; L16-T136 HydrophobicContact CD1-CG2 4.13Å; L16-T136 HydrophobicContact CD2-CG2 4.08Å; L16-T136 HydrophobicContact CG-CG2 4.24Å; A132-T136 PolarHBondContact O-N 2.89Å; A132-T136 PolarHBondContact O-OG1 3.35Å; A133-T136 WeakPolarHBondContact CA-OG1 3.27Å; A133-T136 PolarHBondContact O-N 2.66Å; A133-T136 PolarHBondContact O-OG1 3.47Å; L134-T136 VanDerWaalsContact C-N 3.35Å; L134-T136 PolarHBondContact O-N 2.7Å; T136-V140 WeakPolarHBondContact O-CB 3.37Å; T136-V140 WeakPolarHBondContact O-CG2 3.37Å; T136-V140 PolarHBondContact O-N 2.62Å
137I85Confident76Confident27 Ų2761.7 Ų61.714%0.13832%0.317CS..Hα-helixtrans-56.9-50.7172.6-78.8177.2000111.1V62 F66 A133 L134 M141 F142V62-I137 HydrophobicContact CG1-CB 4.46Å; V62-I137 HydrophobicContact CG1-CG1 3.52Å; F66-I137 HydrophobicContact CB-CD1 3.46Å; F66-I137 VanDerWaalsContact CB-CD1 3.46Å; F66-I137 HydrophobicContact CB-CG1 4.49Å; F66-I137 HydrophobicContact CD1-CD1 3.78Å; F66-I137 HydrophobicContact CD2-CD1 3.84Å; F66-I137 HydrophobicContact CE1-CD1 4.48Å; F66-I137 HydrophobicContact CG-CD1 3.41Å; F66-I137 VanDerWaalsContact CG-CD1 3.41Å; A133-I137 PolarHBondContact O-N 3.2Å; L134-I137 PolarHBondContact O-N 2.83Å; I137-M141 WeakPolarHBondContact O-CB 3.35Å; I137-M141 PolarHBondContact O-N 3.5Å; I137-F142 HydrophobicContact CG2-CD2 4.5Å; I137-F142 HydrophobicContact CG2-CE2 4.41Å
138I84.3Confident73.8Confident74 Ų7463.9 Ų63.938%0.37933%0.325SS..Iπ-helixtrans-61.1-50.7-178.8-66.7160.2000110.9L134 L135 V140 F142 L143L134-I138 HydrophobicContact CG-CD1 4.07Å; L134-I138 WeakPolarHBondContact O-CG1 3.35Å; L134-I138 PolarHBondContact O-N 3.15Å; L135-I138 PolarHBondContact O-N 2.86Å; I138-V140 PolarHBondContact O-N 3.29Å; I138-F142 WeakPolarHBondContact O-CB 3.48Å; I138-F142 PolarHBondContact O-N 2.81Å; I138-F142 VanDerWaalsContact O-N 3.13Å; I138-L143 HydrophobicContact CG2-CD1 4.24Å
139I81.3Confident71.2Confident25 Ų2570 Ų7013%0.12835%0.352CS..Iπ-helixtrans-68.8-34.2-175.9-67.5175.9000112.6K8 V11 L135 L143K8-I139 WeakPolarHBondContact CE-O 3.39Å; K8-I139 HydrophobicContact CG-CG2 4.25Å; V11-I139 HydrophobicContact CB-CG2 4.39Å; V11-I139 HydrophobicContact CG1-CB 4.33Å; V11-I139 HydrophobicContact CG1-CD1 4.23Å; V11-I139 HydrophobicContact CG1-CG2 4.25Å; V11-I139 HydrophobicContact CG2-CD1 3.99Å; V11-I139 HydrophobicContact CG2-CG2 4.3Å; L135-I139 HydrophobicContact CD1-CD1 4.45Å; L135-I139 HydrophobicContact CD2-CD1 4.13Å; L135-I139 HydrophobicContact CG-CD1 3.88Å; L135-I139 WeakPolarHBondContact O-CB 3.36Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 2.96Å; I139-L143 HydrophobicContact CG1-CD1 4.42Å
140V76.6Confident68.6Low4 Ų477.6 Ų77.62%0.02439%0.392CS..Iπ-helixtrans-86.1-45.9-176.3178.80000111.7K8 V12 L54 T136 I138K8-V140 PolarHBondContact NZ-O 2.81Å; K8-V140 VanDerWaalsContact NZ-O 3.09Å; V12-V140 HydrophobicContact CG2-CG2 3.6Å; L54-V140 HydrophobicContact CD1-CG1 3.68Å; L54-V140 HydrophobicContact CD2-CG1 3.71Å; L54-V140 HydrophobicContact CG-CG1 4.34Å; T136-V140 WeakPolarHBondContact O-CB 3.37Å; T136-V140 WeakPolarHBondContact O-CG2 3.37Å; T136-V140 PolarHBondContact O-N 2.62Å; I138-V140 PolarHBondContact O-N 3.29Å
141M76Confident65.9Low85 Ų8582.2 Ų82.242%0.41942%0.415SS..Iπ-helixtrans-96.5-38.9-171.8-62.5-162170.800115.2I63 I137I63-M141 HydrophobicContact CD1-CE 3.9Å; I63-M141 HydrophobicContact CG1-CE 3.9Å; I137-M141 WeakPolarHBondContact O-CB 3.35Å; I137-M141 PolarHBondContact O-N 3.5Å
142F71.6Confident63.2Low164 Ų16486 Ų8672%0.71944%0.435SS*.Iπ-helixtrans-88.3-11.9-172-83.6-87.2000115.2I137 I138I137-F142 HydrophobicContact CG2-CD2 4.5Å; I137-F142 HydrophobicContact CG2-CE2 4.41Å; I138-F142 WeakPolarHBondContact O-CB 3.48Å; I138-F142 PolarHBondContact O-N 2.81Å; I138-F142 VanDerWaalsContact O-N 3.13Å
143L66.9Low60.5Low29 Ų2992.5 Ų92.515%0.15247%0.473CS..  trans-111.2111.1-170-76.3157.6000112M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.57Å; M1-L143 VanDerWaalsContact O-CD2 3.28Å; M1-L143 WeakPolarHBondContact O-CD2 3.49Å; V3-L143 HydrophobicContact CG2-CB 4.1Å; V3-L143 HydrophobicContact CG2-CD1 4.05Å; V3-L143 HydrophobicContact CG2-CD2 4.26Å; V3-L143 HydrophobicContact CG2-CG 4.36Å; K8-L143 WeakPolarHBondContact CE-O 3.17Å; K8-L143 PolarHBondContact NZ-O 3.41Å; I138-L143 HydrophobicContact CG2-CD1 4.24Å; I139-L143 HydrophobicContact CG1-CD1 4.42Å
144S56.3Low57.8Low86 Ų8695.9 Ų95.960%0.60151%0.509SS*.  trans-76.7164.7-171.3-159.50000114.7
145H54Low55Low62 Ų6299.6 Ų99.629%0.28753%0.529SS..  trans-82.1161.8168-101.2-109.4000111.4
146R44.9Very low52.1Low176 Ų176102.6 Ų102.666%0.66455%0.55SS**  trans-114.7121.7163.6171176.9176.2139.3-8.3107.2T2 E148T2-R146 HydrophobicContact CG2-CB 4.1Å; R146-E148 IonicContact CZ-OE1 2.73Å; R146-E148 IonicContact NE-OE1 2.64Å; R146-E148 PolarHBondContact NE-OE1 3.2Å; R146-E148 IonicContact NH2-OE1 2.74Å; R146-E148 PolarHBondContact NH2-OE1 3.35Å
147D37.8Very low49.8Very low137 Ų137108.7 Ų108.773%0.73359%0.587SS**  trans-87.3150.8165.2-60.9-54.3000109.2
148E39Very low47Very low146 Ų146114 Ų11468%0.68262%0.621SS**  trans-151.989.2-175.9-164.7151.1-103.300108.7R146R146-E148 IonicContact CZ-OE1 2.73Å; R146-E148 IonicContact NE-OE1 2.64Å; R146-E148 PolarHBondContact NE-OE1 3.2Å; R146-E148 IonicContact NH2-OE1 2.74Å; R146-E148 PolarHBondContact NH2-OE1 3.35Å
149Q31.8Very low44.5Very low172 Ų172116.9 Ų116.980%0.80464%0.642SS**  trans-79.5135.8169.2-66.4166.9-104.200109
150L32.3Very low41.9Very low160 Ų160127.4 Ų127.484%0.83868%0.68SS**  trans-159.588.6143.2-137.273.4000111
151D29.3Very low39.6Very low137 Ų137131.9 Ų131.973%0.73371%0.712SS**  trans52.5128.4138.2-50.7-18.4000122.4
152V30.8Very low37.4Very low145 Ų145135.5 Ų135.588%0.87973%0.728SS**  trans-121.4119.4169.5171.30000107.9
153V28.5Very low35.6Very low148 Ų148132.9 Ų132.990%0.89773%0.729SS**  trans-157.2137.6157.21770000109.9
154G29.1Very low34.1Very low72 Ų72134 Ų13474%0.74275%0.748SS**  trans101.5121.814300000118.6
155D28.9Very low33Very low164 Ų164139.2 Ų139.288%0.87775%0.754SS**  trans-89.8156.8171.4-68-76.7000113.5
156V26.1Very low32.2Very low142 Ų142142.4 Ų142.486%0.86177%0.769SS**  trans171.7145.6132.7151.70000109.7
157V36.3Very low32.1Very low128 Ų128140.5 Ų140.578%0.77677%0.768SS**  trans-87.8136.1-168.6177.70000113.6
158T26.1Very low32Very low138 Ų138143.7 Ų143.785%0.84777%0.77SS**  trans-139.1157.5152.454.50000111.5
159V32Very low32Very low135 Ų135144.9 Ų144.982%0.81877%0.768SS**  trans-107.4108.3-167178.90000112.4
160R26.6Very low32.4Very low245 Ų245142.9 Ų142.993%0.92576%0.759SS**  trans-167.2156.8157.8-125.6172.9172.186.9-2.9115.4
161S27.5Very low32.7Very low99 Ų99144.6 Ų144.669%0.69275%0.754SS**  trans72.1118164.8-158.20000118.5S163S161-S163 PolarHBondContact OG-OG 2.69Å
162E29.8Very low33Very low161 Ų161145 Ų14575%0.75275%0.749SS**  trans-94-9.5-177.4-61.7-170.594.800114.9G164 R165E162-G164 VanDerWaalsContact C-N 3.26Å; E162-G164 PolarHBondContact O-N 2.84Å; E162-G164 VanDerWaalsContact O-N 3.08Å; E162-R165 PolarHBondContact O-N 3.03Å
163S33.4Very low33.4Very low108 Ų108142.8 Ų142.876%0.75573%0.732SS**THydrogen-bonded Turntrans-65.4-18.2-164.556.40000115.8S161 R165S161-S163 PolarHBondContact OG-OG 2.69Å; S163-R165 PolarHBondContact O-N 3.08Å
164G35.5Very low34Very low53 Ų53138.7 Ų138.755%0.54671%0.714SS.*THydrogen-bonded Turntrans-79.9-5.7-177.700000116E162 E166E162-G164 VanDerWaalsContact C-N 3.26Å; E162-G164 PolarHBondContact O-N 2.84Å; E162-G164 VanDerWaalsContact O-N 3.08Å; G164-E166 PolarHBondContact O-N 3.33Å
165R33.2Very low34.7Very low195 Ų195138.3 Ų138.374%0.73670%0.704SS**Hα-helixtrans-71.6-33.6-165.9-129.9169.1-172.6158.11.7114E162 S163 R169E162-R165 PolarHBondContact O-N 3.03Å; S163-R165 PolarHBondContact O-N 3.08Å; R165-R169 WeakPolarHBondContact O-CB 3.41Å; R165-R169 PolarHBondContact O-N 3.08Å
166E38Very low35.3Very low129 Ų129135.1 Ų135.160%0.60369%0.686SS**Hα-helixtrans-73-54-171.7-14586.3-100.300113.4G164 R168 R169 Q170G164-E166 PolarHBondContact O-N 3.33Å; E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 PolarHBondContact O-N 3.16Å; E166-R169 CarbonylContact O-C 3.58Å; E166-R169 WeakPolarHBondContact O-CA 3.3Å; E166-R169 VanDerWaalsContact O-CB 3.25Å; E166-R169 WeakPolarHBondContact O-CB 3.4Å; E166-R169 PolarHBondContact O-N 3.42Å; E166-Q170 PolarHBondContact O-N 2.92Å
167Q41.3Very low36Very low137 Ų137133.9 Ų133.964%0.6467%0.672SS**Hα-helixtrans-63.4-35.3-178.8-77.6-176.2-18.200112.3R169 Q170 R171Q167-R169 VanDerWaalsContact C-N 3.31Å; Q167-Q170 PolarHBondContact O-N 3.17Å; Q167-R171 PolarHBondContact O-N 2.79Å
168R36.5Very low36.2Very low204 Ų204136.9 Ų136.977%0.7767%0.669SS**Hα-helixtrans-69.1-31.6174.9-143.1171.5-170.9177.21.8111E166 K172E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 PolarHBondContact O-N 3.16Å; R168-K172 WeakPolarHBondContact O-CB 3.45Å; R168-K172 PolarHBondContact O-N 3Å
169R38.4Very low37.3Very low171 Ų171133.2 Ų133.265%0.64565%0.65SS**Hα-helixtrans-68.3-44.2171.4-136.6175.6-170.81792.1112R165 E166 Q167 K172 L173R165-R169 WeakPolarHBondContact O-CB 3.41Å; R165-R169 PolarHBondContact O-N 3.08Å; E166-R169 CarbonylContact O-C 3.58Å; E166-R169 WeakPolarHBondContact O-CA 3.3Å; E166-R169 VanDerWaalsContact O-CB 3.25Å; E166-R169 WeakPolarHBondContact O-CB 3.4Å; E166-R169 PolarHBondContact O-N 3.42Å; Q167-R169 VanDerWaalsContact C-N 3.31Å; R169-K172 PolarHBondContact O-N 3.36Å; R169-L173 VanDerWaalsContact O-CB 3.29Å; R169-L173 WeakPolarHBondContact O-CB 3.43Å; R169-L173 WeakPolarHBondContact O-CG 3.23Å; R169-L173 PolarHBondContact O-N 3Å
170Q41Very low37.7Very low130 Ų130129.3 Ų129.361%0.60763%0.631SS**Hα-helixtrans-64.6-44.7176.7-74.8-178.2-2100112.6E166 Q167 L173 A174E166-Q170 PolarHBondContact O-N 2.92Å; Q167-Q170 PolarHBondContact O-N 3.17Å; Q170-L173 PolarHBondContact O-N 3.23Å; Q170-A174 PolarHBondContact O-N 3.43Å
171R37.8Very low38.4Very low196 Ų196121 Ų12174%0.7461%0.605SS**Hα-helixtrans-66.6-39.1176.2-69.9-176.6-177.3172.23112.4Q167 A175Q167-R171 PolarHBondContact O-N 2.79Å; R171-A175 WeakPolarHBondContact O-CB 3.28Å; R171-A175 PolarHBondContact O-N 2.81Å; R171-A175 VanDerWaalsContact O-N 3.11Å
172K37.1Very low39.2Very low145 Ų145117.6 Ų117.663%0.6359%0.585SS**Hα-helixtrans-63.8-41.6169.5-83.6-161.7171-166.40111.7R168 R169 A174 A175 I176R168-K172 WeakPolarHBondContact O-CB 3.45Å; R168-K172 PolarHBondContact O-N 3Å; R169-K172 PolarHBondContact O-N 3.36Å; K172-A174 PolarHBondContact O-N 3.02Å; K172-A175 PolarHBondContact O-N 3.19Å; K172-I176 HydrophobicContact CB-CD1 4.22Å; K172-I176 VanDerWaalsContact O-CB 3.25Å; K172-I176 WeakPolarHBondContact O-CB 3.05Å; K172-I176 WeakPolarHBondContact O-CD1 3.49Å; K172-I176 WeakPolarHBondContact O-CG1 3.36Å; K172-I176 PolarHBondContact O-N 3.11Å
173L39.5Very low40.1Very low99 Ų99113.1 Ų113.152%0.51857%0.566SS.*Hα-helixtrans-62.2-42.3177-87166.5000112.4R169 Q170 I176 M177R169-L173 VanDerWaalsContact O-CB 3.29Å; R169-L173 WeakPolarHBondContact O-CB 3.43Å; R169-L173 WeakPolarHBondContact O-CG 3.23Å; R169-L173 PolarHBondContact O-N 3Å; Q170-L173 PolarHBondContact O-N 3.23Å; L173-I176 PolarHBondContact O-N 3.35Å; L173-M177 WeakPolarHBondContact O-CB 3.49Å; L173-M177 PolarHBondContact O-N 3.28Å
174A40.8Very low40.6Very low62 Ų62110.8 Ų110.851%0.51255%0.549SS..Hα-helixtrans-63.4-43.7174.900000111.8Q170 K172 M177 W178Q170-A174 PolarHBondContact O-N 3.43Å; K172-A174 PolarHBondContact O-N 3.02Å; A174-M177 PolarHBondContact O-N 3.31Å; A174-W178 PolarHBondContact O-N 2.94Å
175A42.5Very low41.1Very low64 Ų64112.7 Ų112.753%0.52955%0.547SS..Hα-helixtrans-66.9-40.7176.900000112.9R171 K172 S179R171-A175 WeakPolarHBondContact O-CB 3.28Å; R171-A175 PolarHBondContact O-N 2.81Å; R171-A175 VanDerWaalsContact O-N 3.11Å; K172-A175 PolarHBondContact O-N 3.19Å; A175-S179 WeakPolarHBondContact O-CB 3.34Å; A175-S179 PolarHBondContact O-N 3.43Å; A175-S179 PolarHBondContact O-OG 3.4Å
176I42.6Very low42.1Very low97 Ų97109 Ų10950%0.49753%0.533SS..Hα-helixtrans-69.4-36.5175.7-69.4164.5000110.6K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.22Å; K172-I176 VanDerWaalsContact O-CB 3.25Å; K172-I176 WeakPolarHBondContact O-CB 3.05Å; K172-I176 WeakPolarHBondContact O-CD1 3.49Å; K172-I176 WeakPolarHBondContact O-CG1 3.36Å; K172-I176 PolarHBondContact O-N 3.11Å; L173-I176 PolarHBondContact O-N 3.35Å; I176-S179 PolarHBondContact O-N 3.1Å; I176-S179 PolarHBondContact O-OG 3.02Å; I176-A180 WeakPolarHBondContact O-CA 3.36Å; I176-A180 WeakPolarHBondContact O-CB 3.47Å; I176-A180 PolarHBondContact O-N 2.72Å
177M39.4Very low43Very low115 Ų115110.7 Ų110.757%0.56753%0.534SS*.Hα-helixtrans-69-42.9176.1-170.7-177.5-63.400110.7L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CB 3.49Å; L173-M177 PolarHBondContact O-N 3.28Å; A174-M177 PolarHBondContact O-N 3.31Å; M177-A180 PolarHBondContact O-N 3.23Å; M177-I181 HydrophobicContact CG-CD1 3.83Å; M177-I181 HydrophobicContact CG-CG1 4.45Å; M177-I181 VanDerWaalsContact O-CB 3.26Å; M177-I181 WeakPolarHBondContact O-CB 3.36Å; M177-I181 WeakPolarHBondContact O-CG1 3.34Å; M177-I181 PolarHBondContact O-N 3.19Å
178W42Very low43.6Very low191 Ų191108.8 Ų108.872%0.72353%0.527SS*.Hα-helixtrans-70.6-33.6175-133.3157.6000112A174 I181 G182A174-W178 PolarHBondContact O-N 2.94Å; W178-I181 HydrophobicContact CE3-CB 4.01Å; W178-I181 HydrophobicContact CE3-CG2 3.88Å; W178-I181 HydrophobicContact CZ3-CB 4.34Å; W178-I181 HydrophobicContact CZ3-CG2 3.68Å; W178-G182 PolarHBondContact O-N 3.24Å
179S47.7Very low44.9Very low62 Ų62101.1 Ų101.143%0.43450%0.503SS..Hα-helixtrans-72.7-35.817479.20000112.4A175 I176 N183A175-S179 WeakPolarHBondContact O-CB 3.34Å; A175-S179 PolarHBondContact O-N 3.43Å; A175-S179 PolarHBondContact O-OG 3.4Å; I176-S179 PolarHBondContact O-N 3.1Å; I176-S179 PolarHBondContact O-OG 3.02Å; S179-N183 VanDerWaalsContact O-CB 3.23Å; S179-N183 WeakPolarHBondContact O-CB 3.46Å; S179-N183 PolarHBondContact O-N 3Å; S179-N183 PolarHBondContact O-ND2 3.42Å
180A40.9Very low46.3Very low53 Ų5395.7 Ų95.744%0.43849%0.487SS..Hα-helixtrans-70.2-42.4173.600000111.8I176 M177 N183 S184I176-A180 WeakPolarHBondContact O-CA 3.36Å; I176-A180 WeakPolarHBondContact O-CB 3.47Å; I176-A180 PolarHBondContact O-N 2.72Å; M177-A180 PolarHBondContact O-N 3.23Å; A180-N183 PolarHBondContact O-N 3.13Å; A180-S184 VanDerWaalsContact O-CB 3.24Å; A180-S184 WeakPolarHBondContact O-CB 3.45Å; A180-S184 PolarHBondContact O-N 3.48Å; A180-S184 PolarHBondContact O-OG 3.04Å
181I41.9Very low47.6Very low71 Ų7195.2 Ų95.236%0.36448%0.483SS..Hα-helixtrans-63-47.4172.2-69.9168.4000109.3M177 W178 N183 S184 L185M177-I181 HydrophobicContact CG-CD1 3.83Å; M177-I181 HydrophobicContact CG-CG1 4.45Å; M177-I181 VanDerWaalsContact O-CB 3.26Å; M177-I181 WeakPolarHBondContact O-CB 3.36Å; M177-I181 WeakPolarHBondContact O-CG1 3.34Å; M177-I181 PolarHBondContact O-N 3.19Å; W178-I181 HydrophobicContact CE3-CB 4.01Å; W178-I181 HydrophobicContact CE3-CG2 3.88Å; W178-I181 HydrophobicContact CZ3-CB 4.34Å; W178-I181 HydrophobicContact CZ3-CG2 3.68Å; I181-N183 PolarHBondContact O-N 3.42Å; I181-S184 WeakPolarHBondContact CA-OG 3.21Å; I181-S184 PolarHBondContact O-N 3.04Å; I181-S184 VanDerWaalsContact O-N 3.14Å; I181-S184 PolarHBondContact O-OG 3.39Å; I181-L185 HydrophobicContact CG2-CD1 3.6Å; I181-L185 VanDerWaalsContact O-CD1 3.29Å; I181-L185 WeakPolarHBondContact O-CD1 3.34Å; I181-L185 PolarHBondContact O-N 3.1Å
182G45.1Very low49.2Very low26 Ų2688.6 Ų88.627%0.26846%0.464SS..Hα-helixtrans-59.9-40.217600000113.8W178 R186W178-G182 PolarHBondContact O-N 3.24Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 3.45Å
183N47Very low51Low68 Ų6882.2 Ų82.236%0.36444%0.437SS..Hα-helixtrans-75.1-29.4174.7-77.1-29.5000112.8S179 A180 I181 R186 R187S179-N183 VanDerWaalsContact O-CB 3.23Å; S179-N183 WeakPolarHBondContact O-CB 3.46Å; S179-N183 PolarHBondContact O-N 3Å; S179-N183 PolarHBondContact O-ND2 3.42Å; A180-N183 PolarHBondContact O-N 3.13Å; I181-N183 PolarHBondContact O-N 3.42Å; N183-R186 PolarHBondContact O-N 3.03Å; N183-R186 PolarHBondContact OD1-NH1 3.2Å; N183-R187 PolarHBondContact O-N 3.46Å; N183-R187 VanDerWaalsContact O-N 3.08Å
184S43.8Very low52.9Low58 Ų5879.4 Ų79.441%0.40642%0.421SS..Hα-helixtrans-68-45.3171.180.30000110.6A180 I181 R186 R187 L188A180-S184 VanDerWaalsContact O-CB 3.24Å; A180-S184 WeakPolarHBondContact O-CB 3.45Å; A180-S184 PolarHBondContact O-N 3.48Å; A180-S184 PolarHBondContact O-OG 3.04Å; I181-S184 WeakPolarHBondContact CA-OG 3.21Å; I181-S184 PolarHBondContact O-N 3.04Å; I181-S184 VanDerWaalsContact O-N 3.14Å; I181-S184 PolarHBondContact O-OG 3.39Å; S184-R186 VanDerWaalsContact C-N 3.33Å; S184-R186 PolarHBondContact O-N 3.3Å; S184-R187 PolarHBondContact O-N 3.44Å; S184-R187 VanDerWaalsContact O-N 3.08Å; S184-L188 WeakPolarHBondContact O-CB 3.34Å; S184-L188 PolarHBondContact O-N 3.04Å
185L48Very low54.7Low93 Ų9380.2 Ų80.249%0.48742%0.416SS..Hα-helixtrans-60-40.3170.5-91.798.5000111.2I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.6Å; I181-L185 VanDerWaalsContact O-CD1 3.29Å; I181-L185 WeakPolarHBondContact O-CD1 3.34Å; I181-L185 PolarHBondContact O-N 3.1Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 2.72Å; L185-L188 PolarHBondContact O-N 3.3Å; L185-T189 VanDerWaalsContact O-CB 3.24Å; L185-T189 WeakPolarHBondContact O-CB 3.47Å; L185-T189 WeakPolarHBondContact O-CG2 3.24Å; L185-T189 PolarHBondContact O-N 3.39Å; L185-T189 PolarHBondContact O-OG1 3.29Å
186R53.8Low56.7Low119 Ų11979.4 Ų79.445%0.44940%0.401SS..Hα-helixtrans-61.2-30.4173.7-81.1172.3161.3-174.9-6.3113.9G182 N183 S184 T189 N190G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 3.45Å; N183-R186 PolarHBondContact O-N 3.03Å; N183-R186 PolarHBondContact OD1-NH1 3.2Å; S184-R186 VanDerWaalsContact C-N 3.33Å; S184-R186 PolarHBondContact O-N 3.3Å; R186-T189 PolarHBondContact O-OG1 3.14Å; R186-N190 PolarHBondContact O-ND2 3.02Å
187R55.3Low58.8Low163 Ų16375 Ų7562%0.61538%0.379SS*.Hα-helixtrans-81.3-48.9173.9-70.4-179.3179.4-177.21.1111.1N183 S184 L185 T189 N190N183-R187 PolarHBondContact O-N 3.46Å; N183-R187 VanDerWaalsContact O-N 3.08Å; S184-R187 PolarHBondContact O-N 3.44Å; S184-R187 VanDerWaalsContact O-N 3.08Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 2.72Å; R187-T189 PolarHBondContact O-N 3.29Å; R187-N190 PolarHBondContact O-N 3.25Å; R187-N190 PolarHBondContact O-ND2 2.65Å
188L55.2Low61Low98 Ų9870.1 Ų70.151%0.51336%0.356SS..Hα-helixtrans-68.5-28.5-176.2-169144.8000113S184 L185 N190 F191 V192S184-L188 WeakPolarHBondContact O-CB 3.34Å; S184-L188 PolarHBondContact O-N 3.04Å; L185-L188 PolarHBondContact O-N 3.3Å; L188-N190 PolarHBondContact O-N 2.94Å; L188-F191 WeakPolarHBondContact O-CA 3.38Å; L188-F191 WeakPolarHBondContact O-CB 3.19Å; L188-F191 PolarHBondContact O-N 3.29Å; L188-V192 HydrophobicContact CD2-CG2 3.56Å; L188-V192 PolarHBondContact O-N 3.27Å
189T63.6Low63.1Low43 Ų4365.4 Ų65.426%0.26434%0.339SS..Hα-helixtrans-61.8-24.2172.842.50000113.7L185 R186 R187 L193L185-T189 VanDerWaalsContact O-CB 3.24Å; L185-T189 WeakPolarHBondContact O-CB 3.47Å; L185-T189 WeakPolarHBondContact O-CG2 3.24Å; L185-T189 PolarHBondContact O-N 3.39Å; L185-T189 PolarHBondContact O-OG1 3.29Å; R186-T189 PolarHBondContact O-OG1 3.14Å; R187-T189 PolarHBondContact O-N 3.29Å; T189-L193 VanDerWaalsContact O-CB 3.3Å; T189-L193 WeakPolarHBondContact O-CB 3.37Å; T189-L193 PolarHBondContact O-N 3.39Å
190N67.1Low65Low56 Ų5662.5 Ų62.530%0.29932%0.318SS..Hα-helixtrans-68.2-38.5170.7-66-72.5000111.7R186 R187 L188 F194 Q326R186-N190 PolarHBondContact O-ND2 3.02Å; R187-N190 PolarHBondContact O-N 3.25Å; R187-N190 PolarHBondContact O-ND2 2.65Å; L188-N190 PolarHBondContact O-N 2.94Å; N190-F194 PolarHBondContact O-N 3.03Å; N190-Q326 PolarHBondContact OD1-NE2 3.28Å
191F69.9Low67.1Low121 Ų12160 Ų6053%0.53130%0.297SS..Hα-helixtrans-73.8-40.2178.5177-106.1000111.6L188 F194 L195L188-F191 WeakPolarHBondContact O-CA 3.38Å; L188-F191 WeakPolarHBondContact O-CB 3.19Å; L188-F191 PolarHBondContact O-N 3.29Å; F191-F194 WeakPolarHBondContact O-CB 3.43Å; F191-F194 PolarHBondContact O-N 3.46Å; F191-L195 HydrophobicContact CD1-CD1 4.13Å; F191-L195 HydrophobicContact CE1-CD1 3.54Å; F191-L195 HydrophobicContact CE1-CG 4.33Å; F191-L195 HydrophobicContact CE2-CD1 4.44Å; F191-L195 HydrophobicContact CE2-CG 4.47Å; F191-L195 HydrophobicContact CZ-CD1 3.72Å; F191-L195 HydrophobicContact CZ-CG 4.22Å; F191-L195 PolarHBondContact O-N 3Å
192V69.9Low69.4Low57 Ų5757.1 Ų57.135%0.34528%0.283SS..Hα-helixtrans-61-44.2171171.50000110.9L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 3.56Å; L188-V192 PolarHBondContact O-N 3.27Å; V192-F194 VanDerWaalsContact C-N 3.3Å; V192-F194 PolarHBondContact O-N 3.3Å; V192-L195 PolarHBondContact O-N 3.23Å; V192-F196 WeakPolarHBondContact O-CB 3.46Å; V192-F196 PolarHBondContact O-N 3.11Å
193L76.3Confident71.3Confident10 Ų1055.9 Ų55.95%0.05227%0.27CS..Hα-helixtrans-59.6-42.5177.5-154.179.9000111.6T189 F196 T197 L322 T323T189-L193 VanDerWaalsContact O-CB 3.3Å; T189-L193 WeakPolarHBondContact O-CB 3.37Å; T189-L193 PolarHBondContact O-N 3.39Å; L193-F196 PolarHBondContact O-N 3.25Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 3.21Å; L193-L322 HydrophobicContact CD1-CB 4.2Å; L193-T323 HydrophobicContact CD1-CG2 3.83Å; L193-T323 HydrophobicContact CD2-CG2 4.29Å; L193-T323 HydrophobicContact CG-CG2 4.33Å
194F79.4Confident73Confident41 Ų4153.9 Ų53.918%0.1826%0.258CS..Hα-helixtrans-60.2-51.1176166.8-102.6000112.3N190 F191 V192 F196 T197 A198 F216 I219 S220N190-F194 PolarHBondContact O-N 3.03Å; F191-F194 WeakPolarHBondContact O-CB 3.43Å; F191-F194 PolarHBondContact O-N 3.46Å; V192-F194 VanDerWaalsContact C-N 3.3Å; V192-F194 PolarHBondContact O-N 3.3Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 2.9Å; F194-T197 WeakPolarHBondContact O-CB 3.22Å; F194-T197 PolarHBondContact O-N 3.12Å; F194-T197 VanDerWaalsContact O-N 3.12Å; F194-A198 PolarHBondContact O-N 2.95Å; F194-F216 HydrophobicContact CD2-CD2 4.32Å; F194-F216 HydrophobicContact CE1-CE2 4.13Å; F194-F216 AromaticContact CE2-CD2 3.73Å; F194-F216 HydrophobicContact CE2-CD2 3.73Å; F194-F216 AromaticContact CE2-CE2 3.85Å; F194-F216 HydrophobicContact CE2-CE2 3.85Å; F194-F216 AromaticContact CZ-CD2 3.91Å; F194-F216 HydrophobicContact CZ-CD2 3.91Å; F194-F216 AromaticContact CZ-CE2 3.53Å; F194-F216 HydrophobicContact CZ-CE2 3.53Å; F194-I219 HydrophobicContact CD2-CB 4.46Å; F194-I219 HydrophobicContact CD2-CG2 3.73Å; F194-I219 HydrophobicContact CE2-CB 4.4Å; F194-I219 HydrophobicContact CE2-CG2 3.88Å; F194-S220 WeakPolarHBondContact CE2-OG 3.38Å; F194-S220 VanDerWaalsContact CZ-OG 3.31Å; F194-S220 WeakPolarHBondContact CZ-OG 3.45Å
195L77.1Confident74.9Confident79 Ų7951.9 Ų51.941%0.41424%0.244SC..Hα-helixtrans-62.8-38.4176.1-68.4179.6000112.3F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 4.13Å; F191-L195 HydrophobicContact CE1-CD1 3.54Å; F191-L195 HydrophobicContact CE1-CG 4.33Å; F191-L195 HydrophobicContact CE2-CD1 4.44Å; F191-L195 HydrophobicContact CE2-CG 4.47Å; F191-L195 HydrophobicContact CZ-CD1 3.72Å; F191-L195 HydrophobicContact CZ-CG 4.22Å; F191-L195 PolarHBondContact O-N 3Å; V192-L195 PolarHBondContact O-N 3.23Å; L195-T197 VanDerWaalsContact C-N 3.25Å; L195-T197 PolarHBondContact O-N 2.91Å; L195-A198 WeakPolarHBondContact O-CB 3.32Å; L195-A198 PolarHBondContact O-N 3.48Å; L195-Y199 PolarHBondContact O-N 2.95Å
196F84.5Confident76.6Confident46 Ų4647.5 Ų47.520%0.20222%0.221CC..Hα-helixtrans-67-27.9176.4-141.9-92.7000111.9V192 L193 F194 Y199 V200 V315 V318 F319 L322V192-F196 WeakPolarHBondContact O-CB 3.46Å; V192-F196 PolarHBondContact O-N 3.11Å; L193-F196 PolarHBondContact O-N 3.25Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 2.9Å; F196-Y199 HydrophobicContact CE2-CD1 4.49Å; F196-Y199 HydrophobicContact CZ-CD1 4.48Å; F196-Y199 PolarHBondContact O-N 2.95Å; F196-V200 HydrophobicContact CD1-CG2 3.76Å; F196-V200 HydrophobicContact CE1-CG2 4.1Å; F196-V200 WeakPolarHBondContact O-CG2 2.8Å; F196-V200 PolarHBondContact O-N 3.38Å; F196-V315 HydrophobicContact CE1-CG1 4.01Å; F196-V315 HydrophobicContact CZ-CG1 4.47Å; F196-V318 HydrophobicContact CE1-CB 4.38Å; F196-V318 HydrophobicContact CE1-CG1 4.05Å; F196-V318 HydrophobicContact CE2-CG1 4.46Å; F196-V318 HydrophobicContact CZ-CB 4.24Å; F196-V318 HydrophobicContact CZ-CG1 3.66Å; F196-F319 HydrophobicContact CD1-CB 4.06Å; F196-F319 HydrophobicContact CD1-CD2 4.02Å; F196-F319 HydrophobicContact CE1-CB 4.09Å; F196-L322 HydrophobicContact CD1-CD1 4.48Å; F196-L322 HydrophobicContact CD2-CD1 4.45Å; F196-L322 HydrophobicContact CE2-CD1 4.49Å; F196-L322 HydrophobicContact CG-CD1 4.43Å
197T87.6Confident78.2Confident6 Ų645.1 Ų45.14%0.03722%0.217CC..Hα-helixtrans-68.4-38.9175-40.70000110.8L193 F194 L195 G201 A215 F319L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 3.21Å; F194-T197 WeakPolarHBondContact O-CB 3.22Å; F194-T197 PolarHBondContact O-N 3.12Å; F194-T197 VanDerWaalsContact O-N 3.12Å; L195-T197 VanDerWaalsContact C-N 3.25Å; L195-T197 PolarHBondContact O-N 2.91Å; T197-G201 PolarHBondContact O-N 3.12Å; T197-A215 HydrophobicContact CG2-CB 4.46Å; T197-F319 HydrophobicContact CG2-CE2 4.47Å; T197-F319 HydrophobicContact CG2-CZ 4.41Å
198A84.3Confident79.7Confident11 Ų1137.6 Ų37.69%0.09119%0.189CC..Hα-helixtrans-62.5-46.8171.600000111.4F194 L195 G201 I202 F216F194-A198 PolarHBondContact O-N 2.95Å; L195-A198 WeakPolarHBondContact O-CB 3.32Å; L195-A198 PolarHBondContact O-N 3.48Å; A198-G201 PolarHBondContact O-N 2.69Å; A198-G201 VanDerWaalsContact O-N 3.15Å; A198-I202 WeakPolarHBondContact O-CG1 3.49Å; A198-I202 PolarHBondContact O-N 3.24Å; A198-F216 HydrophobicContact CB-CB 4.34Å; A198-F216 HydrophobicContact CB-CD1 4.04Å; A198-F216 HydrophobicContact CB-CD2 3.55Å; A198-F216 HydrophobicContact CB-CE1 4.24Å; A198-F216 HydrophobicContact CB-CE2 3.76Å; A198-F216 HydrophobicContact CB-CG 3.69Å; A198-F216 HydrophobicContact CB-CZ 4.1Å
199Y87Confident81.2Confident93 Ų9333 Ų3337%0.36517%0.165SC..Hα-helixtrans-60.2-47.8-179.9-174.1-117000112.5L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 2.95Å; F196-Y199 HydrophobicContact CE2-CD1 4.49Å; F196-Y199 HydrophobicContact CZ-CD1 4.48Å; F196-Y199 PolarHBondContact O-N 2.95Å; Y199-G201 PolarHBondContact O-N 3.45Å; Y199-I202 PolarHBondContact O-N 2.96Å; Y199-I202 VanDerWaalsContact O-N 3.1Å; Y199-V203 HydrophobicContact CD1-CG2 4.06Å; Y199-V203 HydrophobicContact CD2-CG2 3.9Å; Y199-V203 HydrophobicContact CE1-CG2 3.73Å; Y199-V203 HydrophobicContact CE2-CG2 3.54Å; Y199-V203 HydrophobicContact CG-CG2 4.14Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.44Å; Y199-V203 VanDerWaalsContact O-CG2 3.29Å; Y199-V203 WeakPolarHBondContact O-CG2 3.4Å; Y199-V203 PolarHBondContact O-N 2.9Å; Y199-V315 HydrophobicContact CD1-CG1 3.87Å; Y199-V315 HydrophobicContact CD1-CG2 4.37Å; Y199-V315 HydrophobicContact CE1-CG1 4.02Å; Y199-V315 HydrophobicContact CE1-CG2 3.67Å
200V87.8Confident82.3Confident0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-60.2-34.9176.7-172.60000111.1F196 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 3.76Å; F196-V200 HydrophobicContact CE1-CG2 4.1Å; F196-V200 WeakPolarHBondContact O-CG2 2.8Å; F196-V200 PolarHBondContact O-N 3.38Å; V200-Y212 HydrophobicContact CB-CD2 4.17Å; V200-Y212 HydrophobicContact CB-CG 4.26Å; V200-Y212 HydrophobicContact CG1-CD1 4.42Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE2 3.54Å; V200-Y212 HydrophobicContact CG1-CG 3.88Å; V200-V315 HydrophobicContact CB-CG1 4.13Å; V200-V315 HydrophobicContact CG1-CG1 4.32Å; V200-V315 HydrophobicContact CG2-CG1 3.55Å; V200-V316 HydrophobicContact CG1-CG2 4.07Å; V200-F319 HydrophobicContact CG2-CB 3.92Å; V200-F319 HydrophobicContact CG2-CD2 4.05Å; V200-F319 HydrophobicContact CG2-CG 3.99Å
201G85.7Confident83.4Confident0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-69.4-31.2175.500000114.7T197 A198 Y199T197-G201 PolarHBondContact O-N 3.12Å; A198-G201 PolarHBondContact O-N 2.69Å; A198-G201 VanDerWaalsContact O-N 3.15Å; Y199-G201 PolarHBondContact O-N 3.45Å
202I88.3Confident84.4Confident11 Ų1126 Ų266%0.05613%0.133CC..Hα-helixtrans-92.2-32.9-174-65.8166.1000112.7A198 Y199 K204 F213 V556 L559 T563A198-I202 WeakPolarHBondContact O-CG1 3.49Å; A198-I202 PolarHBondContact O-N 3.24Å; Y199-I202 PolarHBondContact O-N 2.96Å; Y199-I202 VanDerWaalsContact O-N 3.1Å; I202-K204 PolarHBondContact O-N 3.47Å; I202-K204 VanDerWaalsContact O-N 3.07Å; I202-F213 HydrophobicContact CG1-CD2 4.28Å; I202-F213 HydrophobicContact CG1-CE2 4.36Å; I202-V556 HydrophobicContact CG2-CG1 4.35Å; I202-L559 HydrophobicContact CG1-CB 4.34Å; I202-L559 HydrophobicContact CG2-CB 3.85Å; I202-L559 HydrophobicContact CG2-CD1 4.46Å; I202-T563 HydrophobicContact CD1-CG2 4.24Å
203V85Confident85.3Confident1 Ų123.6 Ų23.61%0.00612%0.117CC..SBendtrans-53-34.3-172.2159.50000114.4Y199 P308 A311 N312Y199-V203 HydrophobicContact CD1-CG2 4.06Å; Y199-V203 HydrophobicContact CD2-CG2 3.9Å; Y199-V203 HydrophobicContact CE1-CG2 3.73Å; Y199-V203 HydrophobicContact CE2-CG2 3.54Å; Y199-V203 HydrophobicContact CG-CG2 4.14Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.44Å; Y199-V203 VanDerWaalsContact O-CG2 3.29Å; Y199-V203 WeakPolarHBondContact O-CG2 3.4Å; Y199-V203 PolarHBondContact O-N 2.9Å; V203-P308 WeakPolarHBondContact O-CB 3.5Å; V203-A311 HydrophobicContact CG1-CB 4.22Å; V203-N312 HydrophobicContact CG1-CB 4.13Å
204K84.1Confident85.8Confident25 Ų2527.7 Ų27.711%0.10914%0.139CC..SBendtrans-146.1107.3168.1-173.9177.6-175.3-175.90108.9I202 S206 N209 G276 T278 L309 N312I202-K204 PolarHBondContact O-N 3.47Å; I202-K204 VanDerWaalsContact O-N 3.07Å; K204-S206 PolarHBondContact O-N 2.88Å; K204-S206 VanDerWaalsContact O-N 3.08Å; K204-N209 VanDerWaalsContact O-CB 3.3Å; K204-N209 WeakPolarHBondContact O-CB 3.48Å; K204-N209 PolarHBondContact O-ND2 3.41Å; K204-G276 PolarHBondContact NZ-O 3.31Å; K204-T278 PolarHBondContact NZ-OG1 3.48Å; K204-L309 HydrophobicContact CD-CD2 4.34Å; K204-N312 HydrophobicContact CB-CB 4.39Å
205P83.7Confident86.2Confident16 Ų1626.7 Ų26.710%0.10414%0.139CC..  trans-63.4111.4176.825.3-33.9000110.1Y525 S528 M529 A555P205-Y525 HydrophobicContact CB-CE2 4.12Å; P205-S528 WeakPolarHBondContact CG-O 3.47Å; P205-M529 HydrophobicContact CB-CG 4.43Å; P205-A555 HydrophobicContact CG-CB 4.24Å
206S84.4Confident86.7Confident1 Ų123.2 Ų23.21%0.00712%0.12CC..SBendtrans-148.1169.8179.175.40000110.6K204 S208 N209 S210 Y525K204-S206 PolarHBondContact O-N 2.88Å; K204-S206 VanDerWaalsContact O-N 3.08Å; S206-S208 VanDerWaalsContact C-N 3.29Å; S206-S208 PolarHBondContact O-N 3.1Å; S206-S208 PolarHBondContact OG-N 2.67Å; S206-S208 PolarHBondContact OG-OG 3.1Å; S206-N209 PolarHBondContact O-N 3.18Å; S206-N209 PolarHBondContact OG-N 3.3Å; S206-S210 WeakPolarHBondContact O-CB 3.2Å; S206-S210 PolarHBondContact O-N 3.39Å; S206-Y525 PolarHBondContact N-OH 2.82Å; S206-Y525 VanDerWaalsContact N-OH 3.13Å; S206-Y525 PolarHBondContact O-OH 3.41Å
207L86.2Confident86.8Confident69 Ų6921.6 Ų21.636%0.36111%0.113SC..Hα-helixtrans-63.3-34.8172-17460.2000112.1S210 L274 F275L207-S210 PolarHBondContact O-OG 3.4Å; L207-L274 HydrophobicContact CB-CD1 4.29Å; L207-L274 HydrophobicContact CB-CG 4.15Å; L207-L274 WeakPolarHBondContact CB-O 3.38Å; L207-L274 HydrophobicContact CD2-CD1 4.28Å; L207-L274 HydrophobicContact CD2-CD2 3.86Å; L207-L274 HydrophobicContact CD2-CG 3.86Å; L207-L274 PolarHBondContact N-O 2.93Å; L207-F275 HydrophobicContact CB-CD1 4.45Å; L207-F275 HydrophobicContact CD2-CD1 4.35Å; L207-F275 HydrophobicContact CD2-CE1 3.89Å; L207-F275 HydrophobicContact CD2-CZ 4.17Å; L207-F275 HydrophobicContact CG-CE1 4.4Å
208S85.9Confident86.7Confident6 Ų626.6 Ų26.64%0.04214%0.135CC..Hα-helixtrans-68.7-45.7175.862.70000112.6S206 S210 I211 Y244 H248 F275S206-S208 VanDerWaalsContact C-N 3.29Å; S206-S208 PolarHBondContact O-N 3.1Å; S206-S208 PolarHBondContact OG-N 2.67Å; S206-S208 PolarHBondContact OG-OG 3.1Å; S208-S210 VanDerWaalsContact C-N 3.29Å; S208-S210 PolarHBondContact O-N 3.18Å; S208-I211 PolarHBondContact O-N 3.24Å; S208-Y244 VanDerWaalsContact CA-OH 3.29Å; S208-Y244 WeakPolarHBondContact CA-OH 3.38Å; S208-Y244 WeakPolarHBondContact CB-OH 3.38Å; S208-Y244 PolarHBondContact O-OH 2.74Å; S208-H248 WeakPolarHBondContact CB-NE2 3.34Å; S208-H248 PolarHBondContact OG-CE1 2.95Å; S208-H248 PolarHBondContact OG-NE2 3.38Å; S208-F275 PolarHBondContact OG-O 2.93Å; S208-F275 VanDerWaalsContact OG-O 3.14Å
209N88.3Confident86.6Confident0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-73.9-20.2-179.6-79.1-19.6000113.4K204 S206 I211 Y212 F213 H248 N312K204-N209 VanDerWaalsContact O-CB 3.3Å; K204-N209 WeakPolarHBondContact O-CB 3.48Å; K204-N209 PolarHBondContact O-ND2 3.41Å; S206-N209 PolarHBondContact O-N 3.18Å; S206-N209 PolarHBondContact OG-N 3.3Å; N209-I211 PolarHBondContact O-N 2.97Å; N209-I211 VanDerWaalsContact O-N 3.12Å; N209-Y212 HydrophobicContact CB-CD2 4.37Å; N209-Y212 PolarHBondContact O-N 2.8Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.36Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.45Å; N209-F213 PolarHBondContact O-N 3.37Å; N209-F213 VanDerWaalsContact O-N 3.16Å; N209-H248 PolarHBondContact OD1-CE1 3.27Å; N209-N312 PolarHBondContact ND2-OD1 2.94Å
210S86.8Confident86.4Confident18 Ų1823 Ų2313%0.12612%0.12CC..Hα-helixtrans-55.1-31.3173.978.40000112.5S206 L207 S208 Y212 F213 L214 Y525S206-S210 WeakPolarHBondContact O-CB 3.2Å; S206-S210 PolarHBondContact O-N 3.39Å; L207-S210 PolarHBondContact O-OG 3.4Å; S208-S210 VanDerWaalsContact C-N 3.29Å; S208-S210 PolarHBondContact O-N 3.18Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.5Å; S210-F213 PolarHBondContact O-N 3.2Å; S210-L214 VanDerWaalsContact O-CB 3.31Å; S210-L214 WeakPolarHBondContact O-CB 3.39Å; S210-L214 VanDerWaalsContact O-CG 3.27Å; S210-L214 WeakPolarHBondContact O-CG 3.47Å; S210-L214 PolarHBondContact O-N 3.42Å; S210-Y525 WeakPolarHBondContact CA-OH 3.46Å; S210-Y525 PolarHBondContact N-OH 2.78Å
211I89.5Confident86.3Confident57 Ų5724.9 Ų24.929%0.29213%0.132SC..Hα-helixtrans-66.6-33.5178.8-69.9170.5000111.3S208 N209 A215 F240 Y244S208-I211 PolarHBondContact O-N 3.24Å; N209-I211 PolarHBondContact O-N 2.97Å; N209-I211 VanDerWaalsContact O-N 3.12Å; I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.49Å; I211-A215 PolarHBondContact O-N 3.43Å; I211-A215 VanDerWaalsContact O-N 3.16Å; I211-F240 HydrophobicContact CG2-CE1 4.01Å; I211-F240 HydrophobicContact CG2-CZ 4.44Å; I211-Y244 HydrophobicContact CB-CE1 4.09Å; I211-Y244 HydrophobicContact CD1-CE1 4.19Å; I211-Y244 HydrophobicContact CD1-CE2 3.85Å; I211-Y244 HydrophobicContact CG2-CD1 4.07Å; I211-Y244 HydrophobicContact CG2-CE1 4.06Å
212Y90.2Very high86.3Confident0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-75.9-39.7173.3-50.8-63.5000111.6V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.17Å; V200-Y212 HydrophobicContact CB-CG 4.26Å; V200-Y212 HydrophobicContact CG1-CD1 4.42Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE2 3.54Å; V200-Y212 HydrophobicContact CG1-CG 3.88Å; N209-Y212 HydrophobicContact CB-CD2 4.37Å; N209-Y212 PolarHBondContact O-N 2.8Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.36Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.45Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.5Å; Y212-A215 PolarHBondContact O-N 3.2Å; Y212-F216 PolarHBondContact O-N 3.5Å; Y212-L241 HydrophobicContact CD1-CD2 3.89Å; Y212-L241 HydrophobicContact CE1-CD2 4.18Å; Y212-Y244 AromaticContact CE1-CD1 3.72Å; Y212-Y244 HydrophobicContact CE1-CD1 3.72Å; Y212-Y244 HydrophobicContact CE1-CE1 4.12Å; Y212-Y244 HydrophobicContact CE2-CE1 4.1Å; Y212-Y244 AromaticContact CZ-CD1 3.66Å; Y212-Y244 AromaticContact CZ-CE1 3.67Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.38Å; Y212-H248 AromaticContact CE2-ND1 3.72Å; Y212-H248 AromaticContact CZ-ND1 3.94Å; Y212-H248 PolarHBondContact OH-ND1 3.17Å; Y212-F319 HydrophobicContact CD1-CE1 4.14Å; Y212-F319 HydrophobicContact CD1-CZ 4.47Å; Y212-F319 HydrophobicContact CE1-CD1 4.33Å; Y212-F319 AromaticContact CE1-CE1 3.84Å; Y212-F319 HydrophobicContact CE1-CE1 3.84Å
213F88.5Confident86Confident5 Ų534.9 Ų34.92%0.02217%0.169CC..Hα-helixtrans-65.2-45.8177.7-172.9-113.8000112.3I202 N209 S210 A215 F216 L217 Y525 T563I202-F213 HydrophobicContact CG1-CD2 4.28Å; I202-F213 HydrophobicContact CG1-CE2 4.36Å; N209-F213 PolarHBondContact O-N 3.37Å; N209-F213 VanDerWaalsContact O-N 3.16Å; S210-F213 PolarHBondContact O-N 3.2Å; F213-A215 VanDerWaalsContact C-N 3.34Å; F213-A215 PolarHBondContact O-N 2.7Å; F213-F216 HydrophobicContact CD2-CD1 4.37Å; F213-F216 HydrophobicContact CE2-CD1 4.44Å; F213-F216 WeakPolarHBondContact O-CB 3.39Å; F213-F216 PolarHBondContact O-N 2.9Å; F213-L217 HydrophobicContact CD1-CD1 4.08Å; F213-L217 HydrophobicContact CE1-CD1 3.71Å; F213-L217 HydrophobicContact CE1-CG 4.35Å; F213-L217 HydrophobicContact CZ-CD1 4.17Å; F213-L217 HydrophobicContact CZ-CG 4.44Å; F213-L217 PolarHBondContact O-N 2.8Å; F213-Y525 HydrophobicContact CB-CE2 4.09Å; F213-Y525 AromaticContact CD1-CD2 3.62Å; F213-Y525 HydrophobicContact CD1-CD2 3.62Å; F213-Y525 HydrophobicContact CD1-CE2 4.05Å; F213-Y525 HydrophobicContact CD1-CG 4.03Å; F213-Y525 HydrophobicContact CD2-CD2 4.44Å; F213-Y525 AromaticContact CE1-CD2 3.83Å; F213-Y525 HydrophobicContact CE1-CD2 3.83Å; F213-Y525 HydrophobicContact CE1-CG 4.07Å; F213-Y525 AromaticContact CG-CD2 3.96Å; F213-Y525 HydrophobicContact CG-CD2 3.96Å; F213-Y525 HydrophobicContact CG-CE2 4.02Å; F213-Y525 HydrophobicContact CZ-CD2 4.33Å; F213-T563 HydrophobicContact CE2-CG2 4.12Å
214L88.1Confident85.9Confident96 Ų9634.8 Ų34.850%0.50317%0.169SC..Hα-helixtrans-63.8-36.8173.8-70.3170.3000112S210 F218S210-L214 VanDerWaalsContact O-CB 3.31Å; S210-L214 WeakPolarHBondContact O-CB 3.39Å; S210-L214 VanDerWaalsContact O-CG 3.27Å; S210-L214 WeakPolarHBondContact O-CG 3.47Å; S210-L214 PolarHBondContact O-N 3.42Å; L214-F218 VanDerWaalsContact O-CB 3.23Å; L214-F218 WeakPolarHBondContact O-CB 3.3Å; L214-F218 PolarHBondContact O-N 3.2Å
215A86.6Confident85.8Confident21 Ų2136.2 Ų36.217%0.17418%0.18CC..Hα-helixtrans-65.4-39.4172.400000112.2T197 I211 Y212 F213 I219T197-A215 HydrophobicContact CG2-CB 4.46Å; I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.49Å; I211-A215 PolarHBondContact O-N 3.43Å; I211-A215 VanDerWaalsContact O-N 3.16Å; Y212-A215 PolarHBondContact O-N 3.2Å; F213-A215 VanDerWaalsContact C-N 3.34Å; F213-A215 PolarHBondContact O-N 2.7Å; A215-I219 WeakPolarHBondContact O-CB 3.35Å; A215-I219 WeakPolarHBondContact O-CD1 3.49Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 3.06Å
216F88.4Confident85.5Confident5 Ų538.5 Ų38.52%0.02219%0.187CC..Hα-helixtrans-63.4-48173.6160.3-105000112.1F194 A198 Y212 F213 I219 S220 T563F194-F216 HydrophobicContact CD2-CD2 4.32Å; F194-F216 HydrophobicContact CE1-CE2 4.13Å; F194-F216 AromaticContact CE2-CD2 3.73Å; F194-F216 HydrophobicContact CE2-CD2 3.73Å; F194-F216 AromaticContact CE2-CE2 3.85Å; F194-F216 HydrophobicContact CE2-CE2 3.85Å; F194-F216 AromaticContact CZ-CD2 3.91Å; F194-F216 HydrophobicContact CZ-CD2 3.91Å; F194-F216 AromaticContact CZ-CE2 3.53Å; F194-F216 HydrophobicContact CZ-CE2 3.53Å; A198-F216 HydrophobicContact CB-CB 4.34Å; A198-F216 HydrophobicContact CB-CD1 4.04Å; A198-F216 HydrophobicContact CB-CD2 3.55Å; A198-F216 HydrophobicContact CB-CE1 4.24Å; A198-F216 HydrophobicContact CB-CE2 3.76Å; A198-F216 HydrophobicContact CB-CG 3.69Å; A198-F216 HydrophobicContact CB-CZ 4.1Å; Y212-F216 PolarHBondContact O-N 3.5Å; F213-F216 HydrophobicContact CD2-CD1 4.37Å; F213-F216 HydrophobicContact CE2-CD1 4.44Å; F213-F216 WeakPolarHBondContact O-CB 3.39Å; F213-F216 PolarHBondContact O-N 2.9Å; F216-I219 PolarHBondContact O-N 3.27Å; F216-S220 WeakPolarHBondContact CE2-OG 3.45Å; F216-S220 WeakPolarHBondContact O-CB 3.13Å; F216-S220 PolarHBondContact O-N 2.66Å; F216-S220 PolarHBondContact O-OG 3.29Å; F216-T563 HydrophobicContact CE1-CG2 4.27Å
217L85.9Confident84.9Confident12 Ų1241.6 Ų41.66%0.06321%0.205CC..Hα-helixtrans-59.4-53.5175.7-70.6178.7000110.3F213 I219 S220 T221 L521 I522F213-L217 HydrophobicContact CD1-CD1 4.08Å; F213-L217 HydrophobicContact CE1-CD1 3.71Å; F213-L217 HydrophobicContact CE1-CG 4.35Å; F213-L217 HydrophobicContact CZ-CD1 4.17Å; F213-L217 HydrophobicContact CZ-CG 4.44Å; F213-L217 PolarHBondContact O-N 2.8Å; L217-I219 VanDerWaalsContact C-N 3.31Å; L217-I219 PolarHBondContact O-N 3.49Å; L217-S220 CarbonylContact O-C 3.56Å; L217-S220 WeakPolarHBondContact O-CA 3.38Å; L217-S220 WeakPolarHBondContact O-CB 3.49Å; L217-S220 PolarHBondContact O-N 3.42Å; L217-T221 PolarHBondContact O-N 3.3Å; L217-T221 PolarHBondContact O-OG1 3.4Å; L217-L521 HydrophobicContact CD2-CD1 4.13Å; L217-I522 HydrophobicContact CD1-CG1 4.18Å
218F85.4Confident83.9Confident111 Ų11144 Ų4449%0.48723%0.226SC..Hα-helixtrans-53.4-44.7178.7179.5-98.9000112.9L214 W222L214-F218 VanDerWaalsContact O-CB 3.23Å; L214-F218 WeakPolarHBondContact O-CB 3.3Å; L214-F218 PolarHBondContact O-N 3.2Å; F218-W222 HydrophobicContact CE1-CE3 4.05Å; F218-W222 HydrophobicContact CE2-CE3 4.01Å; F218-W222 HydrophobicContact CE2-CZ3 4.29Å; F218-W222 AromaticContact CZ-CE3 3.51Å; F218-W222 HydrophobicContact CZ-CE3 3.51Å; F218-W222 AromaticContact CZ-CZ3 3.73Å; F218-W222 HydrophobicContact CZ-CZ3 3.73Å; F218-W222 WeakPolarHBondContact O-CB 3.45Å; F218-W222 PolarHBondContact O-N 3.44Å
219I83.6Confident82.9Confident26 Ų2646.4 Ų46.413%0.13324%0.237CC..Hα-helixtrans-67.6-36.5177.1-67.4166.1000111.5F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.46Å; F194-I219 HydrophobicContact CD2-CG2 3.73Å; F194-I219 HydrophobicContact CE2-CB 4.4Å; F194-I219 HydrophobicContact CE2-CG2 3.88Å; A215-I219 WeakPolarHBondContact O-CB 3.35Å; A215-I219 WeakPolarHBondContact O-CD1 3.49Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 3.06Å; F216-I219 PolarHBondContact O-N 3.27Å; L217-I219 VanDerWaalsContact C-N 3.31Å; L217-I219 PolarHBondContact O-N 3.49Å; I219-W223 VanDerWaalsContact O-CB 3.25Å; I219-W223 WeakPolarHBondContact O-CB 3.41Å; I219-W223 PolarHBondContact O-N 3.49Å
220S82.2Confident81.9Confident3 Ų354.3 Ų54.32%0.02127%0.267CS..Hα-helixtrans-69-49.1178.2-58.60000112.1F194 F216 L217 W222 W223 S224F194-S220 WeakPolarHBondContact CE2-OG 3.38Å; F194-S220 VanDerWaalsContact CZ-OG 3.31Å; F194-S220 WeakPolarHBondContact CZ-OG 3.45Å; F216-S220 WeakPolarHBondContact CE2-OG 3.45Å; F216-S220 WeakPolarHBondContact O-CB 3.13Å; F216-S220 PolarHBondContact O-N 2.66Å; F216-S220 PolarHBondContact O-OG 3.29Å; L217-S220 CarbonylContact O-C 3.56Å; L217-S220 WeakPolarHBondContact O-CA 3.38Å; L217-S220 WeakPolarHBondContact O-CB 3.49Å; L217-S220 PolarHBondContact O-N 3.42Å; S220-W222 PolarHBondContact O-N 2.81Å; S220-W223 PolarHBondContact O-N 3.2Å; S220-S224 PolarHBondContact O-N 2.86Å
221T85.7Confident81Confident40 Ų4058.5 Ų58.525%0.24528%0.284CS..Hα-helixtrans-61.4-45.1175.1-41.10000109.7L217 W223 S224 T225 E518L217-T221 PolarHBondContact O-N 3.3Å; L217-T221 PolarHBondContact O-OG1 3.4Å; T221-W223 PolarHBondContact O-N 2.99Å; T221-S224 WeakPolarHBondContact O-CB 3.32Å; T221-S224 PolarHBondContact O-N 3.39Å; T221-S224 PolarHBondContact O-OG 2.99Å; T221-T225 WeakPolarHBondContact O-CG2 3.24Å; T221-T225 PolarHBondContact O-N 3.45Å; T221-T225 VanDerWaalsContact O-N 3.09Å; T221-E518 WeakPolarHBondContact CG2-OE1 3.42Å; T221-E518 PolarHBondContact OG1-OE1 3.12Å
222W84.8Confident80Confident102 Ų10258.1 Ų58.139%0.38630%0.295SS..Hα-helixtrans-57.5-46.8174.5-163.8-70.9000112F218 S220 S224 T225 T227 L229F218-W222 HydrophobicContact CE1-CE3 4.05Å; F218-W222 HydrophobicContact CE2-CE3 4.01Å; F218-W222 HydrophobicContact CE2-CZ3 4.29Å; F218-W222 AromaticContact CZ-CE3 3.51Å; F218-W222 HydrophobicContact CZ-CE3 3.51Å; F218-W222 AromaticContact CZ-CZ3 3.73Å; F218-W222 HydrophobicContact CZ-CZ3 3.73Å; F218-W222 WeakPolarHBondContact O-CB 3.45Å; F218-W222 PolarHBondContact O-N 3.44Å; S220-W222 PolarHBondContact O-N 2.81Å; W222-S224 VanDerWaalsContact C-N 3.28Å; W222-S224 PolarHBondContact O-N 3Å; W222-T225 PolarHBondContact O-N 3.21Å; W222-T225 VanDerWaalsContact O-N 3.15Å; W222-T225 PolarHBondContact O-OG1 2.93Å; W222-T227 PolarHBondContact NE1-OG1 3.26Å; W222-L229 HydrophobicContact CG-CD1 4.15Å
223W82.4Confident79.3Confident118 Ų11861.1 Ų61.145%0.44731%0.313SS..Hα-helixtrans-61.3-34.2175.3179.697.7000112.6I219 S220 T221 Y226 R574I219-W223 VanDerWaalsContact O-CB 3.25Å; I219-W223 WeakPolarHBondContact O-CB 3.41Å; I219-W223 PolarHBondContact O-N 3.49Å; S220-W223 PolarHBondContact O-N 3.2Å; T221-W223 PolarHBondContact O-N 2.99Å; W223-Y226 PolarHBondContact O-N 2.85Å; W223-R574 HydrophobicContact CZ3-CB 4.36Å; W223-R574 PolarHBondContact O-NH1 2.7Å
224S82.6Confident78.7Confident0 Ų062.9 Ų62.90%032%0.32CS..Hα-helixtrans-69.3-30.3175.483.90000113.3S220 T221 W222 Y226 R574S220-S224 PolarHBondContact O-N 2.86Å; T221-S224 WeakPolarHBondContact O-CB 3.32Å; T221-S224 PolarHBondContact O-N 3.39Å; T221-S224 PolarHBondContact O-OG 2.99Å; W222-S224 VanDerWaalsContact C-N 3.28Å; W222-S224 PolarHBondContact O-N 3Å; S224-Y226 PolarHBondContact O-N 2.95Å; S224-Y226 VanDerWaalsContact O-N 3.12Å; S224-R574 VanDerWaalsContact O-CA 3.29Å; S224-R574 WeakPolarHBondContact O-CA 3.32Å
225T82.9Confident78.1Confident55 Ų5559.7 Ų59.734%0.33730%0.303SS..THydrogen-bonded Turntrans-70.9-4178.467.50000114.6T221 W222 T227T221-T225 WeakPolarHBondContact O-CG2 3.24Å; T221-T225 PolarHBondContact O-N 3.45Å; T221-T225 VanDerWaalsContact O-N 3.09Å; W222-T225 PolarHBondContact O-N 3.21Å; W222-T225 VanDerWaalsContact O-N 3.15Å; W222-T225 PolarHBondContact O-OG1 2.93Å; T225-T227 VanDerWaalsContact C-N 3.27Å; T225-T227 PolarHBondContact O-N 3.19Å; T225-T227 PolarHBondContact OG1-OG1 3.11Å
226Y77Confident77.9Confident64 Ų6464.8 Ų64.825%0.25132%0.323SS..THydrogen-bonded Turntrans64.424.8-178.4-165.1-103.9000114.2W223 S224 R578 F581W223-Y226 PolarHBondContact O-N 2.85Å; S224-Y226 PolarHBondContact O-N 2.95Å; S224-Y226 VanDerWaalsContact O-N 3.12Å; Y226-R578 HydrophobicContact CD2-CB 3.98Å; Y226-R578 HydrophobicContact CD2-CG 4.17Å; Y226-R578 HydrophobicContact CE2-CB 4Å; Y226-R578 HydrophobicContact CE2-CG 3.66Å; Y226-R578 HydrophobicContact CG-CB 4.39Å; Y226-F581 HydrophobicContact CD1-CB 4.22Å; Y226-F581 HydrophobicContact CD1-CD1 4.32Å; Y226-F581 HydrophobicContact CD1-CG 4.11Å; Y226-F581 HydrophobicContact CE1-CB 4.23Å; Y226-F581 AromaticContact CE1-CD1 3.56Å; Y226-F581 HydrophobicContact CE1-CD1 3.56Å; Y226-F581 HydrophobicContact CE1-CD2 4.43Å; Y226-F581 AromaticContact CE1-CE1 3.97Å; Y226-F581 HydrophobicContact CE1-CE1 3.97Å; Y226-F581 AromaticContact CE1-CG 3.81Å; Y226-F581 HydrophobicContact CE1-CG 3.81Å
227T72Confident77.6Confident65 Ų6566.3 Ų66.340%0.39933%0.331SS..  trans-99.7140.5178.358.20000112.4W222 T225W222-T227 PolarHBondContact NE1-OG1 3.26Å; T225-T227 VanDerWaalsContact C-N 3.27Å; T225-T227 PolarHBondContact O-N 3.19Å; T225-T227 PolarHBondContact OG1-OG1 3.11Å
228P65.6Low77.5Confident121 Ų12165.8 Ų65.879%0.78633%0.329SS*.  trans-81.4122.3-17630.4-33.8000112.8R230P228-R230 PolarHBondContact O-N 3.12Å
229L64.4Low77.5Confident55 Ų5566.4 Ų66.429%0.28833%0.331SS..  trans-81.2105.8179.7-143159.1000110W222 H231 V233 I237W222-L229 HydrophobicContact CG-CD1 4.15Å; L229-H231 PolarHBondContact O-N 3.41Å; L229-V233 HydrophobicContact CD2-CB 4.34Å; L229-V233 HydrophobicContact CD2-CG1 4.21Å; L229-I237 HydrophobicContact CD2-CD1 4.35Å
230R68.4Low77.7Confident167 Ų16770.7 Ų70.763%0.6335%0.349SS*.  trans-56.5135.7-175.3-75.7-178.1170.4-175.6-2.5111.8P228 G232 V233 Y234P228-R230 PolarHBondContact O-N 3.12Å; R230-G232 PolarHBondContact O-N 2.75Å; R230-G232 VanDerWaalsContact O-N 3.11Å; R230-V233 HydrophobicContact CB-CB 4.48Å; R230-V233 HydrophobicContact CB-CG2 4.16Å; R230-V233 PolarHBondContact O-N 2.96Å; R230-Y234 PolarHBondContact O-N 2.69Å
231H66Low78Confident105 Ų10571 Ų7149%0.48635%0.35SS..Hα-helixtrans-52.6-36.2178.4-81-79.7000114L229 N235 H348L229-H231 PolarHBondContact O-N 3.41Å; H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.21Å; H231-N235 VanDerWaalsContact O-CG 3.28Å; H231-N235 PolarHBondContact O-N 3.3Å; H231-H348 AromaticContact CD2-CE1 3.93Å; H231-H348 AromaticContact CD2-NE2 3.77Å; H231-H348 AromaticContact NE2-CE1 3.66Å; H231-H348 AromaticContact NE2-NE2 3.78Å
232G69.4Low78Confident49 Ų4970.3 Ų70.351%0.50535%0.345SS..Hα-helixtrans-62-47.8173.800000113.1R230 N235 Q236R230-G232 PolarHBondContact O-N 2.75Å; R230-G232 VanDerWaalsContact O-N 3.11Å; G232-N235 CarbonylContact O-C 3.38Å; G232-N235 PolarHBondContact O-N 3.05Å; G232-Q236 WeakPolarHBondContact O-CG 3.4Å; G232-Q236 PolarHBondContact O-N 2.88Å
233V75.7Confident78.2Confident63 Ų6372.3 Ų72.338%0.38236%0.356SS..Hα-helixtrans-65.7-43.3177.8-179.90000110.6L229 R230 N235 Q236 I237L229-V233 HydrophobicContact CD2-CB 4.34Å; L229-V233 HydrophobicContact CD2-CG1 4.21Å; R230-V233 HydrophobicContact CB-CB 4.48Å; R230-V233 HydrophobicContact CB-CG2 4.16Å; R230-V233 PolarHBondContact O-N 2.96Å; V233-N235 VanDerWaalsContact C-N 3.27Å; V233-N235 PolarHBondContact O-N 3.3Å; V233-Q236 WeakPolarHBondContact O-CB 3.47Å; V233-Q236 PolarHBondContact O-N 3.14Å; V233-Q236 VanDerWaalsContact O-N 3.1Å; V233-I237 HydrophobicContact CG1-CD1 4.11Å; V233-I237 WeakPolarHBondContact O-CG1 3.21Å; V233-I237 PolarHBondContact O-N 2.88Å
234Y75.2Confident78.6Confident42 Ų4268.3 Ų68.317%0.16534%0.342CS..Hα-helixtrans-62.4-35.8175.9-170.8-150.4000112.2R230 I237 K238R230-Y234 PolarHBondContact O-N 2.69Å; Y234-I237 PolarHBondContact O-N 3.03Å; Y234-K238 VanDerWaalsContact CD1-CE 3.44Å; Y234-K238 HydrophobicContact CE2-CG 4.46Å; Y234-K238 WeakPolarHBondContact O-CG 3.49Å; Y234-K238 PolarHBondContact O-N 2.73Å
235N77Confident78.8Confident30 Ų3068.3 Ų68.316%0.1634%0.342CS..Hα-helixtrans-77-22.9174.9-73.1-5.7000113.3H231 G232 V233 K238 K239 T330H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.21Å; H231-N235 VanDerWaalsContact O-CG 3.28Å; H231-N235 PolarHBondContact O-N 3.3Å; G232-N235 CarbonylContact O-C 3.38Å; G232-N235 PolarHBondContact O-N 3.05Å; V233-N235 VanDerWaalsContact C-N 3.27Å; V233-N235 PolarHBondContact O-N 3.3Å; N235-K238 PolarHBondContact OD1-NZ 3.02Å; N235-K239 WeakPolarHBondContact O-CG 3.4Å; N235-K239 PolarHBondContact O-N 2.99Å; N235-T330 PolarHBondContact OD1-OG1 3.23Å
236Q81.4Confident79Confident128 Ų12866.8 Ų66.860%0.59834%0.335SS*.Hα-helixtrans-69.2-46.6166.1-74.5169.4-45.200111G232 V233 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.4Å; G232-Q236 PolarHBondContact O-N 2.88Å; V233-Q236 WeakPolarHBondContact O-CB 3.47Å; V233-Q236 PolarHBondContact O-N 3.14Å; V233-Q236 VanDerWaalsContact O-N 3.1Å; Q236-K238 VanDerWaalsContact C-N 3.32Å; Q236-K238 PolarHBondContact O-N 2.95Å; Q236-K239 WeakPolarHBondContact O-CB 3.38Å; Q236-K239 PolarHBondContact O-N 3.46Å; Q236-K239 VanDerWaalsContact O-N 3.09Å; Q236-F240 PolarHBondContact O-N 3.49Å
237I82.3Confident79.5Confident37 Ų3767.8 Ų67.819%0.1934%0.344CS..Hα-helixtrans-57.7-44.3174.5-67.1166.2000110.4L229 V233 Y234 F240 L241L229-I237 HydrophobicContact CD2-CD1 4.35Å; V233-I237 HydrophobicContact CG1-CD1 4.11Å; V233-I237 WeakPolarHBondContact O-CG1 3.21Å; V233-I237 PolarHBondContact O-N 2.88Å; Y234-I237 PolarHBondContact O-N 3.03Å; I237-F240 PolarHBondContact O-N 2.77Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 4.43Å; I237-L241 WeakPolarHBondContact O-CB 3.5Å; I237-L241 WeakPolarHBondContact O-CG 3.33Å; I237-L241 PolarHBondContact O-N 3.47Å
238K84.4Confident80.4Confident1 Ų165.1 Ų65.10%0.00433%0.327CS..Hα-helixtrans-62-42.3172.7-70.5170.6-149.4166.20113.3Y234 N235 Q236 F240 L241 I242 Q326Y234-K238 VanDerWaalsContact CD1-CE 3.44Å; Y234-K238 HydrophobicContact CE2-CG 4.46Å; Y234-K238 WeakPolarHBondContact O-CG 3.49Å; Y234-K238 PolarHBondContact O-N 2.73Å; N235-K238 PolarHBondContact OD1-NZ 3.02Å; Q236-K238 VanDerWaalsContact C-N 3.32Å; Q236-K238 PolarHBondContact O-N 2.95Å; K238-F240 VanDerWaalsContact C-N 3.3Å; K238-F240 PolarHBondContact O-N 3.31Å; K238-L241 PolarHBondContact O-N 3.25Å; K238-I242 WeakPolarHBondContact O-CB 3.46Å; K238-I242 WeakPolarHBondContact O-CD1 3.34Å; K238-I242 WeakPolarHBondContact O-CG1 2.98Å; K238-I242 PolarHBondContact O-N 3Å; K238-Q326 VanDerWaalsContact CE-OE1 3.29Å
239K84.7Confident81.4Confident123 Ų12360.3 Ų60.354%0.53529%0.294SS..Hα-helixtrans-58.1-44.5175.6-87.8-175.9170-171.60111.3N235 Q236 F243 Y327N235-K239 WeakPolarHBondContact O-CG 3.4Å; N235-K239 PolarHBondContact O-N 2.99Å; Q236-K239 WeakPolarHBondContact O-CB 3.38Å; Q236-K239 PolarHBondContact O-N 3.46Å; Q236-K239 VanDerWaalsContact O-N 3.09Å; K239-F243 WeakPolarHBondContact O-CB 3.18Å; K239-F243 PolarHBondContact O-N 3.36Å; K239-Y327 VanDerWaalsContact CE-OH 3.22Å; K239-Y327 WeakPolarHBondContact CE-OH 3.29Å; K239-Y327 HydrophobicContact CG-CE2 4.25Å
240F88.5Confident82.5Confident116 Ų11660.2 Ų60.251%0.50929%0.293SS..Hα-helixtrans-61.4-49175176.6-99.9000111.4I211 Q236 I237 K238 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 4.01Å; I211-F240 HydrophobicContact CG2-CZ 4.44Å; Q236-F240 PolarHBondContact O-N 3.49Å; I237-F240 PolarHBondContact O-N 2.77Å; K238-F240 VanDerWaalsContact C-N 3.3Å; K238-F240 PolarHBondContact O-N 3.31Å; F240-I242 PolarHBondContact O-N 3.13Å; F240-F243 PolarHBondContact O-N 3.04Å; F240-Y244 VanDerWaalsContact O-CB 3.28Å; F240-Y244 WeakPolarHBondContact O-CB 3.39Å; F240-Y244 PolarHBondContact O-N 3.03Å
241L87.2Confident83.3Confident9 Ų955.4 Ų55.45%0.04728%0.282CS..Hα-helixtrans-64.6-34.6178.8-70.9166.4000113.6Y212 I237 K238 S245 F319Y212-L241 HydrophobicContact CD1-CD2 3.89Å; Y212-L241 HydrophobicContact CE1-CD2 4.18Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 4.43Å; I237-L241 WeakPolarHBondContact O-CB 3.5Å; I237-L241 WeakPolarHBondContact O-CG 3.33Å; I237-L241 PolarHBondContact O-N 3.47Å; K238-L241 PolarHBondContact O-N 3.25Å; L241-S245 VanDerWaalsContact O-CB 3.29Å; L241-S245 WeakPolarHBondContact O-CB 3.44Å; L241-S245 PolarHBondContact O-N 3.2Å; L241-S245 PolarHBondContact O-OG 3.47Å; L241-F319 HydrophobicContact CB-CE1 4.09Å; L241-F319 HydrophobicContact CB-CZ 4.13Å; L241-F319 HydrophobicContact CD1-CZ 4.23Å; L241-F319 HydrophobicContact CD2-CE1 4.36Å; L241-F319 HydrophobicContact CD2-CZ 4.23Å; L241-F319 HydrophobicContact CG-CZ 4.44Å
242I86.7Confident84.2Confident26 Ų2650.9 Ų50.913%0.13326%0.261CS..Hα-helixtrans-67.3-46.2173.9-71.5162.8000110.4K238 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.46Å; K238-I242 WeakPolarHBondContact O-CD1 3.34Å; K238-I242 WeakPolarHBondContact O-CG1 2.98Å; K238-I242 PolarHBondContact O-N 3Å; F240-I242 PolarHBondContact O-N 3.13Å; I242-S245 PolarHBondContact O-OG 2.85Å; I242-A246 WeakPolarHBondContact O-CB 3.44Å; I242-A246 PolarHBondContact O-N 3.33Å; I242-A246 VanDerWaalsContact O-N 3.07Å; I242-F320 HydrophobicContact CG2-CD2 4.26Å; I242-F320 HydrophobicContact CG2-CE2 3.96Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.39Å; I242-V324 HydrophobicContact CD1-CG2 4.16Å; I242-V324 HydrophobicContact CG1-CG2 4.06Å; I242-V324 HydrophobicContact CG2-CG2 3.74Å; I242-Y327 HydrophobicContact CD1-CD1 4.27Å; I242-Y327 HydrophobicContact CD1-CG 4.09Å
243F88.3Confident85Confident144 Ų14449.5 Ų49.563%0.63224%0.241SC*.Hα-helixtrans-63.9-44.8176.4178.7-100.2000111.4K239 F240 A246 L247K239-F243 WeakPolarHBondContact O-CB 3.18Å; K239-F243 PolarHBondContact O-N 3.36Å; F240-F243 PolarHBondContact O-N 3.04Å; F243-A246 PolarHBondContact O-N 3.19Å; F243-L247 WeakPolarHBondContact O-CB 3.47Å; F243-L247 PolarHBondContact O-N 3.46Å
244Y90.5Very high85.5Confident35 Ų3548 Ų4814%0.13723%0.232CC..Hα-helixtrans-67.9-40.9-179.7-173.2-105.9000112.7S208 I211 Y212 F240 L247 H248S208-Y244 VanDerWaalsContact CA-OH 3.29Å; S208-Y244 WeakPolarHBondContact CA-OH 3.38Å; S208-Y244 WeakPolarHBondContact CB-OH 3.38Å; S208-Y244 PolarHBondContact O-OH 2.74Å; I211-Y244 HydrophobicContact CB-CE1 4.09Å; I211-Y244 HydrophobicContact CD1-CE1 4.19Å; I211-Y244 HydrophobicContact CD1-CE2 3.85Å; I211-Y244 HydrophobicContact CG2-CD1 4.07Å; I211-Y244 HydrophobicContact CG2-CE1 4.06Å; Y212-Y244 AromaticContact CE1-CD1 3.72Å; Y212-Y244 HydrophobicContact CE1-CD1 3.72Å; Y212-Y244 HydrophobicContact CE1-CE1 4.12Å; Y212-Y244 HydrophobicContact CE2-CE1 4.1Å; Y212-Y244 AromaticContact CZ-CD1 3.66Å; Y212-Y244 AromaticContact CZ-CE1 3.67Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.38Å; F240-Y244 VanDerWaalsContact O-CB 3.28Å; F240-Y244 WeakPolarHBondContact O-CB 3.39Å; F240-Y244 PolarHBondContact O-N 3.03Å; Y244-L247 PolarHBondContact O-N 3.36Å; Y244-H248 HydrophobicContact CE1-CB 4.46Å; Y244-H248 WeakPolarHBondContact O-CB 3.48Å; Y244-H248 PolarHBondContact O-N 3.09Å
245S88.1Confident86Confident0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-67.2-37.1174.651.60000113L241 I242 F249L241-S245 VanDerWaalsContact O-CB 3.29Å; L241-S245 WeakPolarHBondContact O-CB 3.44Å; L241-S245 PolarHBondContact O-N 3.2Å; L241-S245 PolarHBondContact O-OG 3.47Å; I242-S245 PolarHBondContact O-OG 2.85Å; S245-F249 WeakPolarHBondContact O-CB 3.48Å; S245-F249 PolarHBondContact O-N 2.98Å
246A86.6Confident86.3Confident23 Ų2345.6 Ų45.619%0.1922%0.221CC..Hα-helixtrans-62.5-46.4171.300000111.7I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.44Å; I242-A246 PolarHBondContact O-N 3.33Å; I242-A246 VanDerWaalsContact O-N 3.07Å; F243-A246 PolarHBondContact O-N 3.19Å; A246-L250 WeakPolarHBondContact O-CB 3.44Å; A246-L250 PolarHBondContact O-N 3.22Å; A246-F320 HydrophobicContact CB-CD2 4.17Å; A246-F320 HydrophobicContact CB-CE2 3.94Å
247L88.2Confident86.4Confident84 Ų8439.5 Ų39.544%0.4419%0.193SC..Hα-helixtrans-61.4-47.5176.3-174.273.2000111.7F243 Y244 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.47Å; F243-L247 PolarHBondContact O-N 3.46Å; Y244-L247 PolarHBondContact O-N 3.36Å; L247-L250 PolarHBondContact O-N 3.11Å; L247-V251 WeakPolarHBondContact O-CG2 3.45Å; L247-V251 PolarHBondContact O-N 2.99Å
248H89.2Confident86Confident9 Ų938.2 Ų38.24%0.04219%0.187CC..Hα-helixtrans-63.5-42.5-178.7-174.6-161.1000111.7S208 N209 Y212 Y244 V251 L252 V316S208-H248 WeakPolarHBondContact CB-NE2 3.34Å; S208-H248 PolarHBondContact OG-CE1 2.95Å; S208-H248 PolarHBondContact OG-NE2 3.38Å; N209-H248 PolarHBondContact OD1-CE1 3.27Å; Y212-H248 AromaticContact CE2-ND1 3.72Å; Y212-H248 AromaticContact CZ-ND1 3.94Å; Y212-H248 PolarHBondContact OH-ND1 3.17Å; Y244-H248 HydrophobicContact CE1-CB 4.46Å; Y244-H248 WeakPolarHBondContact O-CB 3.48Å; Y244-H248 PolarHBondContact O-N 3.09Å; H248-V251 PolarHBondContact O-N 3.47Å; H248-L252 WeakPolarHBondContact O-CB 3.23Å; H248-L252 VanDerWaalsContact O-CG 3.3Å; H248-L252 WeakPolarHBondContact O-CG 3.45Å; H248-L252 PolarHBondContact O-N 2.89Å; H248-V316 HydrophobicContact CB-CG1 4.49Å
249F87.7Confident85.6Confident21 Ų2140.3 Ų40.39%0.09220%0.197CC..Hα-helixtrans-63.2-41173-172.6-94.3000112.1L21 V36 S245 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.23Å; L21-F249 HydrophobicContact CD2-CZ 4.23Å; V36-F249 HydrophobicContact CG1-CD1 4.22Å; V36-F249 HydrophobicContact CG1-CE1 3.94Å; S245-F249 WeakPolarHBondContact O-CB 3.48Å; S245-F249 PolarHBondContact O-N 2.98Å; F249-L252 PolarHBondContact O-N 2.86Å; F249-Y253 VanDerWaalsContact O-CB 3.3Å; F249-Y253 WeakPolarHBondContact O-CB 3.41Å; F249-Y253 PolarHBondContact O-N 2.82Å; F249-V316 HydrophobicContact CB-CG1 4.26Å; F249-L317 HydrophobicContact CD2-CB 4.23Å; F249-L317 HydrophobicContact CD2-CD1 4.14Å; F249-L317 HydrophobicContact CE1-CD1 4.24Å; F249-L317 HydrophobicContact CE2-CB 4.08Å; F249-L317 HydrophobicContact CE2-CD1 3.82Å; F249-L317 HydrophobicContact CE2-CG 4.45Å; F249-L317 HydrophobicContact CG-CD1 4.49Å; F249-L317 HydrophobicContact CZ-CD1 3.88Å
250L86.6Confident85.3Confident53 Ų5334.7 Ų34.728%0.27717%0.174SC..Hα-helixtrans-65.9-38.9178.6-149.5165.6000111.4L37 A246 L247 Y253 T254L37-L250 HydrophobicContact CD2-CD1 4.3Å; A246-L250 WeakPolarHBondContact O-CB 3.44Å; A246-L250 PolarHBondContact O-N 3.22Å; L247-L250 PolarHBondContact O-N 3.11Å; L250-Y253 PolarHBondContact O-N 3.06Å; L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.05Å; L250-T254 PolarHBondContact O-OG1 2.91Å
251V86.5Confident84.9Confident66 Ų6629.6 Ų29.640%0.415%0.151SC..Hα-helixtrans-65.4-48.3173171.10000111.4L247 H248 Y253 T254 Y255 L277L247-V251 WeakPolarHBondContact O-CG2 3.45Å; L247-V251 PolarHBondContact O-N 2.99Å; H248-V251 PolarHBondContact O-N 3.47Å; V251-Y253 VanDerWaalsContact C-N 3.27Å; V251-Y253 PolarHBondContact O-N 3.31Å; V251-T254 PolarHBondContact O-N 3.47Å; V251-Y255 PolarHBondContact O-N 3.43Å; V251-L277 HydrophobicContact CG1-CD2 3.81Å
252L84.9Confident84.2Confident10 Ų1034.5 Ų34.55%0.05217%0.174CC..Hα-helixtrans-58.2-39176.7-75.5170.3000112.1H248 F249 Q256 L277H248-L252 WeakPolarHBondContact O-CB 3.23Å; H248-L252 VanDerWaalsContact O-CG 3.3Å; H248-L252 WeakPolarHBondContact O-CG 3.45Å; H248-L252 PolarHBondContact O-N 2.89Å; F249-L252 PolarHBondContact O-N 2.86Å; L252-Q256 WeakPolarHBondContact O-CG 3.37Å; L252-Q256 PolarHBondContact O-NE2 3.45Å; L252-L277 HydrophobicContact CD2-CD2 4.18Å
253Y86.1Confident83.7Confident20 Ų2036.9 Ų36.98%0.07819%0.193CC..Hα-helixtrans-69.4-45.9175.8-171.3-93.2000112.3A24 S32 I33 V36 F249 L250 V251 Y255 Q256A24-Y253 HydrophobicContact CB-CE2 4.17Å; A24-Y253 WeakPolarHBondContact CB-OH 3.43Å; A24-Y253 PolarHBondContact O-OH 2.98Å; S32-Y253 VanDerWaalsContact CB-OH 3.3Å; S32-Y253 WeakPolarHBondContact CB-OH 3.41Å; S32-Y253 PolarHBondContact OG-OH 3.14Å; I33-Y253 HydrophobicContact CG1-CE1 4.26Å; V36-Y253 HydrophobicContact CG2-CD1 4.18Å; V36-Y253 HydrophobicContact CG2-CD2 4.16Å; V36-Y253 HydrophobicContact CG2-CE1 3.91Å; V36-Y253 HydrophobicContact CG2-CE2 3.89Å; V36-Y253 HydrophobicContact CG2-CG 4.31Å; F249-Y253 VanDerWaalsContact O-CB 3.3Å; F249-Y253 WeakPolarHBondContact O-CB 3.41Å; F249-Y253 PolarHBondContact O-N 2.82Å; L250-Y253 PolarHBondContact O-N 3.06Å; V251-Y253 VanDerWaalsContact C-N 3.27Å; V251-Y253 PolarHBondContact O-N 3.31Å; Y253-Y255 VanDerWaalsContact C-N 3.25Å; Y253-Y255 PolarHBondContact O-N 3.26Å; Y253-Q256 WeakPolarHBondContact O-CB 3.46Å; Y253-Q256 PolarHBondContact O-N 3.45Å
254T85.2Confident83.3Confident32 Ų3237.4 Ų37.420%0.19619%0.191CC..Hα-helixtrans-61.6-34.6-179.9-56.60000111.6L250 V251 Q256 I257 V260L250-T254 WeakPolarHBondContact O-CB 3.34Å; L250-T254 PolarHBondContact O-N 3.05Å; L250-T254 PolarHBondContact O-OG1 2.91Å; V251-T254 PolarHBondContact O-N 3.47Å; T254-Q256 PolarHBondContact O-N 3.47Å; T254-I257 HydrophobicContact CG2-CD1 4.46Å; T254-I257 WeakPolarHBondContact O-CB 3.3Å; T254-I257 PolarHBondContact O-N 3.1Å; T254-I257 VanDerWaalsContact O-N 3.13Å; T254-V260 HydrophobicContact CG2-CG2 4.14Å; T254-V260 WeakPolarHBondContact O-CG2 3.39Å
255Y86.3Confident82.6Confident5 Ų538.2 Ų38.22%0.0220%0.197CC..THydrogen-bonded Turntrans-63.6-22.6175.2-164.5-113.3000113.9V251 Y253 I257 V260 H261 L265 P272 L277 V279V251-Y255 PolarHBondContact O-N 3.43Å; Y253-Y255 VanDerWaalsContact C-N 3.25Å; Y253-Y255 PolarHBondContact O-N 3.26Å; Y255-I257 VanDerWaalsContact C-N 3.28Å; Y255-I257 PolarHBondContact O-N 2.92Å; Y255-V260 HydrophobicContact CD2-CG1 4.19Å; Y255-H261 HydrophobicContact CD2-CB 4.49Å; Y255-H261 HydrophobicContact CE1-CB 4.36Å; Y255-H261 HydrophobicContact CE2-CB 3.98Å; Y255-H261 PolarHBondContact O-ND1 3.44Å; Y255-L265 HydrophobicContact CD2-CB 4.47Å; Y255-L265 HydrophobicContact CE2-CB 3.86Å; Y255-L265 WeakPolarHBondContact CE2-O 3.45Å; Y255-L265 PolarHBondContact OH-O 3.27Å; Y255-P272 HydrophobicContact CE2-CG 4.3Å; Y255-L277 HydrophobicContact CD1-CB 3.85Å; Y255-L277 HydrophobicContact CD2-CB 4.31Å; Y255-L277 HydrophobicContact CD2-CD1 4.15Å; Y255-L277 HydrophobicContact CE1-CB 3.95Å; Y255-L277 HydrophobicContact CE2-CB 4.43Å; Y255-L277 HydrophobicContact CG-CB 4.05Å; Y255-L277 HydrophobicContact CG-CD1 4.45Å; Y255-V279 HydrophobicContact CD1-CG2 4.37Å; Y255-V279 HydrophobicContact CE1-CG2 3.68Å
256Q84Confident81.9Confident16 Ų1641.5 Ų41.58%0.07522%0.219CC..THydrogen-bonded Turntrans-78.6-9.9176.5-46.3-49.4-4600113.3P28 L252 Y253 T254 T278P28-Q256 HydrophobicContact CB-CB 4.45Å; L252-Q256 WeakPolarHBondContact O-CG 3.37Å; L252-Q256 PolarHBondContact O-NE2 3.45Å; Y253-Q256 WeakPolarHBondContact O-CB 3.46Å; Y253-Q256 PolarHBondContact O-N 3.45Å; T254-Q256 PolarHBondContact O-N 3.47Å; Q256-T278 PolarHBondContact NE2-O 3.44Å
257I81.9Confident81Confident0 Ų044.7 Ų44.70%024%0.236CC..SBendtrans-74.6126.8177.2-56.6177.1000108.3F30 I33 T254 Y255 I259 V260F30-I257 HydrophobicContact CD1-CD1 4.34Å; F30-I257 HydrophobicContact CE1-CD1 4.35Å; F30-I257 HydrophobicContact CE2-CG2 4.43Å; I33-I257 HydrophobicContact CD1-CD1 3.94Å; I33-I257 HydrophobicContact CG1-CD1 4.36Å; T254-I257 HydrophobicContact CG2-CD1 4.46Å; T254-I257 WeakPolarHBondContact O-CB 3.3Å; T254-I257 PolarHBondContact O-N 3.1Å; T254-I257 VanDerWaalsContact O-N 3.13Å; Y255-I257 VanDerWaalsContact C-N 3.28Å; Y255-I257 PolarHBondContact O-N 2.92Å; I257-I259 VanDerWaalsContact C-N 3.28Å; I257-I259 HydrophobicContact CG2-CG2 4.06Å; I257-I259 PolarHBondContact O-N 3.11Å; I257-I259 VanDerWaalsContact O-N 3.08Å; I257-V260 HydrophobicContact CB-CG2 4.05Å; I257-V260 WeakPolarHBondContact O-CB 3.36Å; I257-V260 PolarHBondContact O-N 3.3Å
258P73.6Confident79.9Confident10 Ų1043.3 Ų43.37%0.06524%0.242CC..Hα-helixtrans-50.6-40.6-171.8-33.337.1000115.6V260 H262 S283 W289P258-V260 PolarHBondContact O-N 2.79Å; P258-H262 WeakPolarHBondContact O-CB 3.37Å; P258-H262 PolarHBondContact O-N 3.48Å; P258-H262 VanDerWaalsContact O-N 3.08Å; P258-S283 WeakPolarHBondContact CB-OG 3.18Å; P258-S283 WeakPolarHBondContact CG-OG 3.42Å; P258-W289 HydrophobicContact CG-CH2 3.81Å; P258-W289 HydrophobicContact CG-CZ3 4.29Å
259I77.7Confident79.1Confident44 Ų4444.8 Ų44.823%0.22625%0.253CS..Hα-helixtrans-64.1-29.4-179.1-157.4165.8000112.3F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 4Å; F30-I259 HydrophobicContact CZ-CG2 4.04Å; I257-I259 VanDerWaalsContact C-N 3.28Å; I257-I259 HydrophobicContact CG2-CG2 4.06Å; I257-I259 PolarHBondContact O-N 3.11Å; I257-I259 VanDerWaalsContact O-N 3.08Å; I259-S263 WeakPolarHBondContact CG1-OG 3.39Å; I259-S263 PolarHBondContact O-N 2.98Å; I259-S263 PolarHBondContact O-OG 3.13Å; I259-W264 PolarHBondContact O-N 2.93Å
260V78.3Confident78.7Confident6 Ų648.5 Ų48.54%0.03627%0.269CS..Iπ-helixtrans-76.1-48.8-174.8-177.30000110.8T254 Y255 I257 P258 W264 L265T254-V260 HydrophobicContact CG2-CG2 4.14Å; T254-V260 WeakPolarHBondContact O-CG2 3.39Å; Y255-V260 HydrophobicContact CD2-CG1 4.19Å; I257-V260 HydrophobicContact CB-CG2 4.05Å; I257-V260 WeakPolarHBondContact O-CB 3.36Å; I257-V260 PolarHBondContact O-N 3.3Å; P258-V260 PolarHBondContact O-N 2.79Å; V260-W264 HydrophobicContact CB-CE3 4.47Å; V260-W264 HydrophobicContact CG1-CE3 4.33Å; V260-W264 HydrophobicContact CG2-CD2 4.45Å; V260-W264 HydrophobicContact CG2-CE3 3.86Å; V260-W264 HydrophobicContact CG2-CZ3 4.08Å; V260-W264 CarbonylContact O-C 3.53Å; V260-W264 PolarHBondContact O-N 2.93Å; V260-L265 PolarHBondContact O-N 2.95Å
261H78.5Confident78.4Confident9 Ų950.2 Ų50.24%0.04228%0.278CS..Iπ-helixtrans-82.3-21.9179.359.6-111.7000114.4Y255 P266 V279Y255-H261 HydrophobicContact CD2-CB 4.49Å; Y255-H261 HydrophobicContact CE1-CB 4.36Å; Y255-H261 HydrophobicContact CE2-CB 3.98Å; Y255-H261 PolarHBondContact O-ND1 3.44Å; H261-P266 WeakPolarHBondContact O-CA 3.27Å; H261-V279 HydrophobicContact CB-CG2 3.98Å
262H73.5Confident77.8Confident111 Ų11147.1 Ų47.151%0.51426%0.26SS..Iπ-helixtrans-86.1-35.7173.1-87.9-73.7000114.5P258P258-H262 WeakPolarHBondContact O-CB 3.37Å; P258-H262 PolarHBondContact O-N 3.48Å; P258-H262 VanDerWaalsContact O-N 3.08Å
263S75.6Confident77.3Confident77 Ų7749.6 Ų49.654%0.53827%0.268SS..Iπ-helixtrans-123.6-17.6-170.375.80000116.5I259I259-S263 WeakPolarHBondContact CG1-OG 3.39Å; I259-S263 PolarHBondContact O-N 2.98Å; I259-S263 PolarHBondContact O-OG 3.13Å
264W80.7Confident77.1Confident155 Ų15550.4 Ų50.459%0.58727%0.274SS*.Iπ-helixtrans-105.2-40179.1-60.3-1.9000113F30 I259 V260F30-W264 HydrophobicContact CZ-CH2 4.19Å; I259-W264 PolarHBondContact O-N 2.93Å; V260-W264 HydrophobicContact CB-CE3 4.47Å; V260-W264 HydrophobicContact CG1-CE3 4.33Å; V260-W264 HydrophobicContact CG2-CD2 4.45Å; V260-W264 HydrophobicContact CG2-CE3 3.86Å; V260-W264 HydrophobicContact CG2-CZ3 4.08Å; V260-W264 CarbonylContact O-C 3.53Å; V260-W264 PolarHBondContact O-N 2.93Å
265L75Confident77Confident52 Ų5252.8 Ų52.827%0.27228%0.282SS..SBendtrans-142.476.2-173.2-77.9166.2000111.1Y255 V260 L271 P272Y255-L265 HydrophobicContact CD2-CB 4.47Å; Y255-L265 HydrophobicContact CE2-CB 3.86Å; Y255-L265 WeakPolarHBondContact CE2-O 3.45Å; Y255-L265 PolarHBondContact OH-O 3.27Å; V260-L265 PolarHBondContact O-N 2.95Å; L265-L271 HydrophobicContact CD2-CB 4.13Å; L265-L271 HydrophobicContact CD2-CD1 4.23Å; L265-P272 HydrophobicContact CB-CG 4.37Å
266P74.6Confident76.4Confident69 Ų6952.8 Ų52.845%0.44828%0.283SS..  trans-62.6142.5-175.325.4-34.3000113.1H261 G268 S269H261-P266 WeakPolarHBondContact O-CA 3.27Å; P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 3.26Å; P266-S269 WeakPolarHBondContact O-CB 3.39Å; P266-S269 PolarHBondContact O-N 3.43Å; P266-S269 PolarHBondContact O-OG 2.91Å
267T66.3Low76.1Confident90 Ų9052.9 Ų52.955%0.55228%0.284SS*.THydrogen-bonded Turntrans-56-35.7-167.3500000115.5S269 V279T267-S269 VanDerWaalsContact C-N 3.32Å; T267-S269 PolarHBondContact O-N 2.79Å; T267-V279 HydrophobicContact CG2-CG2 3.78Å
268G65.6Low75.8Confident55 Ų5555.1 Ų55.157%0.56730%0.298SS*.THydrogen-bonded Turntrans-76.6-12.8178.900000115.2P266 R273P266-G268 VanDerWaalsContact C-N 3.34Å; P266-G268 PolarHBondContact O-N 3.26Å; G268-R273 PolarHBondContact O-NE 3.27Å; G268-R273 PolarHBondContact O-NH2 2.77Å; G268-R273 VanDerWaalsContact O-NH2 3.13Å
269S72.9Confident75.8Confident39 Ų3956.5 Ų56.527%0.27331%0.306SS..SBendtrans-72155.8-173.765.40000113.2P266 T267 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.39Å; P266-S269 PolarHBondContact O-N 3.43Å; P266-S269 PolarHBondContact O-OG 2.91Å; T267-S269 VanDerWaalsContact C-N 3.32Å; T267-S269 PolarHBondContact O-N 2.79Å; S269-L271 VanDerWaalsContact C-N 3.31Å; S269-L271 PolarHBondContact O-N 3.35Å; S269-P272 WeakPolarHBondContact O-CD 3.28Å; S269-P272 WeakPolarHBondContact OG-CD 3.43Å
270F78.4Confident75.5Confident100 Ų10056.5 Ų56.544%0.43931%0.306SS..Hα-helixtrans-60.6-35.3-177.4173.7-108.7000113.4R273 L274 E534F270-R273 PolarHBondContact O-N 3.38Å; F270-L274 HydrophobicContact CE1-CB 4.48Å; F270-L274 HydrophobicContact CE1-CD2 3.75Å; F270-L274 HydrophobicContact CE2-CB 4.5Å; F270-L274 HydrophobicContact CZ-CB 4.34Å; F270-L274 HydrophobicContact CZ-CD1 4.26Å; F270-L274 HydrophobicContact CZ-CD2 3.9Å; F270-L274 HydrophobicContact CZ-CG 4.4Å; F270-L274 VanDerWaalsContact O-CB 3.29Å; F270-L274 WeakPolarHBondContact O-CB 3.24Å; F270-L274 PolarHBondContact O-N 2.86Å; F270-E534 HydrophobicContact CD2-CG 4.43Å
271L80.1Confident75Confident88 Ų8857 Ų5746%0.46131%0.308SS..Hα-helixtrans-63-53-176.3-81.4165.7000113.1L265 S269 R273 F275L265-L271 HydrophobicContact CD2-CB 4.13Å; L265-L271 HydrophobicContact CD2-CD1 4.23Å; S269-L271 VanDerWaalsContact C-N 3.31Å; S269-L271 PolarHBondContact O-N 3.35Å; L271-R273 PolarHBondContact O-N 3.06Å; L271-F275 HydrophobicContact CD2-CD2 4.19Å; L271-F275 HydrophobicContact CD2-CE2 3.82Å; L271-F275 WeakPolarHBondContact O-CD2 3.18Å; L271-F275 PolarHBondContact O-N 3.05Å
272P75.6Confident74.2Confident2 Ų259.7 Ų59.71%0.01332%0.323CS..Hα-helixtrans-53.3-46.2171.4-30.736.7000114.3Y255 L265 S269 G276 L277Y255-P272 HydrophobicContact CE2-CG 4.3Å; L265-P272 HydrophobicContact CB-CG 4.37Å; S269-P272 WeakPolarHBondContact O-CD 3.28Å; S269-P272 WeakPolarHBondContact OG-CD 3.43Å; P272-G276 CarbonylContact O-C 3.6Å; P272-G276 WeakPolarHBondContact O-CA 3.5Å; P272-G276 PolarHBondContact O-N 3.39Å; P272-L277 HydrophobicContact CB-CB 4.23Å; P272-L277 PolarHBondContact O-N 2.95Å
273R74Confident73.6Confident62 Ų6254.4 Ų54.423%0.23430%0.299CS..Hα-helixtrans-63.9-50.2-179.6-72.3-172.5-77.2118.3-3.1111.9G268 F270 L271 F275 G276 E534G268-R273 PolarHBondContact O-NE 3.27Å; G268-R273 PolarHBondContact O-NH2 2.77Å; G268-R273 VanDerWaalsContact O-NH2 3.13Å; F270-R273 PolarHBondContact O-N 3.38Å; L271-R273 PolarHBondContact O-N 3.06Å; R273-F275 PolarHBondContact O-N 3.38Å; R273-G276 PolarHBondContact O-N 2.61Å; R273-E534 IonicContact CZ-OE1 2.88Å; R273-E534 VanDerWaalsContact CZ-OE1 3.24Å; R273-E534 IonicContact CZ-OE2 3.34Å; R273-E534 VanDerWaalsContact NH1-CD 3.26Å; R273-E534 IonicContact NH1-OE1 2.76Å; R273-E534 PolarHBondContact NH1-OE1 3.1Å; R273-E534 IonicContact NH1-OE2 3.58Å; R273-E534 PolarHBondContact NH1-OE2 3.39Å; R273-E534 IonicContact NH2-OE1 3.83Å; R273-E534 PolarHBondContact NH2-OE1 3.46Å
274L81.9Confident72.7Confident36 Ų3653 Ų5319%0.18829%0.289CS..Hα-helixtrans-57-46.5176.8-178.868.3000113L207 F270 G276 M529L207-L274 HydrophobicContact CB-CD1 4.29Å; L207-L274 HydrophobicContact CB-CG 4.15Å; L207-L274 WeakPolarHBondContact CB-O 3.38Å; L207-L274 HydrophobicContact CD2-CD1 4.28Å; L207-L274 HydrophobicContact CD2-CD2 3.86Å; L207-L274 HydrophobicContact CD2-CG 3.86Å; L207-L274 PolarHBondContact N-O 2.93Å; F270-L274 HydrophobicContact CE1-CB 4.48Å; F270-L274 HydrophobicContact CE1-CD2 3.75Å; F270-L274 HydrophobicContact CE2-CB 4.5Å; F270-L274 HydrophobicContact CZ-CB 4.34Å; F270-L274 HydrophobicContact CZ-CD1 4.26Å; F270-L274 HydrophobicContact CZ-CD2 3.9Å; F270-L274 HydrophobicContact CZ-CG 4.4Å; F270-L274 VanDerWaalsContact O-CB 3.29Å; F270-L274 WeakPolarHBondContact O-CB 3.24Å; F270-L274 PolarHBondContact O-N 2.86Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 3.01Å; L274-M529 HydrophobicContact CD1-CE 4.28Å
275F82.1Confident71.7Confident83 Ų8348.6 Ų48.636%0.36428%0.281SS..Hα-helixtrans-79.2-6.1178.2-77.5-69.5000113.8L207 S208 L271 R273 L277L207-F275 HydrophobicContact CB-CD1 4.45Å; L207-F275 HydrophobicContact CD2-CD1 4.35Å; L207-F275 HydrophobicContact CD2-CE1 3.89Å; L207-F275 HydrophobicContact CD2-CZ 4.17Å; L207-F275 HydrophobicContact CG-CE1 4.4Å; S208-F275 PolarHBondContact OG-O 2.93Å; S208-F275 VanDerWaalsContact OG-O 3.14Å; L271-F275 HydrophobicContact CD2-CD2 4.19Å; L271-F275 HydrophobicContact CD2-CE2 3.82Å; L271-F275 WeakPolarHBondContact O-CD2 3.18Å; L271-F275 PolarHBondContact O-N 3.05Å; R273-F275 PolarHBondContact O-N 3.38Å; F275-L277 VanDerWaalsContact C-N 3.29Å; F275-L277 HydrophobicContact CB-CD1 4.31Å; F275-L277 HydrophobicContact CB-CD2 4.47Å; F275-L277 HydrophobicContact CB-CG 3.91Å; F275-L277 PolarHBondContact O-N 3.5Å
276G74.4Confident70.7Confident5 Ų551.6 Ų51.65%0.05230%0.304CS..THydrogen-bonded Turntrans69.522.4-177.500000114.1K204 P272 R273 L274 T278K204-G276 PolarHBondContact NZ-O 3.31Å; P272-G276 CarbonylContact O-C 3.6Å; P272-G276 WeakPolarHBondContact O-CA 3.5Å; P272-G276 PolarHBondContact O-N 3.39Å; R273-G276 PolarHBondContact O-N 2.61Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 3.01Å; G276-T278 PolarHBondContact O-N 2.91Å
277L78.3Confident69.7Low17 Ų1753.7 Ų53.79%0.08931%0.307CS..  trans-73.5122.5176.4-53.9178.5000109.4V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD2 3.81Å; L252-L277 HydrophobicContact CD2-CD2 4.18Å; Y255-L277 HydrophobicContact CD1-CB 3.85Å; Y255-L277 HydrophobicContact CD2-CB 4.31Å; Y255-L277 HydrophobicContact CD2-CD1 4.15Å; Y255-L277 HydrophobicContact CE1-CB 3.95Å; Y255-L277 HydrophobicContact CE2-CB 4.43Å; Y255-L277 HydrophobicContact CG-CB 4.05Å; Y255-L277 HydrophobicContact CG-CD1 4.45Å; P272-L277 HydrophobicContact CB-CB 4.23Å; P272-L277 PolarHBondContact O-N 2.95Å; F275-L277 VanDerWaalsContact C-N 3.29Å; F275-L277 HydrophobicContact CB-CD1 4.31Å; F275-L277 HydrophobicContact CB-CD2 4.47Å; F275-L277 HydrophobicContact CB-CG 3.91Å; F275-L277 PolarHBondContact O-N 3.5Å
278T74.5Confident69.1Low48 Ų4853.1 Ų53.129%0.29430%0.295SS..  trans-131.8143.6178.335.60000111.4K204 Q256 G276 L309K204-T278 PolarHBondContact NZ-OG1 3.48Å; Q256-T278 PolarHBondContact NE2-O 3.44Å; G276-T278 PolarHBondContact O-N 2.91Å; T278-L309 HydrophobicContact CG2-CD2 3.95Å
279V73.8Confident68.7Low38 Ų3853.1 Ų53.123%0.2328%0.278CS..  trans-76.4127.2176.9-1800000108.9Y255 H261 T267 M281Y255-V279 HydrophobicContact CD1-CG2 4.37Å; Y255-V279 HydrophobicContact CE1-CG2 3.68Å; H261-V279 HydrophobicContact CB-CG2 3.98Å; T267-V279 HydrophobicContact CG2-CG2 3.78Å; V279-M281 VanDerWaalsContact CG1-C 3.5Å; V279-M281 WeakPolarHBondContact CG1-O 3.36Å
280L70.9Confident68Low45 Ų4556.5 Ų56.524%0.23629%0.288CS..SBendtrans-102.7-16.3176.9-63.2162.8000111.7P292 Y310 P313L280-P292 WeakPolarHBondContact O-CD 3.39Å; L280-Y310 HydrophobicContact CD2-CD1 3.76Å; L280-Y310 HydrophobicContact CD2-CE1 4.25Å; L280-P313 HydrophobicContact CD1-CG 3.98Å
281M67.4Low67Low17 Ų1754.9 Ų54.98%0.08428%0.281CS..SBendtrans-141.7109.6178.6-64.4179.965.100109.3P28 R121 V279 W289 F291P28-M281 HydrophobicContact CG-CE 4.49Å; P28-M281 HydrophobicContact CG-SD 4.19Å; R121-M281 VanDerWaalsContact NH2-CE 3.27Å; V279-M281 VanDerWaalsContact CG1-C 3.5Å; V279-M281 WeakPolarHBondContact CG1-O 3.36Å; M281-W289 HydrophobicContact CB-CE3 4.43Å; M281-W289 HydrophobicContact CE-CE3 3.78Å; M281-W289 HydrophobicContact CE-CZ3 4.08Å; M281-F291 HydrophobicContact CE-CE1 3.71Å; M281-F291 HydrophobicContact CE-CE2 4.22Å; M281-F291 HydrophobicContact CE-CZ 3.48Å; M281-F291 VanDerWaalsContact CE-CZ 3.48Å; M281-F291 HydrophobicContact CG-CD1 3.78Å; M281-F291 HydrophobicContact CG-CE1 3.49Å; M281-F291 VanDerWaalsContact CG-CE1 3.49Å; M281-F291 HydrophobicContact CG-CZ 4.26Å; M281-F291 HydrophobicContact SD-CE1 3.65Å; M281-F291 HydrophobicContact SD-CZ 4.02Å
282D63.5Low65.9Low64 Ų6453.7 Ų53.734%0.34228%0.278SS..BIsolated β-bridgetrans-77.4154.5169.1-163.4-32.3000109.3S284 W289 K290D282-S284 WeakPolarHBondContact OD1-CB 3.46Å; D282-S284 PolarHBondContact OD1-N 2.93Å; D282-S284 VanDerWaalsContact OD1-N 3.17Å; D282-S284 PolarHBondContact OD1-OG 3.09Å; D282-W289 CarbonylContact O-C 3.59Å; D282-W289 VanDerWaalsContact O-CA 3.32Å; D282-W289 WeakPolarHBondContact O-CA 3.06Å; D282-K290 HydrophobicContact CB-CB 4.13Å; D282-K290 PolarHBondContact N-O 2.81Å; D282-K290 PolarHBondContact O-N 3Å
283S60.9Low64.7Low1 Ų160 Ų601%0.00731%0.305CS..  trans-144.628.3-175.667.20000115.3R104 P258 W288R104-S283 PolarHBondContact NH1-O 3.37Å; R104-S283 PolarHBondContact NH2-O 2.92Å; R104-S283 PolarHBondContact NH2-OG 3.46Å; P258-S283 WeakPolarHBondContact CB-OG 3.18Å; P258-S283 WeakPolarHBondContact CG-OG 3.42Å; S283-W288 CarbonylContact C-O 3.47Å; S283-W288 WeakPolarHBondContact CA-O 3.5Å; S283-W288 WeakPolarHBondContact CB-O 3.13Å
284S56.7Low63.4Low47 Ų4761.7 Ų61.733%0.32932%0.323SS..  trans-76.6134.1-177.340.60000113.7D282 E287D282-S284 WeakPolarHBondContact OD1-CB 3.46Å; D282-S284 PolarHBondContact OD1-N 2.93Å; D282-S284 VanDerWaalsContact OD1-N 3.17Å; D282-S284 PolarHBondContact OD1-OG 3.09Å; S284-E287 CarbonylContact O-C 3.47Å; S284-E287 PolarHBondContact O-N 3.44Å
285C58Low61.8Low63 Ų6361.7 Ų61.743%0.42633%0.328SS..SBendtrans-66.4141.2170.8-73.50000110C95C95-C285 HydrophobicContact CB-CB 3.91Å; C95-C285 WeakPolarHBondContact CB-SG 3.44Å; C95-C285 WeakPolarHBondContact SG-CB 3.26Å; C95-C285 CovalentContact SG-SG 2.06Å; C95-C285 PolarHBondContact SG-SG 3.36Å
286P54.6Low60.1Low115 Ų11563.4 Ų63.475%0.74735%0.347SS*.SBendcis-86.9-19.115.932.8-36.1000116.3W288P286-W288 PolarHBondContact O-NE1 2.99Å
287E52.8Low58.9Low112 Ų11270 Ų7052%0.52338%0.381SS..SBendtrans-99.196.2-173.7-68.3179.9128.900111S284 W289 K290S284-E287 CarbonylContact O-C 3.47Å; S284-E287 PolarHBondContact O-N 3.44Å; E287-W289 PolarHBondContact O-N 2.88Å; E287-K290 WeakPolarHBondContact OE2-CE 3.32Å; E287-K290 IonicContact OE2-NZ 2.7Å; E287-K290 PolarHBondContact OE2-NZ 2.72Å
288W53.9Low57.7Low79 Ų7975 Ų7530%0.29940%0.402SS..SBendtrans-60.6-17.1-156.9-51.5-25.4000116.7H112 E118 S283 P286H112-W288 AromaticContact CD2-CZ3 3.95Å; H112-W288 AromaticContact CE1-CH2 3.43Å; H112-W288 VanDerWaalsContact CE1-CH2 3.43Å; H112-W288 WeakPolarHBondContact CE1-CH2 3.34Å; H112-W288 AromaticContact CG-CH2 3.98Å; H112-W288 AromaticContact CG-CZ3 3.89Å; H112-W288 AromaticContact ND1-CH2 3.56Å; H112-W288 AromaticContact ND1-CZ3 3.96Å; H112-W288 AromaticContact NE2-CH2 3.8Å; E118-W288 VanDerWaalsContact OE2-CZ3 3.24Å; E118-W288 WeakPolarHBondContact OE2-CZ3 3.41Å; S283-W288 CarbonylContact C-O 3.47Å; S283-W288 WeakPolarHBondContact CA-O 3.5Å; S283-W288 WeakPolarHBondContact CB-O 3.13Å; P286-W288 PolarHBondContact O-NE1 2.99Å
289W57.2Low56.6Low55 Ų5578.3 Ų78.321%0.20842%0.418CS..  trans-149.6108.9175.3-6398.6000112.4P28 R121 P258 M281 D282 E287P28-W289 HydrophobicContact CG-CH2 4.49Å; P28-W289 HydrophobicContact CG-CZ3 4.45Å; R121-W289 VanDerWaalsContact NH2-CE2 3.32Å; R121-W289 VanDerWaalsContact NH2-CH2 3.32Å; R121-W289 VanDerWaalsContact NH2-CZ2 3.31Å; R121-W289 VanDerWaalsContact NH2-CZ3 3.35Å; P258-W289 HydrophobicContact CG-CH2 3.81Å; P258-W289 HydrophobicContact CG-CZ3 4.29Å; M281-W289 HydrophobicContact CB-CE3 4.43Å; M281-W289 HydrophobicContact CE-CE3 3.78Å; M281-W289 HydrophobicContact CE-CZ3 4.08Å; D282-W289 CarbonylContact O-C 3.59Å; D282-W289 VanDerWaalsContact O-CA 3.32Å; D282-W289 WeakPolarHBondContact O-CA 3.06Å; E287-W289 PolarHBondContact O-N 2.88Å
290K58Low55.7Low110 Ų11082.5 Ų82.548%0.47844%0.44SS..BIsolated β-bridgetrans-106.4120.3174.3-119.8167.9173.9162.70110.5D282 E287D282-K290 HydrophobicContact CB-CB 4.13Å; D282-K290 PolarHBondContact N-O 2.81Å; D282-K290 PolarHBondContact O-N 3Å; E287-K290 WeakPolarHBondContact OE2-CE 3.32Å; E287-K290 IonicContact OE2-NZ 2.7Å; E287-K290 PolarHBondContact OE2-NZ 2.72Å
291F59.5Low54.9Low66 Ų6684.9 Ų84.929%0.28945%0.453SS..  trans-92.2122.4167.9-71.6-84.7000108.8M281 F293 V294M281-F291 HydrophobicContact CE-CE1 3.71Å; M281-F291 HydrophobicContact CE-CE2 4.22Å; M281-F291 HydrophobicContact CE-CZ 3.48Å; M281-F291 VanDerWaalsContact CE-CZ 3.48Å; M281-F291 HydrophobicContact CG-CD1 3.78Å; M281-F291 HydrophobicContact CG-CE1 3.49Å; M281-F291 VanDerWaalsContact CG-CE1 3.49Å; M281-F291 HydrophobicContact CG-CZ 4.26Å; M281-F291 HydrophobicContact SD-CE1 3.65Å; M281-F291 HydrophobicContact SD-CZ 4.02Å; F291-F293 HydrophobicContact CB-CD1 3.62Å; F291-F293 HydrophobicContact CB-CE1 3.52Å; F291-F293 HydrophobicContact CB-CZ 4.44Å; F291-F293 HydrophobicContact CD1-CD1 4.26Å; F291-F293 AromaticContact CD1-CE1 3.73Å; F291-F293 HydrophobicContact CD1-CE1 3.73Å; F291-F293 HydrophobicContact CD2-CE1 4.43Å; F291-F293 HydrophobicContact CE1-CE1 4.48Å; F291-F293 HydrophobicContact CG-CD1 4.22Å; F291-F293 AromaticContact CG-CE1 3.68Å; F291-F293 HydrophobicContact CG-CE1 3.68Å; F291-F293 PolarHBondContact O-N 3.07Å; F291-V294 HydrophobicContact CB-CG2 4.19Å; F291-V294 PolarHBondContact O-N 3.26Å
292P55.1Low54.4Low63 Ų6386.1 Ų86.141%0.40946%0.46SS..THydrogen-bonded Turntrans-62.8-5.5-178.3-26.236.1000116.3L280L280-P292 WeakPolarHBondContact O-CD 3.39Å
293F51.5Low53.9Low133 Ų13387.8 Ų87.858%0.58347%0.468SS*.THydrogen-bonded Turntrans-89.4-0.6176.979.8-93.5000114.5F291F291-F293 HydrophobicContact CB-CD1 3.62Å; F291-F293 HydrophobicContact CB-CE1 3.52Å; F291-F293 HydrophobicContact CB-CZ 4.44Å; F291-F293 HydrophobicContact CD1-CD1 4.26Å; F291-F293 AromaticContact CD1-CE1 3.73Å; F291-F293 HydrophobicContact CD1-CE1 3.73Å; F291-F293 HydrophobicContact CD2-CE1 4.43Å; F291-F293 HydrophobicContact CE1-CE1 4.48Å; F291-F293 HydrophobicContact CG-CD1 4.22Å; F291-F293 AromaticContact CG-CE1 3.68Å; F291-F293 HydrophobicContact CG-CE1 3.68Å; F291-F293 PolarHBondContact O-N 3.07Å
294V47.4Very low53.8Low99 Ų9993 Ų9360%0.650%0.495SS*.SBendtrans-123.513.6-174.6-154.70000112.6F291F291-V294 HydrophobicContact CB-CG2 4.19Å; F291-V294 PolarHBondContact O-N 3.26Å
295A48.1Very low54Low36 Ų3694.3 Ų94.330%0.29850%0.496SS..  trans-78.6124.317300000109.4D297 F298A295-D297 PolarHBondContact O-N 3.43Å; A295-F298 HydrophobicContact CB-CD2 4.08Å; A295-F298 HydrophobicContact CB-CE2 4.47Å
296P46.2Very low54.4Low118 Ų11894.7 Ų94.777%0.76649%0.491SS*.THydrogen-bonded Turntrans-74.2-4.5-175.731.8-36.4000114
297D49.5Very low55.4Low144 Ų14494.2 Ų94.277%0.7747%0.474SS*.THydrogen-bonded Turntrans-96.910.8-169.7-45.2-60.2000113.9A295A295-D297 PolarHBondContact O-N 3.43Å
298F51.7Low56.5Low121 Ų12188.9 Ų88.953%0.53145%0.45SS..SBendtrans-113.3129.9-179.8-82-75.5000112.2A295 D302A295-F298 HydrophobicContact CB-CD2 4.08Å; A295-F298 HydrophobicContact CB-CE2 4.47Å; F298-D302 HydrophobicContact CD1-CB 4.15Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.48Å; F298-D302 VanDerWaalsContact CE1-OD2 3.25Å; F298-D302 WeakPolarHBondContact CE1-OD2 3.49Å
299N51.4Low57.4Low118 Ų11887.1 Ų87.163%0.63145%0.446SS*.  trans-59.9149.1170-88.819.1000111.9D301 D302 L303N299-D301 HydrophobicContact CB-CB 4.41Å; N299-D301 PolarHBondContact O-N 3.12Å; N299-D302 WeakPolarHBondContact O-CB 3.43Å; N299-D302 PolarHBondContact O-N 3.39Å; N299-L303 PolarHBondContact O-N 2.99Å
300D54.6Low58.3Low127 Ų12788.3 Ų88.368%0.67945%0.451SS*.Hα-helixtrans-54-34.7172.8-74.4-52.1000112.9D302 L303 I304D300-D302 PolarHBondContact O-N 3.27Å; D300-L303 WeakPolarHBondContact O-CB 3.23Å; D300-L303 PolarHBondContact O-N 3.02Å; D300-I304 WeakPolarHBondContact O-CG1 3.46Å; D300-I304 PolarHBondContact O-N 2.9Å
301D55.7Low59.3Low94 Ų9483.9 Ų83.950%0.50343%0.434SS..Hα-helixtrans-52.8-41.3174.1-58.7-55.7000112.2N299 I304 M305N299-D301 HydrophobicContact CB-CB 4.41Å; N299-D301 PolarHBondContact O-N 3.12Å; D301-I304 CarbonylContact O-C 3.54Å; D301-I304 WeakPolarHBondContact O-CB 3.46Å; D301-I304 PolarHBondContact O-N 3.1Å; D301-M305 HydrophobicContact CB-CE 4.27Å; D301-M305 VanDerWaalsContact O-CG 3.25Å; D301-M305 WeakPolarHBondContact O-CG 3.35Å; D301-M305 PolarHBondContact O-N 3.48Å
302D55.9Low60.5Low44 Ų4480.9 Ų80.924%0.23542%0.421CS..Hα-helixtrans-78-28-174.2-150.6-4.1000111.4F298 N299 D300 M305 K306F298-D302 HydrophobicContact CD1-CB 4.15Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.48Å; F298-D302 VanDerWaalsContact CE1-OD2 3.25Å; F298-D302 WeakPolarHBondContact CE1-OD2 3.49Å; N299-D302 WeakPolarHBondContact O-CB 3.43Å; N299-D302 PolarHBondContact O-N 3.39Å; D300-D302 PolarHBondContact O-N 3.27Å; D302-M305 PolarHBondContact O-N 2.97Å; D302-K306 WeakPolarHBondContact O-CB 3.45Å; D302-K306 WeakPolarHBondContact O-CD 3.49Å; D302-K306 WeakPolarHBondContact O-CG 3.41Å; D302-K306 PolarHBondContact O-N 3.42Å; D302-K306 VanDerWaalsContact O-N 3.17Å; D302-K306 WeakPolarHBondContact OD1-CD 3.23Å; D302-K306 WeakPolarHBondContact OD1-CE 3.32Å; D302-K306 IonicContact OD1-NZ 2.66Å; D302-K306 PolarHBondContact OD1-NZ 3.17Å; D302-K306 IonicContact OD2-NZ 2.81Å; D302-K306 PolarHBondContact OD2-NZ 2.79Å
303L53Low61.8Low98 Ų9878.9 Ų78.951%0.51341%0.409SS..Hα-helixtrans-64.7-44.3167.5-164.578.4000110.7N299 D300 M305 K306 W307N299-L303 PolarHBondContact O-N 2.99Å; D300-L303 WeakPolarHBondContact O-CB 3.23Å; D300-L303 PolarHBondContact O-N 3.02Å; L303-M305 VanDerWaalsContact C-N 3.3Å; L303-M305 PolarHBondContact O-N 2.91Å; L303-K306 PolarHBondContact O-N 2.64Å; L303-W307 PolarHBondContact O-N 3.39Å
304I58.1Low63.3Low112 Ų11277.8 Ų77.857%0.57441%0.407SS*.Hα-helixtrans-64.5-34.1174.8-64.7168.1000110.9D300 D301 W307 V553D300-I304 WeakPolarHBondContact O-CG1 3.46Å; D300-I304 PolarHBondContact O-N 2.9Å; D301-I304 CarbonylContact O-C 3.54Å; D301-I304 WeakPolarHBondContact O-CB 3.46Å; D301-I304 PolarHBondContact O-N 3.1Å; I304-W307 VanDerWaalsContact O-CD1 3.23Å; I304-V553 WeakPolarHBondContact O-CG2 3.28Å
305M61.2Low65.2Low73 Ų7373.6 Ų73.636%0.3638%0.382SS..Hα-helixtrans-76.4-17178.1-70.8176.2-162.200114.5D301 D302 L303 L551 P552 V553D301-M305 HydrophobicContact CB-CE 4.27Å; D301-M305 VanDerWaalsContact O-CG 3.25Å; D301-M305 WeakPolarHBondContact O-CG 3.35Å; D301-M305 PolarHBondContact O-N 3.48Å; D302-M305 PolarHBondContact O-N 2.97Å; L303-M305 VanDerWaalsContact C-N 3.3Å; L303-M305 PolarHBondContact O-N 2.91Å; M305-L551 HydrophobicContact CG-CD2 4.1Å; M305-L551 HydrophobicContact SD-CD2 3.58Å; M305-L551 VanDerWaalsContact SD-CD2 3.58Å; M305-P552 WeakPolarHBondContact O-CG 3.18Å; M305-V553 WeakPolarHBondContact O-CG2 2.94Å
306K67.2Low67Low71 Ų7171.9 Ų71.931%0.30937%0.368SS..Hα-helixtrans-111.7-3.5-172.5-72.6164.2176.9155.50115.7D302 L303 P308 L309 Y310D302-K306 WeakPolarHBondContact O-CB 3.45Å; D302-K306 WeakPolarHBondContact O-CD 3.49Å; D302-K306 WeakPolarHBondContact O-CG 3.41Å; D302-K306 PolarHBondContact O-N 3.42Å; D302-K306 VanDerWaalsContact O-N 3.17Å; D302-K306 WeakPolarHBondContact OD1-CD 3.23Å; D302-K306 WeakPolarHBondContact OD1-CE 3.32Å; D302-K306 IonicContact OD1-NZ 2.66Å; D302-K306 PolarHBondContact OD1-NZ 3.17Å; D302-K306 IonicContact OD2-NZ 2.81Å; D302-K306 PolarHBondContact OD2-NZ 2.79Å; L303-K306 PolarHBondContact O-N 2.64Å; K306-P308 WeakPolarHBondContact O-CD 3.32Å; K306-P308 VanDerWaalsContact O-N 3.13Å; K306-L309 HydrophobicContact CB-CD1 4.14Å; K306-L309 HydrophobicContact CG-CD1 4.28Å; K306-L309 WeakPolarHBondContact O-CB 3.17Å; K306-L309 PolarHBondContact O-N 2.54Å; K306-Y310 HydrophobicContact CB-CE2 4.42Å
307W75.4Confident68.9Low105 Ų10568 Ų6840%0.39834%0.341SS..Hα-helixtrans-51.3-34.7-177.778.4-101.3000117.3L303 I304 L309 Y310 A311L303-W307 PolarHBondContact O-N 3.39Å; I304-W307 VanDerWaalsContact O-CD1 3.23Å; W307-L309 PolarHBondContact O-N 3.09Å; W307-Y310 PolarHBondContact O-N 2.87Å; W307-Y310 VanDerWaalsContact O-N 3.13Å; W307-A311 HydrophobicContact CE3-CB 3.87Å; W307-A311 HydrophobicContact CZ3-CB 3.82Å; W307-A311 PolarHBondContact O-N 2.98Å
308P75.3Confident70.6Confident1 Ų164 Ų641%0.00632%0.321CS..Hα-helixtrans-65.3-25.4-174.6-20.432.2000113.8V203 K306 Y310 A311 N312 V553 V556V203-P308 WeakPolarHBondContact O-CB 3.5Å; K306-P308 WeakPolarHBondContact O-CD 3.32Å; K306-P308 VanDerWaalsContact O-N 3.13Å; P308-Y310 VanDerWaalsContact C-N 3.32Å; P308-Y310 PolarHBondContact O-N 3.45Å; P308-A311 PolarHBondContact O-N 3.01Å; P308-N312 PolarHBondContact O-N 2.84Å; P308-V553 HydrophobicContact CG-CG2 3.58Å; P308-V556 HydrophobicContact CB-CG2 4.28Å; P308-V556 HydrophobicContact CG-CG2 4.27Å
309L73.4Confident72.3Confident42 Ų4258.2 Ų58.222%0.2230%0.296CS..Hα-helixtrans-60.5-40.5175.5-72.4148.6000112K204 T278 K306 W307 P552K204-L309 HydrophobicContact CD-CD2 4.34Å; T278-L309 HydrophobicContact CG2-CD2 3.95Å; K306-L309 HydrophobicContact CB-CD1 4.14Å; K306-L309 HydrophobicContact CG-CD1 4.28Å; K306-L309 WeakPolarHBondContact O-CB 3.17Å; K306-L309 PolarHBondContact O-N 2.54Å; W307-L309 PolarHBondContact O-N 3.09Å; L309-P552 HydrophobicContact CD1-CG 4.4Å
310Y75.4Confident74.1Confident80 Ų8053.1 Ų53.131%0.31427%0.268SS..Hα-helixtrans-83.9-26-179.8-51.8-83000112.6L280 K306 W307 P308 P313L280-Y310 HydrophobicContact CD2-CD1 3.76Å; L280-Y310 HydrophobicContact CD2-CE1 4.25Å; K306-Y310 HydrophobicContact CB-CE2 4.42Å; W307-Y310 PolarHBondContact O-N 2.87Å; W307-Y310 VanDerWaalsContact O-N 3.13Å; P308-Y310 VanDerWaalsContact C-N 3.32Å; P308-Y310 PolarHBondContact O-N 3.45Å; Y310-P313 WeakPolarHBondContact O-CD 3.25Å
311A79.6Confident75.5Confident16 Ų1650.1 Ų50.113%0.13225%0.248CC..Hα-helixtrans-71.8-35.4177.400000113V203 W307 P308 I314 V315V203-A311 HydrophobicContact CG1-CB 4.22Å; W307-A311 HydrophobicContact CE3-CB 3.87Å; W307-A311 HydrophobicContact CZ3-CB 3.82Å; W307-A311 PolarHBondContact O-N 2.98Å; P308-A311 PolarHBondContact O-N 3.01Å; A311-I314 PolarHBondContact O-N 2.66Å; A311-I314 VanDerWaalsContact O-N 3.08Å; A311-V315 HydrophobicContact CB-CG2 4.49Å; A311-V315 WeakPolarHBondContact O-CG2 3.35Å; A311-V315 PolarHBondContact O-N 2.87Å
312N85.1Confident76.7Confident3 Ų348.8 Ų48.82%0.01624%0.24CC..Hα-helixtrans-50.5-49.6-172.4-173.648.3000114.6V203 K204 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.13Å; K204-N312 HydrophobicContact CB-CB 4.39Å; N209-N312 PolarHBondContact ND2-OD1 2.94Å; P308-N312 PolarHBondContact O-N 2.84Å; N312-I314 VanDerWaalsContact C-N 3.34Å; N312-I314 PolarHBondContact O-N 3.24Å; N312-V315 PolarHBondContact O-N 2.88Å; N312-V316 WeakPolarHBondContact O-CG2 3.19Å; N312-V316 PolarHBondContact O-N 3.39Å
313P81.3Confident78.1Confident22 Ų2246.7 Ų46.714%0.14323%0.229CC..Hα-helixtrans-65.1-35.2179.4-17.531.4000113.3L280 Y310 L317L280-P313 HydrophobicContact CD1-CG 3.98Å; Y310-P313 WeakPolarHBondContact O-CD 3.25Å; P313-L317 WeakPolarHBondContact O-CB 3.48Å; P313-L317 PolarHBondContact O-N 3.38Å
314I84.2Confident79.5Confident109 Ų10942.4 Ų42.456%0.55921%0.207SC*.Hα-helixtrans-70.1-43.3179.7-57.2172.6000109.8A311 N312 L317 V318A311-I314 PolarHBondContact O-N 2.66Å; A311-I314 VanDerWaalsContact O-N 3.08Å; N312-I314 VanDerWaalsContact C-N 3.34Å; N312-I314 PolarHBondContact O-N 3.24Å; I314-L317 PolarHBondContact O-N 3.32Å; I314-V318 HydrophobicContact CG2-CG2 4.47Å; I314-V318 WeakPolarHBondContact O-CG2 3.49Å; I314-V318 PolarHBondContact O-N 3.39Å
315V86Confident80.3Confident12 Ų1239 Ų397%0.07320%0.196CC..Hα-helixtrans-64.3-41.7178.5172.50000111.2F196 Y199 V200 A311 N312 V318 F319F196-V315 HydrophobicContact CE1-CG1 4.01Å; F196-V315 HydrophobicContact CZ-CG1 4.47Å; Y199-V315 HydrophobicContact CD1-CG1 3.87Å; Y199-V315 HydrophobicContact CD1-CG2 4.37Å; Y199-V315 HydrophobicContact CE1-CG1 4.02Å; Y199-V315 HydrophobicContact CE1-CG2 3.67Å; V200-V315 HydrophobicContact CB-CG1 4.13Å; V200-V315 HydrophobicContact CG1-CG1 4.32Å; V200-V315 HydrophobicContact CG2-CG1 3.55Å; A311-V315 HydrophobicContact CB-CG2 4.49Å; A311-V315 WeakPolarHBondContact O-CG2 3.35Å; A311-V315 PolarHBondContact O-N 2.87Å; N312-V315 PolarHBondContact O-N 2.88Å; V315-V318 PolarHBondContact O-N 3.04Å; V315-F319 VanDerWaalsContact O-CB 3.31Å; V315-F319 WeakPolarHBondContact O-CB 3.31Å; V315-F319 PolarHBondContact O-N 2.98Å
316V87.6Confident81Confident0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-63.4-42.1173.61740000111.7V200 H248 F249 N312 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.07Å; H248-V316 HydrophobicContact CB-CG1 4.49Å; F249-V316 HydrophobicContact CB-CG1 4.26Å; N312-V316 WeakPolarHBondContact O-CG2 3.19Å; N312-V316 PolarHBondContact O-N 3.39Å; V316-F319 PolarHBondContact O-N 3.25Å; V316-F320 PolarHBondContact O-N 2.8Å
317L85.8Confident81.6Confident37 Ų3734.9 Ų34.919%0.19418%0.175CC..Hα-helixtrans-62.3-48.4176.1-172.682.2000111.8L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.18Å; L21-L317 HydrophobicContact CD1-CD2 4.18Å; F249-L317 HydrophobicContact CD2-CB 4.23Å; F249-L317 HydrophobicContact CD2-CD1 4.14Å; F249-L317 HydrophobicContact CE1-CD1 4.24Å; F249-L317 HydrophobicContact CE2-CB 4.08Å; F249-L317 HydrophobicContact CE2-CD1 3.82Å; F249-L317 HydrophobicContact CE2-CG 4.45Å; F249-L317 HydrophobicContact CG-CD1 4.49Å; F249-L317 HydrophobicContact CZ-CD1 3.88Å; P313-L317 WeakPolarHBondContact O-CB 3.48Å; P313-L317 PolarHBondContact O-N 3.38Å; I314-L317 PolarHBondContact O-N 3.32Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 2.98Å; L317-F320 WeakPolarHBondContact O-CB 3.49Å; L317-F320 PolarHBondContact O-N 2.76Å; L317-Y321 HydrophobicContact CD1-CD2 4.49Å; L317-Y321 HydrophobicContact CD1-CE2 4Å; L317-Y321 HydrophobicContact CG-CD2 4.14Å; L317-Y321 HydrophobicContact CG-CE2 4.03Å; L317-Y321 WeakPolarHBondContact O-CD2 3.28Å; L317-Y321 PolarHBondContact O-N 2.92Å
318V84.3Confident81.5Confident59 Ų5932 Ų3236%0.35817%0.165SC..Hα-helixtrans-62.4-40.1178.41710000110.9F196 I314 V315 F320 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.38Å; F196-V318 HydrophobicContact CE1-CG1 4.05Å; F196-V318 HydrophobicContact CE2-CG1 4.46Å; F196-V318 HydrophobicContact CZ-CB 4.24Å; F196-V318 HydrophobicContact CZ-CG1 3.66Å; I314-V318 HydrophobicContact CG2-CG2 4.47Å; I314-V318 WeakPolarHBondContact O-CG2 3.49Å; I314-V318 PolarHBondContact O-N 3.39Å; V315-V318 PolarHBondContact O-N 3.04Å; V318-F320 PolarHBondContact O-N 3.16Å; V318-Y321 PolarHBondContact O-N 3.2Å; V318-L322 HydrophobicContact CG1-CD1 3.82Å; V318-L322 HydrophobicContact CG1-CG 4.25Å; V318-L322 WeakPolarHBondContact O-CB 3.13Å; V318-L322 WeakPolarHBondContact O-CG 3.27Å; V318-L322 PolarHBondContact O-N 2.93Å
319F88.7Confident81.2Confident0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-61.8-40.5174179.6-106.6000112.5F196 T197 V200 Y212 L241 V315 V316 L317 T323F196-F319 HydrophobicContact CD1-CB 4.06Å; F196-F319 HydrophobicContact CD1-CD2 4.02Å; F196-F319 HydrophobicContact CE1-CB 4.09Å; T197-F319 HydrophobicContact CG2-CE2 4.47Å; T197-F319 HydrophobicContact CG2-CZ 4.41Å; V200-F319 HydrophobicContact CG2-CB 3.92Å; V200-F319 HydrophobicContact CG2-CD2 4.05Å; V200-F319 HydrophobicContact CG2-CG 3.99Å; Y212-F319 HydrophobicContact CD1-CE1 4.14Å; Y212-F319 HydrophobicContact CD1-CZ 4.47Å; Y212-F319 HydrophobicContact CE1-CD1 4.33Å; Y212-F319 AromaticContact CE1-CE1 3.84Å; Y212-F319 HydrophobicContact CE1-CE1 3.84Å; L241-F319 HydrophobicContact CB-CE1 4.09Å; L241-F319 HydrophobicContact CB-CZ 4.13Å; L241-F319 HydrophobicContact CD1-CZ 4.23Å; L241-F319 HydrophobicContact CD2-CE1 4.36Å; L241-F319 HydrophobicContact CD2-CZ 4.23Å; L241-F319 HydrophobicContact CG-CZ 4.44Å; V315-F319 VanDerWaalsContact O-CB 3.31Å; V315-F319 WeakPolarHBondContact O-CB 3.31Å; V315-F319 PolarHBondContact O-N 2.98Å; V316-F319 PolarHBondContact O-N 3.25Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 2.98Å; F319-T323 HydrophobicContact CD1-CG2 4.26Å; F319-T323 HydrophobicContact CD2-CG2 3.97Å; F319-T323 HydrophobicContact CE1-CG2 3.96Å; F319-T323 HydrophobicContact CE2-CG2 3.66Å; F319-T323 HydrophobicContact CG-CG2 4.27Å; F319-T323 HydrophobicContact CZ-CG2 3.67Å; F319-T323 WeakPolarHBondContact O-CB 3.36Å; F319-T323 VanDerWaalsContact O-CG2 3.28Å; F319-T323 WeakPolarHBondContact O-CG2 3.34Å; F319-T323 PolarHBondContact O-N 3.36Å; F319-T323 PolarHBondContact O-OG1 2.79Å
320F88.7Confident80.9Confident10 Ų1037.3 Ų37.34%0.04419%0.19CC..Hα-helixtrans-59.9-50.6172.7171.9-96.9000111.8L40 A43 I242 A246 V316 L317 V318 L322 T323 V324L40-F320 HydrophobicContact CB-CE1 4.48Å; L40-F320 HydrophobicContact CB-CZ 4.31Å; L40-F320 HydrophobicContact CD2-CD1 3.83Å; L40-F320 HydrophobicContact CD2-CE1 3.47Å; L40-F320 VanDerWaalsContact CD2-CE1 3.47Å; L40-F320 HydrophobicContact CD2-CE2 4.35Å; L40-F320 HydrophobicContact CD2-CG 4.41Å; L40-F320 HydrophobicContact CD2-CZ 3.76Å; A43-F320 HydrophobicContact CB-CE1 3.69Å; A43-F320 HydrophobicContact CB-CZ 4.24Å; I242-F320 HydrophobicContact CG2-CD2 4.26Å; I242-F320 HydrophobicContact CG2-CE2 3.96Å; A246-F320 HydrophobicContact CB-CD2 4.17Å; A246-F320 HydrophobicContact CB-CE2 3.94Å; V316-F320 PolarHBondContact O-N 2.8Å; L317-F320 WeakPolarHBondContact O-CB 3.49Å; L317-F320 PolarHBondContact O-N 2.76Å; V318-F320 PolarHBondContact O-N 3.16Å; F320-L322 PolarHBondContact O-N 3.33Å; F320-T323 PolarHBondContact O-N 2.97Å; F320-T323 PolarHBondContact O-OG1 3.19Å; F320-V324 HydrophobicContact CD2-CG2 4.14Å; F320-V324 HydrophobicContact CE1-CG2 4.35Å; F320-V324 HydrophobicContact CE2-CG2 3.86Å; F320-V324 HydrophobicContact CZ-CG2 3.97Å; F320-V324 WeakPolarHBondContact O-CB 3.43Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.31Å; F320-V324 PolarHBondContact O-N 2.92Å
321Y84Confident80.4Confident64 Ų6441 Ų4125%0.25120%0.203SC..Hα-helixtrans-63.4-41.3178.8-81.7-81.3000112.8A39 A43 L317 V318 A325A39-Y321 PolarHBondContact O-OH 2.82Å; A43-Y321 HydrophobicContact CB-CD1 3.98Å; A43-Y321 HydrophobicContact CB-CE1 3.57Å; L317-Y321 HydrophobicContact CD1-CD2 4.49Å; L317-Y321 HydrophobicContact CD1-CE2 4Å; L317-Y321 HydrophobicContact CG-CD2 4.14Å; L317-Y321 HydrophobicContact CG-CE2 4.03Å; L317-Y321 WeakPolarHBondContact O-CD2 3.28Å; L317-Y321 PolarHBondContact O-N 2.92Å; V318-Y321 PolarHBondContact O-N 3.2Å; Y321-A325 WeakPolarHBondContact O-CB 3.48Å; Y321-A325 PolarHBondContact O-N 3.21Å
322L81.4Confident79.4Confident66 Ų6643.7 Ų43.735%0.34622%0.215SC..Hα-helixtrans-64.1-49176.2-74.1174000111.9L193 F196 V318 F320 V324 A325 Q326L193-L322 HydrophobicContact CD1-CB 4.2Å; F196-L322 HydrophobicContact CD1-CD1 4.48Å; F196-L322 HydrophobicContact CD2-CD1 4.45Å; F196-L322 HydrophobicContact CE2-CD1 4.49Å; F196-L322 HydrophobicContact CG-CD1 4.43Å; V318-L322 HydrophobicContact CG1-CD1 3.82Å; V318-L322 HydrophobicContact CG1-CG 4.25Å; V318-L322 WeakPolarHBondContact O-CB 3.13Å; V318-L322 WeakPolarHBondContact O-CG 3.27Å; V318-L322 PolarHBondContact O-N 2.93Å; F320-L322 PolarHBondContact O-N 3.33Å; L322-V324 PolarHBondContact O-N 2.81Å; L322-A325 PolarHBondContact O-N 3.34Å; L322-Q326 VanDerWaalsContact O-CB 3.31Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 PolarHBondContact O-N 3.39Å
323T83.9Confident77.7Confident0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-63.6-40.5179.351.80000111.8L193 I242 F319 F320 Q326 Y327L193-T323 HydrophobicContact CD1-CG2 3.83Å; L193-T323 HydrophobicContact CD2-CG2 4.29Å; L193-T323 HydrophobicContact CG-CG2 4.33Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.39Å; F319-T323 HydrophobicContact CD1-CG2 4.26Å; F319-T323 HydrophobicContact CD2-CG2 3.97Å; F319-T323 HydrophobicContact CE1-CG2 3.96Å; F319-T323 HydrophobicContact CE2-CG2 3.66Å; F319-T323 HydrophobicContact CG-CG2 4.27Å; F319-T323 HydrophobicContact CZ-CG2 3.67Å; F319-T323 WeakPolarHBondContact O-CB 3.36Å; F319-T323 VanDerWaalsContact O-CG2 3.28Å; F319-T323 WeakPolarHBondContact O-CG2 3.34Å; F319-T323 PolarHBondContact O-N 3.36Å; F319-T323 PolarHBondContact O-OG1 2.79Å; F320-T323 PolarHBondContact O-N 2.97Å; F320-T323 PolarHBondContact O-OG1 3.19Å; T323-Q326 PolarHBondContact O-N 2.94Å; T323-Y327 VanDerWaalsContact O-CB 3.23Å; T323-Y327 WeakPolarHBondContact O-CB 3.25Å; T323-Y327 PolarHBondContact O-N 3.31Å
324V82.7Confident75.9Confident9 Ų947.8 Ų47.86%0.05525%0.249CC..Hα-helixtrans-65.5-42175.4171.20000112A43 I242 F320 L322 K328A43-V324 HydrophobicContact CB-CG1 4.33Å; A43-V324 VanDerWaalsContact O-CG1 3.25Å; A43-V324 WeakPolarHBondContact O-CG1 3.19Å; I242-V324 HydrophobicContact CD1-CG2 4.16Å; I242-V324 HydrophobicContact CG1-CG2 4.06Å; I242-V324 HydrophobicContact CG2-CG2 3.74Å; F320-V324 HydrophobicContact CD2-CG2 4.14Å; F320-V324 HydrophobicContact CE1-CG2 4.35Å; F320-V324 HydrophobicContact CE2-CG2 3.86Å; F320-V324 HydrophobicContact CZ-CG2 3.97Å; F320-V324 WeakPolarHBondContact O-CB 3.43Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.31Å; F320-V324 PolarHBondContact O-N 2.92Å; L322-V324 PolarHBondContact O-N 2.81Å; V324-K328 HydrophobicContact CG1-CD 4.49Å; V324-K328 WeakPolarHBondContact O-CG 3.31Å; V324-K328 PolarHBondContact O-N 3.43Å
325A75.3Confident73.7Confident41 Ų4152.8 Ų52.834%0.33926%0.261SS..Hα-helixtrans-63.3-45.1174.700000111.7Y321 L322 K328 F329Y321-A325 WeakPolarHBondContact O-CB 3.48Å; Y321-A325 PolarHBondContact O-N 3.21Å; L322-A325 PolarHBondContact O-N 3.34Å; A325-K328 PolarHBondContact O-N 3.44Å; A325-F329 HydrophobicContact CB-CE2 4.49Å; A325-F329 VanDerWaalsContact O-CD2 3.27Å; A325-F329 WeakPolarHBondContact O-CD2 3.34Å; A325-F329 WeakPolarHBondContact O-CG 3.38Å; A325-F329 PolarHBondContact O-N 3.12Å
326Q76.3Confident71.3Confident10 Ų1058 Ų585%0.04729%0.285CS..Hα-helixtrans-66.8-38.9179.6-145.5-76.6-21.100111.8N190 K238 L322 T323 F329 T330N190-Q326 PolarHBondContact OD1-NE2 3.28Å; K238-Q326 VanDerWaalsContact CE-OE1 3.29Å; L322-Q326 VanDerWaalsContact O-CB 3.31Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 PolarHBondContact O-N 3.39Å; T323-Q326 PolarHBondContact O-N 2.94Å; Q326-F329 PolarHBondContact O-N 3.3Å; Q326-T330 WeakPolarHBondContact O-CB 3.14Å; Q326-T330 PolarHBondContact O-N 2.93Å; Q326-T330 PolarHBondContact O-OG1 3.06Å
327Y80.2Confident68.9Low46 Ų4666 Ų6618%0.1832%0.316CS..Hα-helixtrans-62.6-39.5171.3174.5-115.4000112K239 I242 T323 T330 R331K239-Y327 VanDerWaalsContact CE-OH 3.22Å; K239-Y327 WeakPolarHBondContact CE-OH 3.29Å; K239-Y327 HydrophobicContact CG-CE2 4.25Å; I242-Y327 HydrophobicContact CD1-CD1 4.27Å; I242-Y327 HydrophobicContact CD1-CG 4.09Å; T323-Y327 VanDerWaalsContact O-CB 3.23Å; T323-Y327 WeakPolarHBondContact O-CB 3.25Å; T323-Y327 PolarHBondContact O-N 3.31Å; Y327-T330 WeakPolarHBondContact CA-OG1 3.41Å; Y327-T330 PolarHBondContact O-N 3Å; Y327-T330 PolarHBondContact O-OG1 3.28Å; Y327-R331 WeakPolarHBondContact O-CB 3.42Å; Y327-R331 PolarHBondContact O-N 3.13Å
328K72.5Confident66.6Low46 Ų4670.4 Ų70.420%0.234%0.338CS..Hα-helixtrans-67.1-43.2174.5-79.4177173.3179.90113A43 V44 L45 V324 A325 T330 R331 N332A43-K328 PolarHBondContact O-NZ 2.88Å; V44-K328 WeakPolarHBondContact O-CE 3.01Å; V44-K328 PolarHBondContact O-NZ 3.44Å; L45-K328 PolarHBondContact O-NZ 3.3Å; V324-K328 HydrophobicContact CG1-CD 4.49Å; V324-K328 WeakPolarHBondContact O-CG 3.31Å; V324-K328 PolarHBondContact O-N 3.43Å; A325-K328 PolarHBondContact O-N 3.44Å; K328-T330 VanDerWaalsContact C-N 3.33Å; K328-T330 PolarHBondContact O-N 3.27Å; K328-R331 PolarHBondContact O-N 2.86Å; K328-N332 WeakPolarHBondContact O-CB 3.5Å; K328-N332 PolarHBondContact O-N 3.26Å
329F68.8Low64.2Low117 Ų11774.5 Ų74.551%0.51336%0.358SS..Hα-helixtrans-62.4-41.3174.6-65.9-43.1000111.8A325 Q326 G333A325-F329 HydrophobicContact CB-CE2 4.49Å; A325-F329 VanDerWaalsContact O-CD2 3.27Å; A325-F329 WeakPolarHBondContact O-CD2 3.34Å; A325-F329 WeakPolarHBondContact O-CG 3.38Å; A325-F329 PolarHBondContact O-N 3.12Å; Q326-F329 PolarHBondContact O-N 3.3Å; F329-G333 PolarHBondContact O-N 2.62Å
330T66.7Low61.5Low36 Ų3682.4 Ų82.422%0.22140%0.401CS..Hα-helixtrans-79.2-16.9178.750.80000114.5N235 Q326 Y327 K328N235-T330 PolarHBondContact OD1-OG1 3.23Å; Q326-T330 WeakPolarHBondContact O-CB 3.14Å; Q326-T330 PolarHBondContact O-N 2.93Å; Q326-T330 PolarHBondContact O-OG1 3.06Å; Y327-T330 WeakPolarHBondContact CA-OG1 3.41Å; Y327-T330 PolarHBondContact O-N 3Å; Y327-T330 PolarHBondContact O-OG1 3.28Å; K328-T330 VanDerWaalsContact C-N 3.33Å; K328-T330 PolarHBondContact O-N 3.27Å
331R65.5Low58.7Low158 Ų15889.3 Ų89.360%0.59644%0.438SS*.Hα-helixtrans-86.3-40.5172.5176.2177.7170.8176-0.6113.4Y327 K328Y327-R331 WeakPolarHBondContact O-CB 3.42Å; Y327-R331 PolarHBondContact O-N 3.13Å; K328-R331 PolarHBondContact O-N 2.86Å
332N58.4Low56.1Low72 Ų7295.5 Ų95.539%0.38547%0.469SS..Hα-helixtrans-87.2-33.6-176.9-72.726.5000112.1K328 S334 R335K328-N332 WeakPolarHBondContact O-CB 3.5Å; K328-N332 PolarHBondContact O-N 3.26Å; N332-S334 PolarHBondContact O-N 2.87Å; N332-R335 PolarHBondContact O-N 3.27Å
333G50.6Low53.6Low29 Ų29103.6 Ų103.630%0.29950%0.497SS..THydrogen-bonded Turntrans-68.2-0.3-173.600000116.4F329 Y337F329-G333 PolarHBondContact O-N 2.62Å; G333-Y337 WeakPolarHBondContact O-CD2 3.25Å
334S42.4Very low50.9Low82 Ų82107.5 Ų107.557%0.57354%0.537SS*.THydrogen-bonded Turntrans-108.64.817971.10000114.4N332N332-S334 PolarHBondContact O-N 2.87Å
335R38.3Very low48.2Very low215 Ų215111.6 Ų111.681%0.81157%0.566SS**SBendtrans-126.1-2.3-177.2-161.6169.5177.7166.90.4114.2N332N332-R335 PolarHBondContact O-N 3.27Å
336E35.9Very low46.2Very low121 Ų121115 Ų11557%0.56559%0.587SS**SBendtrans-112.726.8171.1-73.5178.6134.700111.1R49R49-E336 IonicContact CZ-OE1 3.69Å; R49-E336 IonicContact CZ-OE2 3.56Å; R49-E336 IonicContact NH1-OE1 3.24Å; R49-E336 PolarHBondContact NH1-OE1 3.03Å; R49-E336 IonicContact NH2-OE1 3.99Å; R49-E336 PolarHBondContact NH2-OE1 3.06Å; R49-E336 IonicContact NH2-OE2 2.76Å; R49-E336 PolarHBondContact NH2-OE2 3.1Å
337Y36.2Very low44.1Very low169 Ų169119.3 Ų119.366%0.66361%0.614SS**SBendtrans-131.122.6-170.3-113.7-73000112.4G333G333-Y337 WeakPolarHBondContact O-CD2 3.25Å
338I37.6Very low41.7Very low128 Ų128124.6 Ų124.666%0.65664%0.64SS**SBendtrans-117.8-28.2-168.4-67.2175.2000113
339D34.7Very low39.9Very low145 Ų145129.7 Ų129.778%0.77567%0.665SS**SBendtrans-110.3-6.7-164.3-62.7-45.6000116.7
340D31.8Very low38.1Very low167 Ų167130.2 Ų130.289%0.89367%0.669SS**  trans-117.1128.4-177.1-86.1-52.5000113.4
341N29.7Very low36.2Very low154 Ų154137.7 Ų137.782%0.82469%0.693SS**  trans-87.3104.3-173.5-77.6-53.7000113.9
342E29.4Very low34.4Very low195 Ų195139.6 Ų139.691%0.91171%0.706SS**  trans-151.6127152.7-123.6-178.5-17200111.4
343Y27.8Very low33Very low236 Ų236141.9 Ų141.993%0.92572%0.722SS**  trans-78.1131.7-171.3-75.5-111.1000112.5
344G27.7Very low31.9Very low81 Ų81146.7 Ų146.784%0.83575%0.751SS**  trans169.911169.600000123.1
345S27.1Very low31.1Very low95 Ų95146.9 Ų146.966%0.66476%0.758SS**  trans-146.989.8-176.9172.70000115.7
346S32Very low30.5Very low112 Ų112139.5 Ų139.578%0.78375%0.748SS**  trans-87.1105.4177.545.20000114
347V32.9Very low30.2Very low102 Ų102140.3 Ų140.362%0.61876%0.762SS**SBendtrans-136.1-5.9168.2-173.90000113.1
348H30.2Very low29.7Very low157 Ų157137.8 Ų137.873%0.72776%0.763SS**  trans-132.9112176.3-79.31.9000110.5H231H231-H348 AromaticContact CD2-CE1 3.93Å; H231-H348 AromaticContact CD2-NE2 3.77Å; H231-H348 AromaticContact NE2-CE1 3.66Å; H231-H348 AromaticContact NE2-NE2 3.78Å
349E34Very low29.3Very low153 Ų153139.5 Ų139.572%0.71577%0.769SS**  trans-150.136.4-176.6-154.7-168.3168.500112.6
350E30.8Very low28.9Very low128 Ų128138 Ų13860%0.59877%0.765SS**SBendtrans-149.779.7176.6-44.8-166.6156.200112.9R593E350-R593 IonicContact OE1-CZ 2.68Å; E350-R593 IonicContact OE1-NH1 3.89Å; E350-R593 PolarHBondContact OE1-NH1 3.48Å; E350-R593 IonicContact OE1-NH2 2.61Å; E350-R593 PolarHBondContact OE1-NH2 3.46Å; E350-R593 VanDerWaalsContact OE1-NH2 3.1Å
351R28.2Very low28.9Very low192 Ų192135.6 Ų135.673%0.72575%0.752SS**SBendtrans-179.5-12.4139.4-107.2177.9177.985.85.1121.1
352F25.8Very low28.9Very low199 Ų199134.6 Ų134.687%0.87375%0.752SS**  trans-134.7143.5-175.4-64.5-80.5000109.5
353V29.2Very low29Very low119 Ų119130.5 Ų130.572%0.72174%0.736SS**  cis-133.9152.26.5176.70000110.3A355V353-A355 HydrophobicContact CG1-CB 3.86Å
354S29.1Very low29.1Very low131 Ų131126.2 Ų126.292%0.91673%0.729SS**  trans-116.397.5157.5-64.80000109.7
355A25.3Very low29.2Very low86 Ų86128.2 Ų128.271%0.71173%0.725SS**  trans-170.6164.9173.700000109V353V353-A355 HydrophobicContact CG1-CB 3.86Å
356G25Very low29.5Very low60 Ų60126.7 Ų126.762%0.61972%0.724SS**  trans-34.9139.7-169.800000119.2
357T29.6Very low29.3Very low137 Ų137128.4 Ų128.484%0.8472%0.719SS**  73.5152.460.164.10000114.2
358V25.7Very low28.9Very low116 Ų116131.4 Ų131.470%0.70373%0.731SS**  trans79.597178.3-171.90000113.2
359E28.8Very low28.8Very low164 Ų164129.6 Ų129.677%0.76673%0.725SS**  46.7147.5107.6-60.7165.7-179.500118.9
360T27.6Very low28.5Very low115 Ų115126.6 Ų126.671%0.70672%0.721SS**  cis-151.6171.15.6-5.60000111.8
361N31.6Very low28.2Very low116 Ų116127 Ų12762%0.6273%0.726SS**  trans-11.1144.8148.3-60.730.2000118.1D363N361-D363 WeakPolarHBondContact CB-OD2 3.26Å; N361-D363 PolarHBondContact ND2-OD2 2.91Å
362V29Very low28.1Very low133 Ų133121.9 Ų121.981%0.80672%0.72SS**  -169.7103.4112.6141.10000103.2
363D31.3Very low28.1Very low108 Ų108120 Ų12058%0.57871%0.714SS**  51.5116.676.7-54.7-43000108.1N361N361-D363 WeakPolarHBondContact CB-OD2 3.26Å; N361-D363 PolarHBondContact ND2-OD2 2.91Å
364D31.1Very low28Very low146 Ų146119.1 Ų119.178%0.78171%0.713SS**  -173.416863.7-142.3-29.3000110.4
365V28.9Very low28.1Very low124 Ų124118.9 Ų118.975%0.75271%0.706SS**  trans59.9131.2159.31780000117
366G32.6Very low28.3Very low62 Ų62118.9 Ų118.964%0.63971%0.706SS**  cis102.115125.600000110.2
367Q28.1Very low28.8Very low149 Ų149122 Ų12270%0.69672%0.719SS**  cis-142157.1-8.6-65.2172.2-72.200108.3S370Q367-S370 PolarHBondContact NE2-OG 3.23Å; Q367-S370 VanDerWaalsContact NE2-OG 3.13Å
368L26Very low29.2Very low164 Ų164119.8 Ų119.886%0.85971%0.714SS**SBendtrans-134.993.2130.3-155148.9000108.4
369I26.5Very low30.1Very low119 Ų119119.4 Ų119.461%0.6171%0.714SS**  trans65.777.3170.3-53.1175.9000113.9I371I369-I371 HydrophobicContact CG2-CB 3.8Å; I369-I371 HydrophobicContact CG2-CD1 3.86Å; I369-I371 HydrophobicContact CG2-CG1 3.8Å
370S28.2Very low30Very low90 Ų90116.8 Ų116.863%0.62971%0.714SS**  -75.8116.7124.644.90000107.9Q367Q367-S370 PolarHBondContact NE2-OG 3.23Å; Q367-S370 VanDerWaalsContact NE2-OG 3.13Å
371I25.7Very low30.4Very low136 Ų136114.1 Ų114.170%0.69771%0.709SS**  trans-123161.4163-87.3174.5000107.4I369I369-I371 HydrophobicContact CG2-CB 3.8Å; I369-I371 HydrophobicContact CG2-CD1 3.86Å; I369-I371 HydrophobicContact CG2-CG1 3.8Å
372S24.3Very low30.3Very low85 Ų85116.6 Ų116.659%0.59471%0.71SS**  trans-59.2173-176.275.10000114.3
373E25.9Very low30.2Very low160 Ų160114.2 Ų114.275%0.74871%0.713SS**  cis-164.6167.87.4-139.3147.2157.800110.4
374S27.9Very low29.9Very low101 Ų101118.2 Ų118.271%0.70672%0.72SS**  trans66.3156.4147.973.10000121.6
375T31.6Very low29.5Very low126 Ų126114 Ų11477%0.77371%0.71SS**  trans41109.7158.448.70000119.3
376A29.2Very low29.3Very low86 Ų86115.2 Ų115.271%0.71171%0.712SS**  72.6129.753.100000115.4
377S35.8Very low29.1Very low126 Ų126118 Ų11888%0.88172%0.717SS**  trans61.7139.1-179.374.80000115.3
378A38.6Very low29.3Very low90 Ų90117.9 Ų117.974%0.74472%0.721SS**SBendcis-152.3154.1-10.700000106.6
379P43.4Very low30.1Very low108 Ų108116.9 Ų116.970%0.70172%0.716SS**  cis-137.9131.335.136.5-16.5000116.6G381P379-G381 PolarHBondContact O-N 2.9Å
380S27.7Very low31Very low109 Ų109118.7 Ų118.776%0.76273%0.725SS**  trans-75.254.7148.651.70000110.8R382S380-R382 WeakPolarHBondContact O-CB 3.43Å; S380-R382 WeakPolarHBondContact O-CD 3.31Å
381G35.7Very low31.6Very low59 Ų59119.2 Ų119.261%0.60873%0.729SS**  trans-140.653.6-17100000111.7P379P379-G381 PolarHBondContact O-N 2.9Å
382R28.8Very low32.2Very low167 Ų167119.8 Ų119.863%0.6373%0.733SS**  72.164.161.9-88-172.7154.6178.8-1115.3S380 R384S380-R382 WeakPolarHBondContact O-CB 3.43Å; S380-R382 WeakPolarHBondContact O-CD 3.31Å; R382-R384 VanDerWaalsContact C-CB 3.48Å; R382-R384 HydrophobicContact CB-CB 3.77Å; R382-R384 HydrophobicContact CB-CG 4.36Å; R382-R384 HydrophobicContact CG-CB 3.96Å; R382-R384 HydrophobicContact CG-CG 4.25Å; R382-R384 WeakPolarHBondContact O-CB 3.43Å
383G28Very low32.7Very low84 Ų84119.5 Ų119.587%0.86674%0.736SS**  -98.296115.700000107.6
384R24.3Very low33.1Very low192 Ų192116.6 Ų116.673%0.72573%0.734SS**  cis63.114129.1-155.5-170.8-171169.70.1112.7R382R382-R384 VanDerWaalsContact C-CB 3.48Å; R382-R384 HydrophobicContact CB-CB 3.77Å; R382-R384 HydrophobicContact CB-CG 4.36Å; R382-R384 HydrophobicContact CG-CB 3.96Å; R382-R384 HydrophobicContact CG-CG 4.25Å; R382-R384 WeakPolarHBondContact O-CB 3.43Å
385G23.3Very low33.2Very low56 Ų56117.2 Ų117.258%0.57774%0.738SS**  trans108.2134.3178.900000110.3
386N24.3Very low33.1Very low150 Ų150116.2 Ų116.280%0.80274%0.736SS**  cis59.7107.926.2-43.712.5000112.5
387T27.1Very low33.2Very low120 Ų120116.4 Ų116.474%0.73674%0.738SS**  45.3131128.562.50000121
388L34.2Very low32.9Very low147 Ų147116.6 Ų116.677%0.7773%0.729SS**  trans81.4122.3146.6-63.3156000119.9
389L42.7Very low32.7Very low144 Ų144119 Ų11975%0.75473%0.729SS**  trans68.4123.4135.7-56.5169.8000123.2
390L44.1Very low32.3Very low156 Ų156120.7 Ų120.782%0.81773%0.732SS**  trans69.4176.6141.7-86.683.8000122.6
391S41Very low32.6Very low101 Ų101123 Ų12371%0.70673%0.731SS**  trans-55.2170-174.550.40000117
392N37.8Very low32.4Very low148 Ų148127.5 Ų127.579%0.79174%0.736SS**  -179.1168.254.5-163.314.9000113.5
393A36.4Very low32.5Very low79 Ų79123.3 Ų123.365%0.65375%0.745SS**  trans41.5156.9150.300000123.3
394S32.6Very low32.5Very low99 Ų99130.8 Ų130.869%0.69275%0.747SS**  cis-175.4155.6-17.851.80000112
395S30.1Very low32.8Very low114 Ų114125.7 Ų125.780%0.79775%0.746SS**  trans62.3150.4162.240.80000119.5
396S29.4Very low33Very low106 Ų106133.7 Ų133.774%0.74176%0.759SS**  cis-165158-1.247.20000112.5
397A31.1Very low33.2Very low89 Ų89131 Ų13174%0.73675%0.752SS**  trans65.1139.9158.400000118.4
398N30.1Very low33.3Very low130 Ų130135.9 Ų135.970%0.69576%0.757SS**  cis-148.6156.56.3-133.845.8000112.3
399D35.2Very low33.2Very low141 Ų141133.5 Ų133.575%0.75475%0.752SS**  trans65.8135.3160.5-45.2-38.5000119.6
400D34Very low33.1Very low143 Ų143131.5 Ų131.577%0.76575%0.748SS**  -132-135-100.2-15645.5000107.9Q402D400-Q402 PolarHBondContact OD2-N 3.44Å
401E33.8Very low32.4Very low157 Ų157131.2 Ų131.273%0.73475%0.746SS**  cis-131.5135.86.5-151-168.4175.600113.5
402Q32.7Very low31.8Very low155 Ų155136 Ų13672%0.72475%0.749SS**  trans18.6132.5151-62.216657.700122.5D400D400-Q402 PolarHBondContact OD2-N 3.44Å
403G31.1Very low31.4Very low79 Ų79135.8 Ų135.881%0.81475%0.748SS**  trans125.1124.7140.100000118.9
404R28Very low31.1Very low241 Ų241135.5 Ų135.591%0.90975%0.752SS**  -179.5141.3-53.5176.5177-173.4158.52.9108.5
405A29.5Very low30.9Very low84 Ų84140 Ų14069%0.69476%0.762SS**  trans78.3151.116800000117
406R28.8Very low30.7Very low225 Ų225143.3 Ų143.385%0.84977%0.765SS**  cis-167.7143.9-3.5-134.5173.4-165.9160.10.9113.7
407S28.1Very low30.6Very low94 Ų94148.1 Ų148.166%0.65778%0.776SS**  trans54.2156.4143.7510000121.4
408R27.9Very low30.3Very low222 Ų222146.2 Ų146.284%0.83877%0.765SS**  cis-166.8139.3-7.9-101.1163.1177.1170.7-4.4103.4
409S33.3Very low30.2Very low97 Ų97145.4 Ų145.468%0.67877%0.77SS**  61.3155.752.386.80000114.3
410P40.1Very low29.7Very low101 Ų101146.4 Ų146.466%0.65677%0.773SS**  cis-137.7-149-13.528.5-1.9000112
411L29.7Very low29.6Very low150 Ų150144.3 Ų144.379%0.78577%0.768SS**  trans80.5147.9160.1-60.6159.5000116.7
412R28.5Very low29.6Very low201 Ų201142.2 Ų142.276%0.75876%0.761SS**  cis-168.7148.8-12.1163.7174.1166.9-178.6-5.8110.2
413N28.7Very low30Very low144 Ų144146.1 Ų146.177%0.7777%0.769SS**  trans34.8113.8164.2-57.86.4000118.9
414G31.4Very low30.4Very low73 Ų73148.1 Ų148.175%0.75376%0.755SS**  trans-164.672.2173.600000113.3
415E27.3Very low31.2Very low193 Ų193139.1 Ų139.190%0.90273%0.727SS**  trans54.3148.5151.7-72170.2147.200123.2
416E25.5Very low32.2Very low184 Ų184137.6 Ų137.686%0.8671%0.709SS**  trans58.2121.1164.8-63.8-164.9164.300122.2G418E416-G418 PolarHBondContact O-N 3.46Å
417Q27.7Very low33.7Very low208 Ų208127 Ų12797%0.97267%0.67SS**  trans-68.355.1158.5-62.5166-2800111.2S419Q417-S419 PolarHBondContact O-N 3.27Å
418G25.8Very low35.1Very low48 Ų48125.7 Ų125.750%0.49565%0.653SS.*  trans-65.2118.7175.400000110.7E416 I420E416-G418 PolarHBondContact O-N 3.46Å; G418-I420 VanDerWaalsContact C-N 3.26Å; G418-I420 PolarHBondContact O-N 3.17Å
419S26.3Very low36.6Very low114 Ų114118.4 Ų118.480%0.79763%0.633SS**  trans-70.180175.144.80000110.6Q417 P421Q417-S419 PolarHBondContact O-N 3.27Å; S419-P421 WeakPolarHBondContact O-CD 3.43Å
420I26.2Very low37.8Very low161 Ų161115.5 Ų115.583%0.82661%0.611SS**  trans-52.4107.1-175.2-53.6-178.6000108.9G418G418-I420 VanDerWaalsContact C-N 3.26Å; G418-I420 PolarHBondContact O-N 3.17Å
421P31.1Very low38.8Very low100 Ų100111.6 Ų111.665%0.64959%0.585SS**  trans-72.3141-160.125.6-34.1000110.5S419 R423S419-P421 WeakPolarHBondContact O-CD 3.43Å; P421-R423 WeakPolarHBondContact O-CA 3.33Å; P421-R423 PolarHBondContact O-N 3.42Å
422L34.2Very low40.3Very low113 Ų113111.4 Ų111.459%0.59257%0.574SS**  trans-50.9102.7172.6-89.3162.3000108.9K424L422-K424 PolarHBondContact O-N 3.36Å
423R39.8Very low41.7Very low236 Ų236104.7 Ų104.789%0.89155%0.553SS**  trans-53.1107-158-174.9-178.1-173.7-178.23.8110.3P421 V425P421-R423 WeakPolarHBondContact O-CA 3.33Å; P421-R423 PolarHBondContact O-N 3.42Å; R423-V425 PolarHBondContact O-N 3.13Å; R423-V425 VanDerWaalsContact O-N 3.11Å
424K40.3Very low43Very low122 Ų122102.5 Ų102.553%0.5354%0.536SS..  trans-20.3106.3-170-87.3-175.21721780111.9L422 T426 E583L422-K424 PolarHBondContact O-N 3.36Å; K424-T426 VanDerWaalsContact C-N 3.33Å; K424-T426 WeakPolarHBondContact O-CG2 3.43Å; K424-T426 PolarHBondContact O-N 2.69Å; K424-E583 IonicContact NZ-OE1 3.87Å; K424-E583 PolarHBondContact NZ-OE1 3.08Å
425V44.7Very low44.3Very low51 Ų51100.1 Ų100.131%0.30951%0.506SS..  trans-62.996.8175.5179.60000107.5R423 V429 V430R423-V425 PolarHBondContact O-N 3.13Å; R423-V425 VanDerWaalsContact O-N 3.11Å; V425-V429 HydrophobicContact CG1-CB 4.29Å; V425-V429 HydrophobicContact CG1-CG1 4.49Å; V425-V430 HydrophobicContact CG1-CG2 4.04Å
426T51.3Low45.8Very low52 Ų5292 Ų9232%0.31947%0.471SS..  trans-68.6152.3-173.365.80000110K424 Q428 V429K424-T426 VanDerWaalsContact C-N 3.33Å; K424-T426 WeakPolarHBondContact O-CG2 3.43Å; K424-T426 PolarHBondContact O-N 2.69Å; T426-Q428 PolarHBondContact O-N 3.45Å; T426-Q428 PolarHBondContact OG1-OE1 3Å; T426-V429 PolarHBondContact O-N 2.98Å
427S59Low47.3Very low4 Ų488.9 Ų88.93%0.02846%0.46CS..Hα-helixtrans-55.6-26.3179.664.20000112.7V429 V430 D431 R578S427-V429 PolarHBondContact O-N 3.48Å; S427-V430 PolarHBondContact O-N 2.63Å; S427-D431 WeakPolarHBondContact O-CB 3.34Å; S427-D431 VanDerWaalsContact O-CG 3.23Å; S427-D431 PolarHBondContact O-N 3.03Å; S427-R578 PolarHBondContact OG-NH2 3.11Å
428Q58.8Low48.5Very low66 Ų6684.5 Ų84.531%0.30844%0.442SS..Hα-helixtrans-56.1-41.1172-56.3165.9-59.800113.6T426 R432 F464T426-Q428 PolarHBondContact O-N 3.45Å; T426-Q428 PolarHBondContact OG1-OE1 3Å; Q428-R432 WeakPolarHBondContact O-CB 3.37Å; Q428-R432 PolarHBondContact O-N 3.22Å; Q428-F464 VanDerWaalsContact NE2-CD2 3.33Å
429V58.1Low49.9Very low68 Ų6885.5 Ų85.541%0.41243%0.433SS..Hα-helixtrans-70.5-41.4-178.7-178.30000110.3V425 T426 S427 R432 N433V425-V429 HydrophobicContact CG1-CB 4.29Å; V425-V429 HydrophobicContact CG1-CG1 4.49Å; T426-V429 PolarHBondContact O-N 2.98Å; S427-V429 PolarHBondContact O-N 3.48Å; V429-R432 PolarHBondContact O-N 3.22Å; V429-N433 PolarHBondContact O-N 3.49Å
430V59.9Low51.1Low37 Ų3783.4 Ų83.422%0.22441%0.413CS..Hα-helixtrans-69-40.9177.6-173.50000111V425 S427 N433 K434 Y582V425-V430 HydrophobicContact CG1-CG2 4.04Å; S427-V430 PolarHBondContact O-N 2.63Å; V430-N433 PolarHBondContact O-N 2.8Å; V430-K434 PolarHBondContact O-N 3.01Å; V430-Y582 HydrophobicContact CB-CE1 4.48Å; V430-Y582 HydrophobicContact CG1-CE1 4.21Å; V430-Y582 HydrophobicContact CG2-CE1 4.18Å
431D59.4Low52Low19 Ų1982 Ų8210%0.10241%0.412CS..Hα-helixtrans-59.6-48.1173-77.5-17.7000111.3S427 N433 K434 L435 R578S427-D431 WeakPolarHBondContact O-CB 3.34Å; S427-D431 VanDerWaalsContact O-CG 3.23Å; S427-D431 PolarHBondContact O-N 3.03Å; D431-N433 VanDerWaalsContact C-N 3.25Å; D431-N433 PolarHBondContact O-N 3.35Å; D431-K434 PolarHBondContact O-N 2.8Å; D431-K434 VanDerWaalsContact O-N 3.13Å; D431-L435 WeakPolarHBondContact O-CB 3.35Å; D431-L435 VanDerWaalsContact O-CG 3.26Å; D431-L435 WeakPolarHBondContact O-CG 3.33Å; D431-L435 PolarHBondContact O-N 2.74Å; D431-R578 IonicContact OD1-CZ 3.44Å; D431-R578 IonicContact OD1-NH1 2.73Å; D431-R578 PolarHBondContact OD1-NH1 3.44Å; D431-R578 IonicContact OD1-NH2 3.2Å; D431-R578 IonicContact OD2-CZ 3.57Å; D431-R578 IonicContact OD2-NH1 3.74Å; D431-R578 PolarHBondContact OD2-NH1 3.3Å; D431-R578 IonicContact OD2-NH2 2.74Å; D431-R578 PolarHBondContact OD2-NH2 3.43Å
432R61.3Low52.4Low146 Ų14682.6 Ų82.655%0.55141%0.414SS*.Hα-helixtrans-59.1-38.9-177.8-154.1-174.277.7140.87111.8Q428 V429 S436 I456Q428-R432 WeakPolarHBondContact O-CB 3.37Å; Q428-R432 PolarHBondContact O-N 3.22Å; V429-R432 PolarHBondContact O-N 3.22Å; R432-S436 PolarHBondContact O-N 3.48Å; R432-I456 HydrophobicContact CG-CG2 3.42Å; R432-I456 VanDerWaalsContact CG-CG2 3.42Å
433N59Low52.5Low59 Ų5980.7 Ų80.732%0.31642%0.415SS..Hα-helixtrans-78.4-29.6177.8-70.915.4000113V429 V430 D431 S436 N437V429-N433 PolarHBondContact O-N 3.49Å; V430-N433 PolarHBondContact O-N 2.8Å; D431-N433 VanDerWaalsContact C-N 3.25Å; D431-N433 PolarHBondContact O-N 3.35Å; N433-S436 WeakPolarHBondContact CA-OG 3.38Å; N433-S436 PolarHBondContact O-OG 3.41Å; N433-N437 PolarHBondContact O-N 3.07Å; N433-N437 PolarHBondContact O-OD1 3.2Å
434K56.6Low52.2Low99 Ų9976.4 Ų76.443%0.4342%0.417SS..Hα-helixtrans-69-40.6169-79.4-174.5173.4-177.50111.7V430 D431 N437 I438V430-K434 PolarHBondContact O-N 3.01Å; D431-K434 PolarHBondContact O-N 2.8Å; D431-K434 VanDerWaalsContact O-N 3.13Å; K434-N437 PolarHBondContact O-N 2.76Å; K434-I438 WeakPolarHBondContact O-CD1 3.41Å; K434-I438 VanDerWaalsContact O-CG1 3.28Å; K434-I438 WeakPolarHBondContact O-CG1 3.38Å; K434-I438 PolarHBondContact O-N 3.06Å
435L57.7Low52.3Low23 Ų2374.1 Ų74.112%0.1243%0.428CS..Hα-helixtrans-65.2-41.5175.3-70.2163.3000111.1D431 N437 I438 F439 I456 M459D431-L435 WeakPolarHBondContact O-CB 3.35Å; D431-L435 VanDerWaalsContact O-CG 3.26Å; D431-L435 WeakPolarHBondContact O-CG 3.33Å; D431-L435 PolarHBondContact O-N 2.74Å; L435-N437 VanDerWaalsContact C-N 3.31Å; L435-N437 PolarHBondContact O-N 3.46Å; L435-I438 PolarHBondContact O-N 3.01Å; L435-F439 HydrophobicContact CB-CD2 4.49Å; L435-F439 HydrophobicContact CD2-CE2 3.98Å; L435-F439 WeakPolarHBondContact O-CD2 3.43Å; L435-F439 PolarHBondContact O-N 3.08Å; L435-I456 HydrophobicContact CB-CG1 4.21Å; L435-M459 HydrophobicContact CD1-CB 3.76Å; L435-M459 HydrophobicContact CD2-CB 4.21Å; L435-M459 HydrophobicContact CD2-CG 4.22Å
436S59.2Low52Low23 Ų2378.4 Ų78.416%0.16145%0.45CS..Hα-helixtrans-60.6-40173.7630000112.3R432 N433 I438 F439 N440R432-S436 PolarHBondContact O-N 3.48Å; N433-S436 WeakPolarHBondContact CA-OG 3.38Å; N433-S436 PolarHBondContact O-OG 3.41Å; S436-I438 VanDerWaalsContact C-N 3.29Å; S436-I438 PolarHBondContact O-N 2.93Å; S436-F439 PolarHBondContact O-N 3.25Å; S436-N440 VanDerWaalsContact O-CB 3.23Å; S436-N440 WeakPolarHBondContact O-CB 3.4Å; S436-N440 PolarHBondContact O-N 3.23Å
437N56.8Low51.4Low118 Ų11885.7 Ų85.763%0.63148%0.477SS*.Hα-helixtrans-75.5-17178.9-67.312.8000113.5N433 K434 L435N433-N437 PolarHBondContact O-N 3.07Å; N433-N437 PolarHBondContact O-OD1 3.2Å; K434-N437 PolarHBondContact O-N 2.76Å; L435-N437 VanDerWaalsContact C-N 3.31Å; L435-N437 PolarHBondContact O-N 3.46Å
438I54Low50.7Low115 Ų11590.8 Ų90.859%0.5950%0.5SS*.Hα-helixtrans-82.7-30.1171-70.8163.8000111.2K434 L435 S436K434-I438 WeakPolarHBondContact O-CD1 3.41Å; K434-I438 VanDerWaalsContact O-CG1 3.28Å; K434-I438 WeakPolarHBondContact O-CG1 3.38Å; K434-I438 PolarHBondContact O-N 3.06Å; L435-I438 PolarHBondContact O-N 3.01Å; S436-I438 VanDerWaalsContact C-N 3.29Å; S436-I438 PolarHBondContact O-N 2.93Å
439F54.3Low50.3Low69 Ų6991.1 Ų91.130%0.30351%0.509SS..Hα-helixtrans-104.9-3.9-177-63.4-56.8000115.3L435 S436 M455 I456L435-F439 HydrophobicContact CB-CD2 4.49Å; L435-F439 HydrophobicContact CD2-CE2 3.98Å; L435-F439 WeakPolarHBondContact O-CD2 3.43Å; L435-F439 PolarHBondContact O-N 3.08Å; S436-F439 PolarHBondContact O-N 3.25Å; F439-M455 HydrophobicContact CD1-CE 4Å; F439-M455 HydrophobicContact CE1-CE 3.46Å; F439-M455 VanDerWaalsContact CE1-CE 3.46Å; F439-M455 HydrophobicContact CE2-CE 4.21Å; F439-M455 HydrophobicContact CZ-CE 3.58Å; F439-I456 HydrophobicContact CD2-CG1 4.21Å
440N50.8Low49.7Very low70 Ų7091.9 Ų91.937%0.37452%0.523SS..  trans-102.3101.6168.4-73.7-10000110.2S436S436-N440 VanDerWaalsContact O-CB 3.23Å; S436-N440 WeakPolarHBondContact O-CB 3.4Å; S436-N440 PolarHBondContact O-N 3.23Å
441T45.4Very low48.9Very low132 Ų13293.2 Ų93.281%0.8154%0.538SS*.  trans-120.124.7173.955.10000112.6
442T39.3Very low48.5Very low113 Ų11393 Ų9369%0.69354%0.538SS*.SBendtrans-118.5154.8177.7470000110.9
443A37.7Very low48.1Very low73 Ų7390.1 Ų90.160%0.60353%0.53SS*.  trans-60.4153.1-168.900000114.3G445A443-G445 PolarHBondContact O-N 3.32Å
444P32.1Very low47.9Very low146 Ų14688.9 Ų88.995%0.94853%0.531SS*.THydrogen-bonded Turntrans-67.899.4179.428.3-35.1000111.4
445G43.4Very low47.7Very low74 Ų7488.5 Ų88.576%0.76353%0.532SS*.THydrogen-bonded Turntrans164.3-34.5176.100000113.6A443A443-G445 PolarHBondContact O-N 3.32Å
446D37.6Very low47.7Very low141 Ų14188.2 Ų88.275%0.75453%0.53SS*.SBendtrans-85.3148.3-176-86.4-50.3000114.3
447K39.2Very low47.7Very low205 Ų20590 Ų9089%0.89155%0.546SS*.PPolyproline II helixtrans-77.3130.6-165.5-64.6175.2-177.7174.50112.5S449K447-S449 PolarHBondContact O-N 3.48Å
448E45.3Very low47.8Very low111 Ų11188.8 Ų88.852%0.51954%0.543SS..PPolyproline II helixtrans-51.2120.7-179.4-58167.99500112.9K453E448-K453 HydrophobicContact CB-CD 4.28Å; E448-K453 WeakPolarHBondContact OE1-CE 3.39Å; E448-K453 IonicContact OE1-NZ 2.73Å; E448-K453 WeakPolarHBondContact OE2-CE 3.25Å; E448-K453 IonicContact OE2-NZ 3.61Å; E448-K453 PolarHBondContact OE2-NZ 3.25Å
449S50Low48.1Very low72 Ų7287.4 Ų87.450%0.50354%0.535SS..PPolyproline II helixtrans-62.7141.3177.8-1800000112.6K447 A451 S452 K453K447-S449 PolarHBondContact O-N 3.48Å; S449-A451 PolarHBondContact O-N 3Å; S449-A451 PolarHBondContact OG-N 3.27Å; S449-S452 PolarHBondContact O-N 3.08Å; S449-S452 PolarHBondContact O-OG 3.4Å; S449-S452 VanDerWaalsContact O-OG 3.06Å; S449-K453 PolarHBondContact O-N 3.03Å; S449-K453 VanDerWaalsContact O-N 3.17Å
450A44Very low48.5Very low85 Ų8585.5 Ų85.570%0.70253%0.529SS*.Hα-helixtrans-59.1-28.3173.400000112.4G454A450-G454 PolarHBondContact O-N 2.92Å
451A43.3Very low49.1Very low65 Ų6588.1 Ų88.154%0.53754%0.537SS..Hα-helixtrans-68.8-43177.400000112.6S449 G454 M455S449-A451 PolarHBondContact O-N 3Å; S449-A451 PolarHBondContact OG-N 3.27Å; A451-G454 PolarHBondContact O-N 3.49Å; A451-M455 PolarHBondContact O-N 3.27Å
452S51.5Low50Low15 Ų1585.3 Ų85.311%0.10552%0.52CS..Hα-helixtrans-70.1-40.2176.960.80000111.1S449 G454 M455 I456S449-S452 PolarHBondContact O-N 3.08Å; S449-S452 PolarHBondContact O-OG 3.4Å; S449-S452 VanDerWaalsContact O-OG 3.06Å; S452-G454 VanDerWaalsContact C-N 3.31Å; S452-G454 PolarHBondContact O-N 3.38Å; S452-M455 PolarHBondContact O-N 2.76Å; S452-I456 WeakPolarHBondContact O-CB 3.24Å; S452-I456 WeakPolarHBondContact O-CD1 3.11Å; S452-I456 WeakPolarHBondContact O-CG1 3.26Å; S452-I456 PolarHBondContact O-N 2.94Å
453K54.1Low51.3Low85 Ų8582.2 Ų82.237%0.3750%0.499SS..Hα-helixtrans-56.5-43169.9-78.7174169.8161.80112.4E448 S449 A457E448-K453 HydrophobicContact CB-CD 4.28Å; E448-K453 WeakPolarHBondContact OE1-CE 3.39Å; E448-K453 IonicContact OE1-NZ 2.73Å; E448-K453 WeakPolarHBondContact OE2-CE 3.25Å; E448-K453 IonicContact OE2-NZ 3.61Å; E448-K453 PolarHBondContact OE2-NZ 3.25Å; S449-K453 PolarHBondContact O-N 3.03Å; S449-K453 VanDerWaalsContact O-N 3.17Å; K453-A457 WeakPolarHBondContact O-CB 3.27Å; K453-A457 PolarHBondContact O-N 3.49Å
454G53.3Low52.9Low33 Ų3382.3 Ų82.334%0.3449%0.485SS..Hα-helixtrans-61.6-51.8174.200000112.7A450 A451 S452 I456 A457 V458A450-G454 PolarHBondContact O-N 2.92Å; A451-G454 PolarHBondContact O-N 3.49Å; S452-G454 VanDerWaalsContact C-N 3.31Å; S452-G454 PolarHBondContact O-N 3.38Å; G454-I456 VanDerWaalsContact C-N 3.35Å; G454-I456 PolarHBondContact O-N 2.93Å; G454-A457 PolarHBondContact O-N 2.93Å; G454-V458 WeakPolarHBondContact O-CG2 3.44Å; G454-V458 PolarHBondContact O-N 2.83Å
455M52.5Low54.8Low91 Ų9178.4 Ų78.445%0.44845%0.454SS..Hα-helixtrans-60.7-40.3177.9-76.4176.958.600113F439 A451 S452 V458 M459F439-M455 HydrophobicContact CD1-CE 4Å; F439-M455 HydrophobicContact CE1-CE 3.46Å; F439-M455 VanDerWaalsContact CE1-CE 3.46Å; F439-M455 HydrophobicContact CE2-CE 4.21Å; F439-M455 HydrophobicContact CZ-CE 3.58Å; A451-M455 PolarHBondContact O-N 3.27Å; S452-M455 PolarHBondContact O-N 2.76Å; M455-V458 PolarHBondContact O-N 3.44Å; M455-M459 VanDerWaalsContact O-CB 3.3Å; M455-M459 WeakPolarHBondContact O-CB 3.48Å; M455-M459 WeakPolarHBondContact O-CG 3.27Å; M455-M459 PolarHBondContact O-N 2.87Å
456I58.8Low56.3Low17 Ų1775.3 Ų75.39%0.08742%0.421CS..Hα-helixtrans-64.1-41.7176.3-68.8162.9000110.5R432 L435 F439 S452 G454 T460R432-I456 HydrophobicContact CG-CG2 3.42Å; R432-I456 VanDerWaalsContact CG-CG2 3.42Å; L435-I456 HydrophobicContact CB-CG1 4.21Å; F439-I456 HydrophobicContact CD2-CG1 4.21Å; S452-I456 WeakPolarHBondContact O-CB 3.24Å; S452-I456 WeakPolarHBondContact O-CD1 3.11Å; S452-I456 WeakPolarHBondContact O-CG1 3.26Å; S452-I456 PolarHBondContact O-N 2.94Å; G454-I456 VanDerWaalsContact C-N 3.35Å; G454-I456 PolarHBondContact O-N 2.93Å; I456-T460 WeakPolarHBondContact O-CB 3.41Å; I456-T460 PolarHBondContact O-N 2.79Å; I456-T460 PolarHBondContact O-OG1 2.67Å
457A58.3Low58.5Low61 Ų6170.4 Ų70.450%0.50439%0.392SS..Hα-helixtrans-65-46.1175.500000112.2K453 G454 T460 F461K453-A457 WeakPolarHBondContact O-CB 3.27Å; K453-A457 PolarHBondContact O-N 3.49Å; G454-A457 PolarHBondContact O-N 2.93Å; A457-T460 PolarHBondContact O-N 3.31Å; A457-F461 WeakPolarHBondContact O-CB 3.41Å; A457-F461 PolarHBondContact O-N 3.1Å
458V58.9Low60.3Low91 Ų9162.2 Ų62.255%0.55236%0.361SS*.Hα-helixtrans-63.5-46.9178.1171.70000111.4G454 M455 T460 F461 V462G454-V458 WeakPolarHBondContact O-CG2 3.44Å; G454-V458 PolarHBondContact O-N 2.83Å; M455-V458 PolarHBondContact O-N 3.44Å; V458-T460 VanDerWaalsContact C-N 3.33Å; V458-T460 PolarHBondContact O-N 3Å; V458-F461 PolarHBondContact O-N 3.09Å; V458-V462 HydrophobicContact CG1-CG2 4.32Å; V458-V462 WeakPolarHBondContact O-CG2 3.45Å; V458-V462 PolarHBondContact O-N 3.09Å
459M60.2Low62Low86 Ų8660.8 Ų60.842%0.42436%0.356SS..Hα-helixtrans-57.7-44.9174.4-79.4-78.4179.300111.6L435 M455 F461 V462 I463L435-M459 HydrophobicContact CD1-CB 3.76Å; L435-M459 HydrophobicContact CD2-CB 4.21Å; L435-M459 HydrophobicContact CD2-CG 4.22Å; M455-M459 VanDerWaalsContact O-CB 3.3Å; M455-M459 WeakPolarHBondContact O-CB 3.48Å; M455-M459 WeakPolarHBondContact O-CG 3.27Å; M455-M459 PolarHBondContact O-N 2.87Å; M459-F461 VanDerWaalsContact C-N 3.34Å; M459-F461 PolarHBondContact O-N 2.7Å; M459-V462 PolarHBondContact O-N 2.85Å; M459-I463 WeakPolarHBondContact O-CB 3.41Å; M459-I463 WeakPolarHBondContact O-CD1 3.36Å; M459-I463 WeakPolarHBondContact O-CG1 3.46Å; M459-I463 PolarHBondContact O-N 3.47Å
460T63Low63.5Low30 Ų3057.5 Ų57.518%0.18433%0.333CS..Hα-helixtrans-64.6-39178.2-53.10000111.7I456 A457 V458 F464I456-T460 WeakPolarHBondContact O-CB 3.41Å; I456-T460 PolarHBondContact O-N 2.79Å; I456-T460 PolarHBondContact O-OG1 2.67Å; A457-T460 PolarHBondContact O-N 3.31Å; V458-T460 VanDerWaalsContact C-N 3.33Å; V458-T460 PolarHBondContact O-N 3Å; T460-F464 WeakPolarHBondContact O-CB 3.46Å; T460-F464 PolarHBondContact O-N 3.03Å; T460-F464 VanDerWaalsContact O-N 3.07Å
461F64Low65.5Low125 Ų12553.6 Ų53.655%0.54830%0.3SS..Hα-helixtrans-66-47.5176.2-180-92.8000112.1A457 V458 M459 I463 F464 H465A457-F461 WeakPolarHBondContact O-CB 3.41Å; A457-F461 PolarHBondContact O-N 3.1Å; V458-F461 PolarHBondContact O-N 3.09Å; M459-F461 VanDerWaalsContact C-N 3.34Å; M459-F461 PolarHBondContact O-N 2.7Å; F461-I463 PolarHBondContact O-N 3.36Å; F461-F464 PolarHBondContact O-N 2.84Å; F461-F464 VanDerWaalsContact O-N 3.13Å; F461-H465 AromaticContact CD2-CD2 3.63Å; F461-H465 AromaticContact CD2-NE2 3.92Å; F461-H465 AromaticContact CE1-CD2 3.96Å; F461-H465 AromaticContact CE2-CD2 3.35Å; F461-H465 WeakPolarHBondContact CE2-CD2 3.43Å; F461-H465 AromaticContact CE2-NE2 3.35Å; F461-H465 WeakPolarHBondContact CE2-NE2 3.36Å; F461-H465 AromaticContact CZ-CD2 3.53Å; F461-H465 AromaticContact CZ-NE2 3.77Å; F461-H465 PolarHBondContact O-CD2 2.86Å; F461-H465 PolarHBondContact O-N 2.95Å
462V63.7Low67.2Low72 Ų7253.8 Ų53.844%0.43630%0.295SS..Hα-helixtrans-61.6-43177.11710000111.1V458 M459 F464 H465 S466V458-V462 HydrophobicContact CG1-CG2 4.32Å; V458-V462 WeakPolarHBondContact O-CG2 3.45Å; V458-V462 PolarHBondContact O-N 3.09Å; M459-V462 PolarHBondContact O-N 2.85Å; V462-F464 VanDerWaalsContact C-N 3.29Å; V462-F464 PolarHBondContact O-N 3.31Å; V462-H465 PolarHBondContact O-N 2.9Å; V462-S466 WeakPolarHBondContact O-CA 3.14Å; V462-S466 WeakPolarHBondContact O-CB 3.41Å; V462-S466 PolarHBondContact O-N 3.26Å
463I67.3Low68.7Low49 Ų4953.5 Ų53.525%0.25129%0.293SS..Hα-helixtrans-61-39174.8-69.9165.3000111.1M459 F461 S466 L575M459-I463 WeakPolarHBondContact O-CB 3.41Å; M459-I463 WeakPolarHBondContact O-CD1 3.36Å; M459-I463 WeakPolarHBondContact O-CG1 3.46Å; M459-I463 PolarHBondContact O-N 3.47Å; F461-I463 PolarHBondContact O-N 3.36Å; I463-S466 WeakPolarHBondContact O-CB 3.25Å; I463-S466 PolarHBondContact O-OG 3.32Å; I463-L575 HydrophobicContact CG2-CD2 4.22Å
464F71.5Confident70.2Confident74 Ų7449.7 Ų49.733%0.32528%0.277SS..Hα-helixtrans-72.8-40.5179.6-172.1-110000113.7Q428 T460 F461 V462 Y467Q428-F464 VanDerWaalsContact NE2-CD2 3.33Å; T460-F464 WeakPolarHBondContact O-CB 3.46Å; T460-F464 PolarHBondContact O-N 3.03Å; T460-F464 VanDerWaalsContact O-N 3.07Å; F461-F464 PolarHBondContact O-N 2.84Å; F461-F464 VanDerWaalsContact O-N 3.13Å; V462-F464 VanDerWaalsContact C-N 3.29Å; V462-F464 PolarHBondContact O-N 3.31Å; F464-Y467 WeakPolarHBondContact O-CD1 3.45Å
465H71.8Confident71.5Confident64 Ų6449.5 Ų49.530%0.29627%0.268SS..Hα-helixtrans-87.7-5.9180-76-87.5000114.4F461 V462 Y467 S468F461-H465 AromaticContact CD2-CD2 3.63Å; F461-H465 AromaticContact CD2-NE2 3.92Å; F461-H465 AromaticContact CE1-CD2 3.96Å; F461-H465 AromaticContact CE2-CD2 3.35Å; F461-H465 WeakPolarHBondContact CE2-CD2 3.43Å; F461-H465 AromaticContact CE2-NE2 3.35Å; F461-H465 WeakPolarHBondContact CE2-NE2 3.36Å; F461-H465 AromaticContact CZ-CD2 3.53Å; F461-H465 AromaticContact CZ-NE2 3.77Å; F461-H465 PolarHBondContact O-CD2 2.86Å; F461-H465 PolarHBondContact O-N 2.95Å; V462-H465 PolarHBondContact O-N 2.9Å; H465-Y467 PolarHBondContact O-N 3.18Å; H465-S468 WeakPolarHBondContact O-CB 3.38Å; H465-S468 PolarHBondContact O-N 3.14Å; H465-S468 PolarHBondContact O-OG 2.84Å
466S75.4Confident72.8Confident9 Ų947.5 Ų47.56%0.06326%0.261CS..Hα-helixtrans-43.9-34.4178.757.40000115.8V462 I463 S468 I469 A470 L575V462-S466 WeakPolarHBondContact O-CA 3.14Å; V462-S466 WeakPolarHBondContact O-CB 3.41Å; V462-S466 PolarHBondContact O-N 3.26Å; I463-S466 WeakPolarHBondContact O-CB 3.25Å; I463-S466 PolarHBondContact O-OG 3.32Å; S466-S468 PolarHBondContact O-N 3.47Å; S466-I469 WeakPolarHBondContact O-CB 3.38Å; S466-I469 PolarHBondContact O-N 3.44Å; S466-I469 VanDerWaalsContact O-N 3.11Å; S466-A470 PolarHBondContact O-N 3.36Å; S466-L575 WeakPolarHBondContact OG-CD1 3.18Å
467Y82.5Confident74.1Confident38 Ų3847.3 Ų47.315%0.14926%0.259CS..Hα-helixtrans-60-32.5177.277.9-87.4000112.8F464 H465 I469 A470 L471 T502 R503F464-Y467 WeakPolarHBondContact O-CD1 3.45Å; H465-Y467 PolarHBondContact O-N 3.18Å; Y467-I469 VanDerWaalsContact C-N 3.33Å; Y467-A470 PolarHBondContact O-N 2.92Å; Y467-L471 HydrophobicContact CD2-CD1 4.09Å; Y467-L471 HydrophobicContact CE2-CD1 4.3Å; Y467-L471 WeakPolarHBondContact O-CG 3.46Å; Y467-L471 PolarHBondContact O-N 3.17Å; Y467-T502 VanDerWaalsContact CE2-OG1 3.25Å; Y467-T502 WeakPolarHBondContact CE2-OG1 3.48Å; Y467-T502 PolarHBondContact OH-OG1 2.85Å; Y467-R503 HydrophobicContact CD1-CB 3.83Å; Y467-R503 HydrophobicContact CD1-CG 3.76Å; Y467-R503 HydrophobicContact CD2-CB 4.26Å; Y467-R503 HydrophobicContact CE1-CB 3.81Å; Y467-R503 HydrophobicContact CE1-CG 4.14Å; Y467-R503 HydrophobicContact CE2-CB 4.26Å; Y467-R503 HydrophobicContact CG-CB 4.07Å; Y467-R503 HydrophobicContact CG-CG 4.13Å
468S77.5Confident75.2Confident33 Ų3344.4 Ų44.423%0.23124%0.235CC..Hα-helixtrans-66.9-35.5176.863.90000111.9H465 S466 A470 L471 T472H465-S468 WeakPolarHBondContact O-CB 3.38Å; H465-S468 PolarHBondContact O-N 3.14Å; H465-S468 PolarHBondContact O-OG 2.84Å; S466-S468 PolarHBondContact O-N 3.47Å; S468-A470 VanDerWaalsContact C-N 3.31Å; S468-A470 PolarHBondContact O-N 2.87Å; S468-L471 PolarHBondContact O-N 2.87Å; S468-T472 PolarHBondContact O-N 3.22Å; S468-T472 PolarHBondContact O-OG1 2.85Å
469I81.7Confident76Confident82 Ų8241.2 Ų41.242%0.42122%0.215SC..Hα-helixtrans-64.4-38176.1-53.6175.3000110.4S466 Y467 T472 A473 P568S466-I469 WeakPolarHBondContact O-CB 3.38Å; S466-I469 PolarHBondContact O-N 3.44Å; S466-I469 VanDerWaalsContact O-N 3.11Å; Y467-I469 VanDerWaalsContact C-N 3.33Å; I469-T472 WeakPolarHBondContact CA-OG1 3.28Å; I469-T472 PolarHBondContact O-OG1 3.05Å; I469-A473 VanDerWaalsContact O-CB 3.31Å; I469-A473 WeakPolarHBondContact O-CB 3.5Å; I469-A473 PolarHBondContact O-N 3.16Å; I469-P568 HydrophobicContact CG2-CB 4.3Å; I469-P568 HydrophobicContact CG2-CG 4.22Å
470A81.4Confident76.8Confident2 Ų242 Ų422%0.01722%0.22CC..Hα-helixtrans-69.6-38.5174.400000112.6S466 Y467 S468 A473 M474 P568 L572S466-A470 PolarHBondContact O-N 3.36Å; Y467-A470 PolarHBondContact O-N 2.92Å; S468-A470 VanDerWaalsContact C-N 3.31Å; S468-A470 PolarHBondContact O-N 2.87Å; A470-A473 PolarHBondContact O-N 2.9Å; A470-M474 PolarHBondContact O-N 3.32Å; A470-M474 VanDerWaalsContact O-N 3.13Å; A470-P568 HydrophobicContact CB-CB 4.26Å; A470-L572 HydrophobicContact CB-CB 4.31Å; A470-L572 HydrophobicContact CB-CD1 4.04Å; A470-L572 HydrophobicContact CB-CD2 4.18Å; A470-L572 HydrophobicContact CB-CG 4.42Å
471L84.6Confident77.3Confident3 Ų343 Ų432%0.01622%0.22CC..Hα-helixtrans-63.6-42.5172.9-65.9176.2000111.6Y467 S468 M474 M475 T493 L496Y467-L471 HydrophobicContact CD2-CD1 4.09Å; Y467-L471 HydrophobicContact CE2-CD1 4.3Å; Y467-L471 WeakPolarHBondContact O-CG 3.46Å; Y467-L471 PolarHBondContact O-N 3.17Å; S468-L471 PolarHBondContact O-N 2.87Å; L471-M474 HydrophobicContact CD2-CE 3.7Å; L471-M474 PolarHBondContact O-N 2.66Å; L471-M475 PolarHBondContact O-N 2.84Å; L471-M475 VanDerWaalsContact O-N 3.09Å; L471-T493 HydrophobicContact CB-CG2 4.37Å; L471-L496 HydrophobicContact CD2-CB 4.09Å; L471-L496 HydrophobicContact CD2-CD1 3.7Å
472T79.1Confident77.9Confident70 Ų7039.5 Ų39.543%0.42921%0.206SC..Hα-helixtrans-68.6-34.5175.4510000112.3S468 I469 M474 M475 T476S468-T472 PolarHBondContact O-N 3.22Å; S468-T472 PolarHBondContact O-OG1 2.85Å; I469-T472 WeakPolarHBondContact CA-OG1 3.28Å; I469-T472 PolarHBondContact O-OG1 3.05Å; T472-M474 VanDerWaalsContact C-N 3.35Å; T472-M474 PolarHBondContact O-N 3.19Å; T472-M475 WeakPolarHBondContact O-CB 3.48Å; T472-M475 PolarHBondContact O-N 3.21Å; T472-T476 PolarHBondContact O-N 3.23Å; T472-T476 PolarHBondContact O-OG1 2.82Å; T472-T476 VanDerWaalsContact O-OG1 3.05Å
473A82.3Confident78.6Confident8 Ų836.7 Ų36.77%0.06619%0.189CC..Hα-helixtrans-62.9-39.3175.600000112.3I469 A470 T476 W477 L565 P568I469-A473 VanDerWaalsContact O-CB 3.31Å; I469-A473 WeakPolarHBondContact O-CB 3.5Å; I469-A473 PolarHBondContact O-N 3.16Å; A470-A473 PolarHBondContact O-N 2.9Å; A473-T476 WeakPolarHBondContact CA-OG1 3.41Å; A473-T476 PolarHBondContact O-OG1 3.43Å; A473-W477 WeakPolarHBondContact O-CB 3.25Å; A473-W477 PolarHBondContact O-N 3.01Å; A473-L565 HydrophobicContact CB-CD2 4.45Å; A473-P568 HydrophobicContact CB-CB 4.45Å; A473-P568 HydrophobicContact CB-CG 4.28Å
474M86.1Confident79.3Confident6 Ų637 Ų373%0.0319%0.191CC..Hα-helixtrans-67.3-40.3172.3-68.3-171.9-59.100112.3A470 L471 T472 W477 A478 L489 I513A470-M474 PolarHBondContact O-N 3.32Å; A470-M474 VanDerWaalsContact O-N 3.13Å; L471-M474 HydrophobicContact CD2-CE 3.7Å; L471-M474 PolarHBondContact O-N 2.66Å; T472-M474 VanDerWaalsContact C-N 3.35Å; T472-M474 PolarHBondContact O-N 3.19Å; M474-W477 PolarHBondContact O-N 3.47Å; M474-A478 PolarHBondContact O-N 3.3Å; M474-L489 HydrophobicContact CB-CB 4.49Å; M474-L489 HydrophobicContact CB-CD2 4.48Å; M474-L489 HydrophobicContact CG-CD2 4.3Å; M474-L489 HydrophobicContact SD-CD2 4.09Å; M474-I513 HydrophobicContact CE-CD1 4.22Å; M474-I513 HydrophobicContact SD-CD1 4.11Å; M474-I513 HydrophobicContact SD-CG1 4.33Å; M474-I513 HydrophobicContact SD-CG2 3.51Å; M474-I513 VanDerWaalsContact SD-CG2 3.51Å
475M81.7Confident79.8Confident29 Ų2936.3 Ų36.314%0.14319%0.188CC..Hα-helixtrans-59.6-47173.8-169.369.991.200111.4L471 T472 A478 L479 L490 T493L471-M475 PolarHBondContact O-N 2.84Å; L471-M475 VanDerWaalsContact O-N 3.09Å; T472-M475 WeakPolarHBondContact O-CB 3.48Å; T472-M475 PolarHBondContact O-N 3.21Å; M475-A478 PolarHBondContact O-N 2.9Å; M475-L479 HydrophobicContact CG-CD1 4.21Å; M475-L479 WeakPolarHBondContact O-CG 3.28Å; M475-L479 PolarHBondContact O-N 3.18Å; M475-L479 VanDerWaalsContact O-N 3.1Å; M475-L490 HydrophobicContact CE-CD1 4.27Å; M475-L490 HydrophobicContact SD-CD1 3.4Å; M475-L490 WeakPolarHBondContact SD-CD1 3.4Å; M475-T493 HydrophobicContact CB-CG2 4.35Å; M475-T493 HydrophobicContact CE-CG2 3.73Å; M475-T493 HydrophobicContact SD-CG2 4.46Å
476T79.8Confident80.1Confident49 Ų4933.3 Ų33.330%0.30117%0.174SC..Hα-helixtrans-68.8-33.4178.149.90000112.5T472 A473 L479 L480T472-T476 PolarHBondContact O-N 3.23Å; T472-T476 PolarHBondContact O-OG1 2.82Å; T472-T476 VanDerWaalsContact O-OG1 3.05Å; A473-T476 WeakPolarHBondContact CA-OG1 3.41Å; A473-T476 PolarHBondContact O-OG1 3.43Å; T476-L479 PolarHBondContact O-N 2.96Å; T476-L480 VanDerWaalsContact O-CB 3.27Å; T476-L480 WeakPolarHBondContact O-CB 3.41Å; T476-L480 WeakPolarHBondContact O-CD1 3.41Å; T476-L480 WeakPolarHBondContact O-CG 3.18Å; T476-L480 PolarHBondContact O-N 2.93Å
477W85.5Confident80.5Confident12 Ų1234.6 Ų34.65%0.04518%0.18CC..Hα-helixtrans-60.6-46.6172.2-172-60000110.8A473 M474 L479 L480 Y481 L489 I517 L520 Q562 L565 T566A473-W477 WeakPolarHBondContact O-CB 3.25Å; A473-W477 PolarHBondContact O-N 3.01Å; M474-W477 PolarHBondContact O-N 3.47Å; W477-L479 VanDerWaalsContact C-N 3.33Å; W477-L479 PolarHBondContact O-N 3.36Å; W477-L480 PolarHBondContact O-N 3.42Å; W477-Y481 HydrophobicContact CD2-CD2 4.45Å; W477-Y481 HydrophobicContact CG-CD2 4.32Å; W477-Y481 PolarHBondContact O-N 3.31Å; W477-L489 HydrophobicContact CB-CD1 4.22Å; W477-L489 HydrophobicContact CG-CD1 3.94Å; W477-I517 HydrophobicContact CH2-CG2 4.46Å; W477-I517 HydrophobicContact CZ3-CG2 4.37Å; W477-L520 HydrophobicContact CZ2-CB 4.21Å; W477-L520 HydrophobicContact CZ2-CD1 4.39Å; W477-Q562 HydrophobicContact CH2-CB 3.58Å; W477-Q562 HydrophobicContact CH2-CG 3.62Å; W477-Q562 HydrophobicContact CZ2-CB 4.33Å; W477-Q562 HydrophobicContact CZ2-CG 3.86Å; W477-Q562 HydrophobicContact CZ3-CB 3.83Å; W477-Q562 HydrophobicContact CZ3-CG 4.05Å; W477-Q562 WeakPolarHBondContact CZ3-O 3.43Å; W477-L565 HydrophobicContact CB-CD1 4.44Å; W477-L565 HydrophobicContact CE3-CB 3.82Å; W477-L565 HydrophobicContact CE3-CD1 4.11Å; W477-L565 HydrophobicContact CZ3-CB 4.2Å; W477-T566 HydrophobicContact CH2-CG2 4.47Å; W477-T566 HydrophobicContact CZ3-CG2 3.94Å
478A81Confident80.7Confident0 Ų036.8 Ų36.80%019%0.193CC..Hα-helixtrans-62.6-36.8178.800000113.3M474 M475 G486 L489 L490 Y701M474-A478 PolarHBondContact O-N 3.3Å; M475-A478 PolarHBondContact O-N 2.9Å; A478-G486 WeakPolarHBondContact CB-O 3.42Å; A478-L489 HydrophobicContact CB-CB 4.24Å; A478-L490 HydrophobicContact CB-CB 3.93Å; A478-Y701 PolarHBondContact O-OH 3.34Å
479L76.9Confident81.1Confident25 Ų2535.3 Ų35.313%0.13118%0.183CC..Hα-helixtrans-79.2-30.2178.8-67.2170.8000113.5M475 T476 W477 F741 L744 I748M475-L479 HydrophobicContact CG-CD1 4.21Å; M475-L479 WeakPolarHBondContact O-CG 3.28Å; M475-L479 PolarHBondContact O-N 3.18Å; M475-L479 VanDerWaalsContact O-N 3.1Å; T476-L479 PolarHBondContact O-N 2.96Å; W477-L479 VanDerWaalsContact C-N 3.33Å; W477-L479 PolarHBondContact O-N 3.36Å; L479-F741 HydrophobicContact CB-CD2 4.41Å; L479-F741 HydrophobicContact CD1-CD2 4.36Å; L479-F741 HydrophobicContact CD1-CE2 4.36Å; L479-L744 HydrophobicContact CD2-CD1 4.06Å; L479-I748 HydrophobicContact CD1-CD1 4.14Å
480L75.5Confident81.3Confident101 Ų10131.6 Ų31.653%0.52916%0.164SC..Hα-helixtrans-81.9-33.2178.3-71.6168.4000113.1T476 W477 L565T476-L480 VanDerWaalsContact O-CB 3.27Å; T476-L480 WeakPolarHBondContact O-CB 3.41Å; T476-L480 WeakPolarHBondContact O-CD1 3.41Å; T476-L480 WeakPolarHBondContact O-CG 3.18Å; T476-L480 PolarHBondContact O-N 2.93Å; W477-L480 PolarHBondContact O-N 3.42Å; L480-L565 HydrophobicContact CD1-CD1 4.13Å
481Y74.3Confident81.4Confident52 Ų5235.1 Ų35.120%0.20418%0.181CC..SBendtrans-120.470.4-175.2-60.8-68.6000110.6W477 S483 I558 V561 Q562W477-Y481 HydrophobicContact CD2-CD2 4.45Å; W477-Y481 HydrophobicContact CG-CD2 4.32Å; W477-Y481 PolarHBondContact O-N 3.31Å; Y481-S483 PolarHBondContact O-N 3.13Å; Y481-S483 PolarHBondContact O-OG 3.19Å; Y481-I558 HydrophobicContact CE1-CG1 4.46Å; Y481-I558 HydrophobicContact CE1-CG2 3.99Å; Y481-V561 HydrophobicContact CE2-CG1 4.43Å; Y481-V561 WeakPolarHBondContact OH-CG1 3.04Å; Y481-Q562 HydrophobicContact CD2-CG 4.37Å; Y481-Q562 HydrophobicContact CE2-CG 3.64Å
482H76Confident81.4Confident52 Ų5237.5 Ų37.524%0.24119%0.194CC..  trans-56.6106.1-177.2177.7-83.8000111.9Y701 F705H482-Y701 AromaticContact CD2-CE2 3.95Å; H482-Y701 AromaticContact CD2-CZ 3.69Å; H482-Y701 AromaticContact NE2-CE1 3.96Å; H482-F705 AromaticContact CE1-CD1 3.81Å; H482-F705 AromaticContact CE1-CD2 3.84Å; H482-F705 AromaticContact CE1-CE1 3.63Å; H482-F705 AromaticContact CE1-CE2 3.67Å; H482-F705 AromaticContact CE1-CG 3.91Å; H482-F705 AromaticContact CE1-CZ 3.57Å; H482-F705 AromaticContact NE2-CD2 3.84Å; H482-F705 AromaticContact NE2-CE2 3.52Å; H482-F705 AromaticContact NE2-CZ 3.76Å
483S78.1Confident81.6Confident12 Ų1234.2 Ų34.28%0.08417%0.174CC..SBendtrans-158.5165.5-174.756.90000110.2Y481 F485 G486 L487 G545 Y701Y481-S483 PolarHBondContact O-N 3.13Å; Y481-S483 PolarHBondContact O-OG 3.19Å; S483-F485 PolarHBondContact O-N 2.97Å; S483-G486 PolarHBondContact O-N 3.44Å; S483-G486 VanDerWaalsContact O-N 3.14Å; S483-G486 PolarHBondContact OG-N 2.97Å; S483-L487 PolarHBondContact O-N 3.3Å; S483-G545 VanDerWaalsContact CB-O 3.3Å; S483-G545 WeakPolarHBondContact CB-O 3.27Å; S483-Y701 PolarHBondContact O-OH 3.43Å
484I81.8Confident81.4Confident55 Ų5534.8 Ų34.828%0.28218%0.177SC..Hα-helixtrans-62.2-32.3171.3-64.7-174.1000110.7L487 I488 F543 V544 F705I484-L487 WeakPolarHBondContact O-CB 3.43Å; I484-L487 PolarHBondContact O-N 3.17Å; I484-I488 PolarHBondContact O-N 3.5Å; I484-F543 HydrophobicContact CD1-CD1 4.17Å; I484-F543 HydrophobicContact CD1-CE1 4Å; I484-F543 WeakPolarHBondContact CD1-O 3.37Å; I484-V544 PolarHBondContact N-O 3.41Å; I484-F705 HydrophobicContact CG1-CE1 3.68Å; I484-F705 HydrophobicContact CG1-CZ 4Å
485F82.2Confident81.2Confident61 Ų6138.3 Ų38.327%0.26820%0.195SC..Hα-helixtrans-69.8-35.6173.7-61.1-55.3000112.5S483 I488 Y516 L520 V544 I546S483-F485 PolarHBondContact O-N 2.97Å; F485-I488 HydrophobicContact CD1-CD1 4.47Å; F485-I488 PolarHBondContact O-N 3.49Å; F485-Y516 WeakPolarHBondContact CA-OH 3.42Å; F485-Y516 WeakPolarHBondContact CB-OH 3.38Å; F485-Y516 WeakPolarHBondContact CD1-OH 3.35Å; F485-Y516 PolarHBondContact O-OH 3.33Å; F485-L520 HydrophobicContact CB-CD2 4.21Å; F485-L520 HydrophobicContact CD2-CD2 4.46Å; F485-L520 HydrophobicContact CG-CD2 4.31Å; F485-V544 HydrophobicContact CD2-CG1 3.98Å; F485-V544 HydrophobicContact CE2-CG1 3.51Å; F485-V544 HydrophobicContact CZ-CG1 4.18Å; F485-I546 HydrophobicContact CD2-CD1 3.99Å; F485-I546 HydrophobicContact CE2-CD1 3.73Å
486G79.7Confident81.2Confident0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-62.2-41.5168.900000113A478 S483 I488 L489 L490A478-G486 WeakPolarHBondContact CB-O 3.42Å; S483-G486 PolarHBondContact O-N 3.44Å; S483-G486 VanDerWaalsContact O-N 3.14Å; S483-G486 PolarHBondContact OG-N 2.97Å; G486-I488 PolarHBondContact O-N 3.49Å; G486-L489 WeakPolarHBondContact O-CB 3.29Å; G486-L489 PolarHBondContact O-N 3.33Å; G486-L490 PolarHBondContact O-N 3.03Å
487L83.8Confident81.2Confident36 Ų3637.3 Ų37.319%0.18819%0.185CC..Hα-helixtrans-57.7-36.9177.8-179.659.5000112.4S483 I484 L490 I491 Y701S483-L487 PolarHBondContact O-N 3.3Å; I484-L487 WeakPolarHBondContact O-CB 3.43Å; I484-L487 PolarHBondContact O-N 3.17Å; L487-L490 HydrophobicContact CD1-CD2 4.36Å; L487-L490 PolarHBondContact O-N 3.44Å; L487-I491 HydrophobicContact CD1-CD1 3.82Å; L487-I491 HydrophobicContact CD1-CG1 4.02Å; L487-I491 HydrophobicContact CD2-CD1 4.47Å; L487-I491 HydrophobicContact CG-CD1 3.81Å; L487-I491 HydrophobicContact CG-CG1 4.4Å; L487-I491 WeakPolarHBondContact O-CB 3.42Å; L487-I491 WeakPolarHBondContact O-CG1 3.48Å; L487-I491 PolarHBondContact O-N 3.34Å; L487-Y701 HydrophobicContact CB-CE1 3.9Å; L487-Y701 HydrophobicContact CD1-CD1 3.82Å; L487-Y701 HydrophobicContact CD1-CE1 3.79Å; L487-Y701 HydrophobicContact CG-CE1 4.35Å; L487-Y701 PolarHBondContact N-OH 3.15Å
488I86.5Confident80.8Confident85 Ų8542 Ų4244%0.43621%0.21SC..Hα-helixtrans-63.2-41.9176.1-65168.7000110.9I484 F485 G486 L492I484-I488 PolarHBondContact O-N 3.5Å; F485-I488 HydrophobicContact CD1-CD1 4.47Å; F485-I488 PolarHBondContact O-N 3.49Å; G486-I488 PolarHBondContact O-N 3.49Å; I488-L492 WeakPolarHBondContact O-CB 3.35Å; I488-L492 PolarHBondContact O-N 3.32Å
489L85.9Confident80.6Confident2 Ų247.2 Ų47.21%0.0123%0.232CC..Hα-helixtrans-67.9-38.3176.4-65.3174.9000112.3M474 W477 A478 G486 T493 Y516M474-L489 HydrophobicContact CB-CB 4.49Å; M474-L489 HydrophobicContact CB-CD2 4.48Å; M474-L489 HydrophobicContact CG-CD2 4.3Å; M474-L489 HydrophobicContact SD-CD2 4.09Å; W477-L489 HydrophobicContact CB-CD1 4.22Å; W477-L489 HydrophobicContact CG-CD1 3.94Å; A478-L489 HydrophobicContact CB-CB 4.24Å; G486-L489 WeakPolarHBondContact O-CB 3.29Å; G486-L489 PolarHBondContact O-N 3.33Å; L489-T493 WeakPolarHBondContact O-CB 3.48Å; L489-T493 PolarHBondContact O-N 3.38Å; L489-T493 PolarHBondContact O-OG1 2.7Å; L489-Y516 HydrophobicContact CD2-CD1 4.12Å; L489-Y516 HydrophobicContact CD2-CE1 3.97Å; L489-Y516 HydrophobicContact CG-CE1 4.15Å
490L84.3Confident80.4Confident4 Ų456.2 Ų56.22%0.02127%0.265CS..Hα-helixtrans-62.1-54.5174.8173.858.4000111.3M475 A478 G486 L487 L492 T493 C494 Y701M475-L490 HydrophobicContact CE-CD1 4.27Å; M475-L490 HydrophobicContact SD-CD1 3.4Å; M475-L490 WeakPolarHBondContact SD-CD1 3.4Å; A478-L490 HydrophobicContact CB-CB 3.93Å; G486-L490 PolarHBondContact O-N 3.03Å; L487-L490 HydrophobicContact CD1-CD2 4.36Å; L487-L490 PolarHBondContact O-N 3.44Å; L490-L492 PolarHBondContact O-N 3.38Å; L490-T493 PolarHBondContact O-N 3.1Å; L490-T493 VanDerWaalsContact O-N 3.14Å; L490-C494 PolarHBondContact O-N 3.06Å; L490-C494 PolarHBondContact O-SG 2.87Å; L490-C494 VanDerWaalsContact O-SG 3.4Å; L490-Y701 HydrophobicContact CD2-CD1 4.09Å; L490-Y701 HydrophobicContact CD2-CD2 3.53Å; L490-Y701 HydrophobicContact CD2-CE1 4.42Å; L490-Y701 HydrophobicContact CD2-CE2 3.88Å; L490-Y701 HydrophobicContact CD2-CG 3.65Å
491I84.2Confident80.4Confident75 Ų7556.2 Ų56.239%0.38527%0.265SS..Hα-helixtrans-59.9-47.4179.3-69.7171.4000110.8L487 T493 C494 I495L487-I491 HydrophobicContact CD1-CD1 3.82Å; L487-I491 HydrophobicContact CD1-CG1 4.02Å; L487-I491 HydrophobicContact CD2-CD1 4.47Å; L487-I491 HydrophobicContact CG-CD1 3.81Å; L487-I491 HydrophobicContact CG-CG1 4.4Å; L487-I491 WeakPolarHBondContact O-CB 3.42Å; L487-I491 WeakPolarHBondContact O-CG1 3.48Å; L487-I491 PolarHBondContact O-N 3.34Å; I491-T493 VanDerWaalsContact C-N 3.26Å; I491-T493 PolarHBondContact O-N 3.07Å; I491-C494 PolarHBondContact O-N 3.14Å; I491-I495 HydrophobicContact CG2-CD1 3.72Å; I491-I495 HydrophobicContact CG2-CG1 4.49Å; I491-I495 WeakPolarHBondContact O-CG1 3.48Å; I491-I495 PolarHBondContact O-N 2.82Å
492L84.9Confident80.6Confident54 Ų5454.8 Ų54.828%0.28326%0.262SS..Hα-helixtrans-57.7-41.1176.9-179.762.4000111.2I488 L490 L496 I513I488-L492 WeakPolarHBondContact O-CB 3.35Å; I488-L492 PolarHBondContact O-N 3.32Å; L490-L492 PolarHBondContact O-N 3.38Å; L492-L496 HydrophobicContact CD1-CD1 3.98Å; L492-L496 HydrophobicContact CD1-CG 4.21Å; L492-L496 HydrophobicContact CG-CD1 3.85Å; L492-L496 HydrophobicContact CG-CG 4.45Å; L492-L496 VanDerWaalsContact O-CB 3.29Å; L492-L496 WeakPolarHBondContact O-CB 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.33Å; L492-L496 PolarHBondContact O-N 2.92Å; L492-I513 HydrophobicContact CD2-CD1 4.44Å; L492-I513 HydrophobicContact CD2-CG1 4.27Å
493T82.7Confident80.8Confident0 Ų055.2 Ų55.20%026%0.261CS..Hα-helixtrans-68.4-47.4178.6-56.50000111.7L471 M475 L489 L490 I491 I495 L496 W497L471-T493 HydrophobicContact CB-CG2 4.37Å; M475-T493 HydrophobicContact CB-CG2 4.35Å; M475-T493 HydrophobicContact CE-CG2 3.73Å; M475-T493 HydrophobicContact SD-CG2 4.46Å; L489-T493 WeakPolarHBondContact O-CB 3.48Å; L489-T493 PolarHBondContact O-N 3.38Å; L489-T493 PolarHBondContact O-OG1 2.7Å; L490-T493 PolarHBondContact O-N 3.1Å; L490-T493 VanDerWaalsContact O-N 3.14Å; I491-T493 VanDerWaalsContact C-N 3.26Å; I491-T493 PolarHBondContact O-N 3.07Å; T493-I495 VanDerWaalsContact C-N 3.32Å; T493-I495 PolarHBondContact O-N 3.23Å; T493-L496 PolarHBondContact O-N 3.47Å; T493-L496 VanDerWaalsContact O-N 3.16Å; T493-W497 VanDerWaalsContact O-CD1 3.28Å; T493-W497 PolarHBondContact O-N 3.42Å
494C78.9Confident80.9Confident20 Ų2062.5 Ų62.514%0.13529%0.291CS..Hα-helixtrans-56.1-45.5176.6-68.70000111.9L490 I491 W497 I498L490-C494 PolarHBondContact O-N 3.06Å; L490-C494 PolarHBondContact O-SG 2.87Å; L490-C494 VanDerWaalsContact O-SG 3.4Å; I491-C494 PolarHBondContact O-N 3.14Å; C494-W497 PolarHBondContact O-N 3.47Å; C494-I498 WeakPolarHBondContact O-CG1 3.35Å; C494-I498 PolarHBondContact O-N 3.29Å
495I81.7Confident81Confident81 Ų8161.3 Ų61.342%0.41529%0.288SS..Hα-helixtrans-63.3-45.2176.1-67.6170.6000111.3I491 T493 W497 I498 F499I491-I495 HydrophobicContact CG2-CD1 3.72Å; I491-I495 HydrophobicContact CG2-CG1 4.49Å; I491-I495 WeakPolarHBondContact O-CG1 3.48Å; I491-I495 PolarHBondContact O-N 2.82Å; T493-I495 VanDerWaalsContact C-N 3.32Å; T493-I495 PolarHBondContact O-N 3.23Å; I495-W497 VanDerWaalsContact C-N 3.27Å; I495-W497 PolarHBondContact O-N 2.96Å; I495-I498 PolarHBondContact O-N 2.61Å; I495-F499 HydrophobicContact CG2-CD2 4.33Å; I495-F499 HydrophobicContact CG2-CE2 3.6Å; I495-F499 HydrophobicContact CG2-CZ 4.06Å; I495-F499 WeakPolarHBondContact O-CD2 3.45Å; I495-F499 PolarHBondContact O-N 3.03Å
496L82.6Confident81.1Confident4 Ų458.5 Ų58.52%0.02128%0.276CS..Hα-helixtrans-64-27.5179.4-75.9172.4000113.6L471 L492 T493 T502 S505L471-L496 HydrophobicContact CD2-CB 4.09Å; L471-L496 HydrophobicContact CD2-CD1 3.7Å; L492-L496 HydrophobicContact CD1-CD1 3.98Å; L492-L496 HydrophobicContact CD1-CG 4.21Å; L492-L496 HydrophobicContact CG-CD1 3.85Å; L492-L496 HydrophobicContact CG-CG 4.45Å; L492-L496 VanDerWaalsContact O-CB 3.29Å; L492-L496 WeakPolarHBondContact O-CB 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.33Å; L492-L496 PolarHBondContact O-N 2.92Å; T493-L496 PolarHBondContact O-N 3.47Å; T493-L496 VanDerWaalsContact O-N 3.16Å; L496-T502 WeakPolarHBondContact O-CG2 3.27Å; L496-S505 WeakPolarHBondContact CD2-OG 3.36Å
497W79.6Confident81.4Confident53 Ų5360 Ų6020%0.20128%0.282CS..Hα-helixtrans-77.1-34.6173.8-84.673.1000113T493 C494 I495 M755 K759T493-W497 VanDerWaalsContact O-CD1 3.28Å; T493-W497 PolarHBondContact O-N 3.42Å; C494-W497 PolarHBondContact O-N 3.47Å; I495-W497 VanDerWaalsContact C-N 3.27Å; I495-W497 PolarHBondContact O-N 2.96Å; W497-M755 HydrophobicContact CB-CE 4.45Å; W497-M755 HydrophobicContact CE3-CE 3.72Å; W497-M755 HydrophobicContact CE3-SD 4.36Å; W497-M755 HydrophobicContact CZ3-CE 4.38Å; W497-M755 WeakPolarHBondContact O-CE 3.33Å; W497-K759 PolarHBondContact O-NZ 3.17Å
498I76.7Confident81.4Confident111 Ų11161.4 Ų61.457%0.56930%0.3SS*.Hα-helixtrans-62.3-44.9179.9-70.3164.7000111.1C494 I495 K759C494-I498 WeakPolarHBondContact O-CG1 3.35Å; C494-I498 PolarHBondContact O-N 3.29Å; I495-I498 PolarHBondContact O-N 2.61Å; I498-K759 PolarHBondContact O-NZ 2.66Å; I498-K759 VanDerWaalsContact O-NZ 3.12Å
499F77.2Confident81.4Confident109 Ų10961.3 Ų61.348%0.47830%0.298SS..SBendtrans-52.9144.3-178.9-71.6-54.8000114.5I495 D501 T502 K759I495-F499 HydrophobicContact CG2-CD2 4.33Å; I495-F499 HydrophobicContact CG2-CE2 3.6Å; I495-F499 HydrophobicContact CG2-CZ 4.06Å; I495-F499 WeakPolarHBondContact O-CD2 3.45Å; I495-F499 PolarHBondContact O-N 3.03Å; F499-D501 PolarHBondContact O-N 3.06Å; F499-T502 WeakPolarHBondContact O-CG2 3.42Å; F499-K759 PolarHBondContact O-NZ 2.89Å
500R72Confident81.4Confident214 Ų21461.2 Ų61.281%0.80830%0.298SS*.THydrogen-bonded Turntrans-61.7-46.2-176.3-155.1179.578.31712.2112.8
501D74.6Confident81.3Confident101 Ų10163.1 Ų63.154%0.5431%0.311SS..THydrogen-bonded Turntrans-109.164.7-173.1-61.3-17.8000112.2F499 R503 K504F499-D501 PolarHBondContact O-N 3.06Å; D501-R503 PolarHBondContact O-N 3.48Å; D501-K504 PolarHBondContact O-N 3.46Å
502T79.1Confident81.5Confident21 Ų2164.4 Ų64.413%0.12932%0.317CS..Hα-helixtrans-47.1-50.8-172.5590000114.5Y467 L496 F499 K504 S505 S506Y467-T502 VanDerWaalsContact CE2-OG1 3.25Å; Y467-T502 WeakPolarHBondContact CE2-OG1 3.48Å; Y467-T502 PolarHBondContact OH-OG1 2.85Å; L496-T502 WeakPolarHBondContact O-CG2 3.27Å; F499-T502 WeakPolarHBondContact O-CG2 3.42Å; T502-K504 VanDerWaalsContact C-N 3.31Å; T502-K504 PolarHBondContact O-N 2.82Å; T502-S505 PolarHBondContact O-N 2.93Å; T502-S505 VanDerWaalsContact O-N 3.13Å; T502-S506 PolarHBondContact O-N 2.67Å; T502-S506 PolarHBondContact O-OG 3.39Å
503R80.9Confident81.6Confident62 Ų6262.2 Ų62.223%0.23431%0.305CS..Hα-helixtrans-54-42-178-178.8178.1174.4-112.8-2.9113.1Y467 D501 S506 F507 E579Y467-R503 HydrophobicContact CD1-CB 3.83Å; Y467-R503 HydrophobicContact CD1-CG 3.76Å; Y467-R503 HydrophobicContact CD2-CB 4.26Å; Y467-R503 HydrophobicContact CE1-CB 3.81Å; Y467-R503 HydrophobicContact CE1-CG 4.14Å; Y467-R503 HydrophobicContact CE2-CB 4.26Å; Y467-R503 HydrophobicContact CG-CB 4.07Å; Y467-R503 HydrophobicContact CG-CG 4.13Å; D501-R503 PolarHBondContact O-N 3.48Å; R503-S506 WeakPolarHBondContact CA-OG 3.48Å; R503-S506 PolarHBondContact O-OG 3.27Å; R503-F507 HydrophobicContact CG-CD2 4.25Å; R503-F507 HydrophobicContact CG-CE2 3.8Å; R503-F507 HydrophobicContact CG-CZ 3.95Å; R503-F507 WeakPolarHBondContact O-CG 3.43Å; R503-F507 PolarHBondContact O-N 3.48Å; R503-E579 IonicContact CZ-OE1 3.16Å; R503-E579 IonicContact CZ-OE2 3.91Å; R503-E579 IonicContact NH1-OE1 3.99Å; R503-E579 IonicContact NH2-OE1 2.76Å; R503-E579 PolarHBondContact NH2-OE1 3.14Å; R503-E579 IonicContact NH2-OE2 2.81Å; R503-E579 PolarHBondContact NH2-OE2 2.97Å
504K80.7Confident81.8Confident164 Ų16462.4 Ų62.471%0.71331%0.306SS*.Hα-helixtrans-67.6-40.1-178-174.4-179.1176.3-173.80110.9D501 T502 A508D501-K504 PolarHBondContact O-N 3.46Å; T502-K504 VanDerWaalsContact C-N 3.31Å; T502-K504 PolarHBondContact O-N 2.82Å; K504-A508 PolarHBondContact O-N 3.01Å
505S83.4Confident82.2Confident31 Ų3167.3 Ų67.322%0.21733%0.329CS..Hα-helixtrans-67.6-45.2177.5-159.50000111.6L496 T502 F507 A508 M509L496-S505 WeakPolarHBondContact CD2-OG 3.36Å; T502-S505 PolarHBondContact O-N 2.93Å; T502-S505 VanDerWaalsContact O-N 3.13Å; S505-F507 VanDerWaalsContact C-N 3.33Å; S505-F507 PolarHBondContact O-N 3.32Å; S505-A508 PolarHBondContact O-N 2.95Å; S505-M509 PolarHBondContact O-N 2.73Å
506S84Confident82.5Confident2 Ų266.2 Ų66.21%0.01432%0.32CS..Hα-helixtrans-60.9-37.1178.251.70000113.5T502 R503 A510T502-S506 PolarHBondContact O-N 2.67Å; T502-S506 PolarHBondContact O-OG 3.39Å; R503-S506 WeakPolarHBondContact CA-OG 3.48Å; R503-S506 PolarHBondContact O-OG 3.27Å; S506-A510 PolarHBondContact O-N 2.88Å
507F85.7Confident82.8Confident30 Ų3066.2 Ų66.213%0.13232%0.32CS..Hα-helixtrans-74.7-26.5177.9-69.4-10.8000113.7R503 S505 L572 A576 E579R503-F507 HydrophobicContact CG-CD2 4.25Å; R503-F507 HydrophobicContact CG-CE2 3.8Å; R503-F507 HydrophobicContact CG-CZ 3.95Å; R503-F507 WeakPolarHBondContact O-CG 3.43Å; R503-F507 PolarHBondContact O-N 3.48Å; S505-F507 VanDerWaalsContact C-N 3.33Å; S505-F507 PolarHBondContact O-N 3.32Å; F507-L572 HydrophobicContact CD1-CD1 3.78Å; F507-L572 HydrophobicContact CD1-CG 4.29Å; F507-L572 HydrophobicContact CE1-CD1 3.67Å; F507-A576 HydrophobicContact CB-CB 4.15Å; F507-A576 HydrophobicContact CG-CB 4.3Å; F507-E579 WeakPolarHBondContact CE2-OE2 3.37Å
508A83.8Confident83.2Confident67 Ų6765.2 Ų65.255%0.55432%0.318SS*.Hα-helixtrans-69.3-40.2173.100000111.6K504 S505K504-A508 PolarHBondContact O-N 3.01Å; S505-A508 PolarHBondContact O-N 2.95Å
509M86.6Confident83.7Confident82 Ų8265.2 Ų65.240%0.40431%0.314SS..Hα-helixtrans-85.6-14.9-178.4-62.8-59.2170.300114.4S505 P511 I512 I513S505-M509 PolarHBondContact O-N 2.73Å; M509-P511 VanDerWaalsContact C-CD 3.44Å; M509-P511 VanDerWaalsContact O-N 3.15Å; M509-I512 PolarHBondContact O-N 3.05Å; M509-I512 HydrophobicContact SD-CD1 4.03Å; M509-I513 HydrophobicContact CB-CD1 3.74Å; M509-I513 HydrophobicContact CB-CG1 4.21Å; M509-I513 WeakPolarHBondContact O-CG1 3.35Å; M509-I513 PolarHBondContact O-N 3.12Å
510A85Confident84.2Confident0 Ų060.9 Ų60.90%030%0.295CS..Hα-helixtrans-43.4-45.7-177.900000116.7S506 L514 L572S506-A510 PolarHBondContact O-N 2.88Å; A510-L514 PolarHBondContact O-N 3.26Å; A510-L572 HydrophobicContact CB-CD2 3.71Å; A510-L572 HydrophobicContact CB-CG 3.93Å
511P83.8Confident84.9Confident45 Ų4550.7 Ų50.729%0.29226%0.257SS..Hα-helixtrans-70.8-31.6178.627.7-34.8000113.5M509 M515 L573M509-P511 VanDerWaalsContact C-CD 3.44Å; M509-P511 VanDerWaalsContact O-N 3.15Å; P511-M515 WeakPolarHBondContact O-CG 3.17Å; P511-M515 PolarHBondContact O-N 2.99Å; P511-M515 VanDerWaalsContact O-N 3.17Å; P511-L573 HydrophobicContact CB-CD1 4Å
512I87.7Confident85.5Confident101 Ų10149.1 Ų49.152%0.51825%0.248SC..Hα-helixtrans-71.3-45177.3-61.3167.6000109.2M509 L514 M515 Y516M509-I512 PolarHBondContact O-N 3.05Å; M509-I512 HydrophobicContact SD-CD1 4.03Å; I512-L514 VanDerWaalsContact C-N 3.32Å; I512-L514 PolarHBondContact O-N 2.95Å; I512-M515 PolarHBondContact O-N 3.35Å; I512-Y516 WeakPolarHBondContact O-CB 3.36Å; I512-Y516 PolarHBondContact O-N 3.3Å
513I86.4Confident85.8Confident8 Ų850.6 Ų50.64%0.04126%0.255CS..Hα-helixtrans-58.2-43.7175.5-65.3166.8000110.7M474 L492 M509 Y516 I517 V569M474-I513 HydrophobicContact CE-CD1 4.22Å; M474-I513 HydrophobicContact SD-CD1 4.11Å; M474-I513 HydrophobicContact SD-CG1 4.33Å; M474-I513 HydrophobicContact SD-CG2 3.51Å; M474-I513 VanDerWaalsContact SD-CG2 3.51Å; L492-I513 HydrophobicContact CD2-CD1 4.44Å; L492-I513 HydrophobicContact CD2-CG1 4.27Å; M509-I513 HydrophobicContact CB-CD1 3.74Å; M509-I513 HydrophobicContact CB-CG1 4.21Å; M509-I513 WeakPolarHBondContact O-CG1 3.35Å; M509-I513 PolarHBondContact O-N 3.12Å; I513-Y516 PolarHBondContact O-N 3.03Å; I513-I517 HydrophobicContact CG2-CD1 3.86Å; I513-I517 WeakPolarHBondContact O-CB 3.5Å; I513-I517 WeakPolarHBondContact O-CG1 3.34Å; I513-I517 PolarHBondContact O-N 3.11Å; I513-I517 VanDerWaalsContact O-N 3.08Å; I513-V569 HydrophobicContact CG2-CG1 3.81Å
514L87.1Confident86Confident4 Ų449.1 Ų49.12%0.02125%0.25CS..Hα-helixtrans-66.1-46.8179.1-173.166.1000112.3A510 I512 Y516 I517 E518 V569 F570 L573A510-L514 PolarHBondContact O-N 3.26Å; I512-L514 VanDerWaalsContact C-N 3.32Å; I512-L514 PolarHBondContact O-N 2.95Å; L514-Y516 VanDerWaalsContact C-N 3.28Å; L514-Y516 PolarHBondContact O-N 3.05Å; L514-I517 PolarHBondContact O-N 3.07Å; L514-I517 VanDerWaalsContact O-N 3.14Å; L514-E518 HydrophobicContact CD1-CG 4.32Å; L514-E518 HydrophobicContact CG-CG 4.22Å; L514-E518 WeakPolarHBondContact O-CB 3.22Å; L514-E518 WeakPolarHBondContact O-CG 3.21Å; L514-E518 PolarHBondContact O-N 2.92Å; L514-V569 HydrophobicContact CB-CG1 4.14Å; L514-V569 HydrophobicContact CD1-CB 4.37Å; L514-V569 HydrophobicContact CD1-CG1 3.91Å; L514-F570 HydrophobicContact CD1-CD1 3.76Å; L514-F570 HydrophobicContact CD1-CD2 4.37Å; L514-F570 HydrophobicContact CD1-CE1 3.78Å; L514-F570 HydrophobicContact CD1-CE2 4.38Å; L514-F570 HydrophobicContact CD1-CG 4.07Å; L514-F570 HydrophobicContact CD1-CZ 4.1Å; L514-F570 HydrophobicContact CD2-CD1 3.87Å; L514-F570 HydrophobicContact CD2-CE1 4.03Å; L514-F570 HydrophobicContact CG-CD1 4.45Å; L514-F570 HydrophobicContact CG-CE1 4.38Å; L514-L573 HydrophobicContact CD2-CB 4.35Å; L514-L573 HydrophobicContact CD2-CD2 3.47Å; L514-L573 VanDerWaalsContact CD2-CD2 3.47Å
515M86.9Confident86.3Confident124 Ų12441.7 Ų41.761%0.61122%0.218SC*.Hα-helixtrans-61.5-37.4178.5-69.3-172.9-50.200112.3P511 I512 F519P511-M515 WeakPolarHBondContact O-CG 3.17Å; P511-M515 PolarHBondContact O-N 2.99Å; P511-M515 VanDerWaalsContact O-N 3.17Å; I512-M515 PolarHBondContact O-N 3.35Å; M515-F519 WeakPolarHBondContact O-CB 3.48Å; M515-F519 PolarHBondContact O-N 3.37Å
516Y89.7Confident86.3Confident57 Ų5746.3 Ų46.322%0.22423%0.234CC..Hα-helixtrans-63.8-40.8175.2-176.5-111000112.1F485 L489 I512 I513 L514 F519 L520F485-Y516 WeakPolarHBondContact CA-OH 3.42Å; F485-Y516 WeakPolarHBondContact CB-OH 3.38Å; F485-Y516 WeakPolarHBondContact CD1-OH 3.35Å; F485-Y516 PolarHBondContact O-OH 3.33Å; L489-Y516 HydrophobicContact CD2-CD1 4.12Å; L489-Y516 HydrophobicContact CD2-CE1 3.97Å; L489-Y516 HydrophobicContact CG-CE1 4.15Å; I512-Y516 WeakPolarHBondContact O-CB 3.36Å; I512-Y516 PolarHBondContact O-N 3.3Å; I513-Y516 PolarHBondContact O-N 3.03Å; L514-Y516 VanDerWaalsContact C-N 3.28Å; L514-Y516 PolarHBondContact O-N 3.05Å; Y516-F519 PolarHBondContact O-N 3.29Å; Y516-L520 HydrophobicContact CD1-CD1 4.09Å; Y516-L520 HydrophobicContact CE1-CD1 3.71Å; Y516-L520 WeakPolarHBondContact O-CG 3.46Å; Y516-L520 PolarHBondContact O-N 3.28Å
517I87.8Confident86.1Confident4 Ų447.2 Ų47.22%0.02124%0.239CC..Hα-helixtrans-75.3-35.4178.6-73173.6000112.3W477 I513 L514 F519 L520 L521 T566 V569W477-I517 HydrophobicContact CH2-CG2 4.46Å; W477-I517 HydrophobicContact CZ3-CG2 4.37Å; I513-I517 HydrophobicContact CG2-CD1 3.86Å; I513-I517 WeakPolarHBondContact O-CB 3.5Å; I513-I517 WeakPolarHBondContact O-CG1 3.34Å; I513-I517 PolarHBondContact O-N 3.11Å; I513-I517 VanDerWaalsContact O-N 3.08Å; L514-I517 PolarHBondContact O-N 3.07Å; L514-I517 VanDerWaalsContact O-N 3.14Å; I517-F519 VanDerWaalsContact C-N 3.34Å; I517-L520 PolarHBondContact O-N 3.4Å; I517-L521 PolarHBondContact O-N 2.82Å; I517-T566 HydrophobicContact CG2-CG2 3.3Å; I517-V569 HydrophobicContact CD1-CG1 4.32Å; I517-V569 HydrophobicContact CD1-CG2 3.94Å
518E87.5Confident85.9Confident33 Ų3346.1 Ų46.115%0.15424%0.235CC..Hα-helixtrans-63-39.8170.8-74.4177.1163.600111T221 L514 L521 I522 F570T221-E518 WeakPolarHBondContact CG2-OE1 3.42Å; T221-E518 PolarHBondContact OG1-OE1 3.12Å; L514-E518 HydrophobicContact CD1-CG 4.32Å; L514-E518 HydrophobicContact CG-CG 4.22Å; L514-E518 WeakPolarHBondContact O-CB 3.22Å; L514-E518 WeakPolarHBondContact O-CG 3.21Å; L514-E518 PolarHBondContact O-N 2.92Å; E518-L521 PolarHBondContact O-N 3.07Å; E518-I522 VanDerWaalsContact O-CG1 3.32Å; E518-I522 WeakPolarHBondContact O-CG1 3.41Å; E518-I522 PolarHBondContact O-N 3.35Å; E518-I522 VanDerWaalsContact O-N 3.09Å; E518-F570 HydrophobicContact CG-CZ 4.45Å; E518-F570 WeakPolarHBondContact OE1-CE1 3.25Å
519F88.6Confident85.7Confident111 Ų11143.7 Ų43.749%0.48721%0.212SC..Hα-helixtrans-61.6-47.2172.1169.3-99.2000112.4M515 Y516 I517 L521 I522 L523M515-F519 WeakPolarHBondContact O-CB 3.48Å; M515-F519 PolarHBondContact O-N 3.37Å; Y516-F519 PolarHBondContact O-N 3.29Å; I517-F519 VanDerWaalsContact C-N 3.34Å; F519-L521 PolarHBondContact O-N 3.09Å; F519-I522 PolarHBondContact O-N 2.99Å; F519-L523 HydrophobicContact CE1-CD2 4.31Å; F519-L523 HydrophobicContact CZ-CD2 4.41Å; F519-L523 WeakPolarHBondContact O-CB 3.44Å; F519-L523 PolarHBondContact O-N 2.7Å
520L87Confident85Confident17 Ų1744.8 Ų44.89%0.08922%0.22CC..Hα-helixtrans-62.5-39.8177.7-70.6174.1000112.5W477 F485 Y516 I517 L523 Q524W477-L520 HydrophobicContact CZ2-CB 4.21Å; W477-L520 HydrophobicContact CZ2-CD1 4.39Å; F485-L520 HydrophobicContact CB-CD2 4.21Å; F485-L520 HydrophobicContact CD2-CD2 4.46Å; F485-L520 HydrophobicContact CG-CD2 4.31Å; Y516-L520 HydrophobicContact CD1-CD1 4.09Å; Y516-L520 HydrophobicContact CE1-CD1 3.71Å; Y516-L520 WeakPolarHBondContact O-CG 3.46Å; Y516-L520 PolarHBondContact O-N 3.28Å; I517-L520 PolarHBondContact O-N 3.4Å; L520-L523 PolarHBondContact O-N 3.2Å; L520-Q524 WeakPolarHBondContact O-CB 3.44Å; L520-Q524 PolarHBondContact O-N 3.19Å
521L86.2Confident84.5Confident0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-62.1-41.7174.3-85.3178.5000112.8L217 I517 E518 F519 Y525 Q562 T563 T566L217-L521 HydrophobicContact CD2-CD1 4.13Å; I517-L521 PolarHBondContact O-N 2.82Å; E518-L521 PolarHBondContact O-N 3.07Å; F519-L521 PolarHBondContact O-N 3.09Å; L521-Y525 WeakPolarHBondContact O-CB 3.31Å; L521-Y525 PolarHBondContact O-N 3.06Å; L521-Q562 HydrophobicContact CD2-CB 3.8Å; L521-T563 HydrophobicContact CD1-CG2 4.28Å; L521-T563 HydrophobicContact CD2-CG2 3.79Å; L521-T566 HydrophobicContact CD1-CG2 3.6Å; L521-T566 HydrophobicContact CD2-CG2 4.49Å; L521-T566 HydrophobicContact CG-CG2 4.11Å
522I86.8Confident83.8Confident68 Ų6847.2 Ų47.235%0.34923%0.228SC..Hα-helixtrans-67.6-43.4178-69.5166.2000110.2L217 E518 F519 Y525 F526L217-I522 HydrophobicContact CD1-CG1 4.18Å; E518-I522 VanDerWaalsContact O-CG1 3.32Å; E518-I522 WeakPolarHBondContact O-CG1 3.41Å; E518-I522 PolarHBondContact O-N 3.35Å; E518-I522 VanDerWaalsContact O-N 3.09Å; F519-I522 PolarHBondContact O-N 2.99Å; I522-Y525 PolarHBondContact O-N 3Å; I522-F526 HydrophobicContact CG2-CD2 3.95Å; I522-F526 HydrophobicContact CG2-CE2 3.81Å; I522-F526 VanDerWaalsContact O-CD2 3.31Å; I522-F526 WeakPolarHBondContact O-CD2 3.3Å; I522-F526 PolarHBondContact O-N 3.19Å; I522-F526 VanDerWaalsContact O-N 3.12Å
523L85.3Confident82.9Confident52 Ų5246.5 Ų46.527%0.27224%0.237SC..Hα-helixtrans-59.7-46.9175.9-178.360.8000111.4F519 L520 Y525 F526 L527 I546F519-L523 HydrophobicContact CE1-CD2 4.31Å; F519-L523 HydrophobicContact CZ-CD2 4.41Å; F519-L523 WeakPolarHBondContact O-CB 3.44Å; F519-L523 PolarHBondContact O-N 2.7Å; L520-L523 PolarHBondContact O-N 3.2Å; L523-Y525 VanDerWaalsContact C-N 3.34Å; L523-Y525 PolarHBondContact O-N 2.94Å; L523-F526 PolarHBondContact O-N 3.37Å; L523-L527 HydrophobicContact CD1-CD1 4.22Å; L523-L527 HydrophobicContact CD1-CG 4.49Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 WeakPolarHBondContact O-CG 3.5Å; L523-L527 PolarHBondContact O-N 2.84Å; L523-I546 HydrophobicContact CD2-CD1 4.31Å
524Q85.3Confident82.1Confident31 Ų3150.2 Ų50.215%0.14525%0.254CS..Hα-helixtrans-60.8-41.8175.4-171.770.660.600111.9L520 F526 L527 S528 I558 L559L520-Q524 WeakPolarHBondContact O-CB 3.44Å; L520-Q524 PolarHBondContact O-N 3.19Å; Q524-F526 VanDerWaalsContact C-N 3.32Å; Q524-F526 PolarHBondContact O-N 3.35Å; Q524-L527 PolarHBondContact O-N 2.88Å; Q524-S528 WeakPolarHBondContact O-CB 3.28Å; Q524-S528 PolarHBondContact O-N 3.44Å; Q524-S528 PolarHBondContact O-OG 3.48Å; Q524-I558 HydrophobicContact CG-CG2 3.94Å; Q524-L559 HydrophobicContact CB-CD2 4.16Å; Q524-L559 HydrophobicContact CG-CD2 3.78Å; Q524-L559 HydrophobicContact CG-CG 4.5Å
525Y86.9Confident81.1Confident8 Ų855.2 Ų55.23%0.03128%0.28CS..Hα-helixtrans-60.1-41.6178.6-173.1-82.9000111.6P205 S206 S210 F213 L521 I522 L523 S528 M529 L559P205-Y525 HydrophobicContact CB-CE2 4.12Å; S206-Y525 PolarHBondContact N-OH 2.82Å; S206-Y525 VanDerWaalsContact N-OH 3.13Å; S206-Y525 PolarHBondContact O-OH 3.41Å; S210-Y525 WeakPolarHBondContact CA-OH 3.46Å; S210-Y525 PolarHBondContact N-OH 2.78Å; F213-Y525 HydrophobicContact CB-CE2 4.09Å; F213-Y525 AromaticContact CD1-CD2 3.62Å; F213-Y525 HydrophobicContact CD1-CD2 3.62Å; F213-Y525 HydrophobicContact CD1-CE2 4.05Å; F213-Y525 HydrophobicContact CD1-CG 4.03Å; F213-Y525 HydrophobicContact CD2-CD2 4.44Å; F213-Y525 AromaticContact CE1-CD2 3.83Å; F213-Y525 HydrophobicContact CE1-CD2 3.83Å; F213-Y525 HydrophobicContact CE1-CG 4.07Å; F213-Y525 AromaticContact CG-CD2 3.96Å; F213-Y525 HydrophobicContact CG-CD2 3.96Å; F213-Y525 HydrophobicContact CG-CE2 4.02Å; F213-Y525 HydrophobicContact CZ-CD2 4.33Å; L521-Y525 WeakPolarHBondContact O-CB 3.31Å; L521-Y525 PolarHBondContact O-N 3.06Å; I522-Y525 PolarHBondContact O-N 3Å; L523-Y525 VanDerWaalsContact C-N 3.34Å; L523-Y525 PolarHBondContact O-N 2.94Å; Y525-S528 WeakPolarHBondContact O-CB 3.41Å; Y525-S528 PolarHBondContact O-N 3.02Å; Y525-M529 HydrophobicContact CD1-SD 4.49Å; Y525-M529 HydrophobicContact CE1-SD 4.21Å; Y525-M529 WeakPolarHBondContact O-CG 3.31Å; Y525-L559 HydrophobicContact CD2-CD1 4.19Å
526F84Confident80.1Confident128 Ų12850.8 Ų50.856%0.56127%0.266SS*.Hα-helixtrans-67.5-43.1174.3-80.9-69000113.1I522 L523 Q524 S528 M529I522-F526 HydrophobicContact CG2-CD2 3.95Å; I522-F526 HydrophobicContact CG2-CE2 3.81Å; I522-F526 VanDerWaalsContact O-CD2 3.31Å; I522-F526 WeakPolarHBondContact O-CD2 3.3Å; I522-F526 PolarHBondContact O-N 3.19Å; I522-F526 VanDerWaalsContact O-N 3.12Å; L523-F526 PolarHBondContact O-N 3.37Å; Q524-F526 VanDerWaalsContact C-N 3.32Å; Q524-F526 PolarHBondContact O-N 3.35Å; F526-S528 PolarHBondContact O-N 3.45Å; F526-S528 VanDerWaalsContact O-N 3.12Å; F526-M529 HydrophobicContact CD1-SD 3.98Å; F526-M529 HydrophobicContact CE1-SD 4.38Å; F526-M529 PolarHBondContact O-N 2.96Å; F526-M529 VanDerWaalsContact O-N 3.09Å
527L80.3Confident78.8Confident21 Ų2153.4 Ų53.411%0.1128%0.284CS..Hα-helixtrans-64.8-10.9174.5-68165.8000113.6L523 Q524 I546 W548 T549L523-L527 HydrophobicContact CD1-CD1 4.22Å; L523-L527 HydrophobicContact CD1-CG 4.49Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 WeakPolarHBondContact O-CG 3.5Å; L523-L527 PolarHBondContact O-N 2.84Å; Q524-L527 PolarHBondContact O-N 2.88Å; L527-I546 HydrophobicContact CD1-CG2 3.51Å; L527-I546 HydrophobicContact CD2-CG2 4.27Å; L527-W548 HydrophobicContact CB-CE3 4.49Å; L527-W548 HydrophobicContact CD2-CD2 4.29Å; L527-W548 HydrophobicContact CD2-CE3 3.78Å; L527-W548 HydrophobicContact CD2-CH2 4.28Å; L527-W548 HydrophobicContact CD2-CZ3 3.79Å; L527-T549 PolarHBondContact O-N 2.92Å; L527-T549 PolarHBondContact O-OG1 3.44Å
528S81.1Confident77.9Confident7 Ų755.4 Ų55.45%0.04930%0.297CS..THydrogen-bonded Turntrans-96.6-0.1176.2-52.20000113.8P205 Q524 Y525 F526 T549P205-S528 WeakPolarHBondContact CG-O 3.47Å; Q524-S528 WeakPolarHBondContact O-CB 3.28Å; Q524-S528 PolarHBondContact O-N 3.44Å; Q524-S528 PolarHBondContact O-OG 3.48Å; Y525-S528 WeakPolarHBondContact O-CB 3.41Å; Y525-S528 PolarHBondContact O-N 3.02Å; F526-S528 PolarHBondContact O-N 3.45Å; F526-S528 VanDerWaalsContact O-N 3.12Å; S528-T549 WeakPolarHBondContact CA-OG1 3.01Å; S528-T549 PolarHBondContact OG-OG1 3.46Å
529M78.7Confident77Confident16 Ų1658.1 Ų58.18%0.07933%0.325CS..SBendtrans-89.9148179.2-63.3-17768.500112P205 L274 Y525 F526 I531P205-M529 HydrophobicContact CB-CG 4.43Å; L274-M529 HydrophobicContact CD1-CE 4.28Å; Y525-M529 HydrophobicContact CD1-SD 4.49Å; Y525-M529 HydrophobicContact CE1-SD 4.21Å; Y525-M529 WeakPolarHBondContact O-CG 3.31Å; F526-M529 HydrophobicContact CD1-SD 3.98Å; F526-M529 HydrophobicContact CE1-SD 4.38Å; F526-M529 PolarHBondContact O-N 2.96Å; F526-M529 VanDerWaalsContact O-N 3.09Å; M529-I531 HydrophobicContact CB-CD1 3.74Å; M529-I531 HydrophobicContact CB-CG1 3.78Å; M529-I531 HydrophobicContact CE-CD1 4.09Å; M529-I531 PolarHBondContact O-N 3.22Å; M529-I531 HydrophobicContact SD-CD1 4.26Å
530D73.1Confident76.4Confident105 Ų10560.1 Ų60.156%0.56133%0.329SS*.SBendtrans-75.266.5-179.9-174.126.1000112.7
531I73.3Confident75.5Confident29 Ų2959.9 Ų59.915%0.14933%0.328CS..  trans-130.37.9-175.2-36.4177.8000111.4M529 A533 E534 I535M529-I531 HydrophobicContact CB-CD1 3.74Å; M529-I531 HydrophobicContact CB-CG1 3.78Å; M529-I531 HydrophobicContact CE-CD1 4.09Å; M529-I531 PolarHBondContact O-N 3.22Å; M529-I531 HydrophobicContact SD-CD1 4.26Å; I531-A533 PolarHBondContact O-N 3.06Å; I531-E534 HydrophobicContact CG2-CB 4.07Å; I531-E534 PolarHBondContact O-N 3.16Å; I531-E534 VanDerWaalsContact O-N 3.07Å; I531-I535 HydrophobicContact CB-CD1 4.16Å; I531-I535 HydrophobicContact CG2-CD1 3.86Å; I531-I535 HydrophobicContact CG2-CG1 4.18Å; I531-I535 PolarHBondContact O-N 3.35Å
532H71Confident74.6Confident67 Ų6766.1 Ų66.131%0.3136%0.361SS..Hα-helixtrans-55.8-35.9-178.4-173.8-51.1000112.6E534 G536 D537 W548H532-E534 VanDerWaalsContact C-N 3.28Å; H532-E534 PolarHBondContact O-N 3.37Å; H532-G536 PolarHBondContact O-N 3.08Å; H532-D537 IonicContact CE1-OD2 2.81Å; H532-W548 AromaticContact CD2-CD1 3.76Å; H532-W548 AromaticContact CD2-CG 3.82Å; H532-W548 AromaticContact NE2-CD1 3.8Å
533A67.7Low73.8Confident86 Ų8669.8 Ų69.871%0.71138%0.375SS*.Hα-helixtrans-69.6-20.6-179.300000113.9I531I531-A533 PolarHBondContact O-N 3.06Å
534E69.4Low73.1Confident87 Ų8768.4 Ų68.441%0.40737%0.369SS..Hα-helixtrans-100.2-13.2-179.1-75.880.6-168.300114.1F270 R273 I531 H532F270-E534 HydrophobicContact CD2-CG 4.43Å; R273-E534 IonicContact CZ-OE1 2.88Å; R273-E534 VanDerWaalsContact CZ-OE1 3.24Å; R273-E534 IonicContact CZ-OE2 3.34Å; R273-E534 VanDerWaalsContact NH1-CD 3.26Å; R273-E534 IonicContact NH1-OE1 2.76Å; R273-E534 PolarHBondContact NH1-OE1 3.1Å; R273-E534 IonicContact NH1-OE2 3.58Å; R273-E534 PolarHBondContact NH1-OE2 3.39Å; R273-E534 IonicContact NH2-OE1 3.83Å; R273-E534 PolarHBondContact NH2-OE1 3.46Å; I531-E534 HydrophobicContact CG2-CB 4.07Å; I531-E534 PolarHBondContact O-N 3.16Å; I531-E534 VanDerWaalsContact O-N 3.07Å; H532-E534 VanDerWaalsContact C-N 3.28Å; H532-E534 PolarHBondContact O-N 3.37Å
535I67.5Low72.2Confident108 Ų10868 Ų6855%0.55437%0.373SS*.Hα-helixtrans-112.3-41.1-172.2-60.7172000112.9I531 W548I531-I535 HydrophobicContact CB-CD1 4.16Å; I531-I535 HydrophobicContact CG2-CD1 3.86Å; I531-I535 HydrophobicContact CG2-CG1 4.18Å; I531-I535 PolarHBondContact O-N 3.35Å; I535-W548 HydrophobicContact CB-CH2 4.17Å; I535-W548 HydrophobicContact CB-CZ2 4.28Å; I535-W548 HydrophobicContact CD1-CH2 3.95Å; I535-W548 HydrophobicContact CG2-CH2 3.94Å; I535-W548 HydrophobicContact CG2-CZ2 3.93Å
536G64.9Low71.3Confident31 Ų3169 Ų6932%0.3238%0.379SS..  trans73176.6-17700000115.1H532 P538H532-G536 PolarHBondContact O-N 3.08Å; G536-P538 VanDerWaalsContact O-CD 3.32Å; G536-P538 WeakPolarHBondContact O-CD 3.06Å
537D63Low70.6Confident112 Ų11268.2 Ų68.260%0.59938%0.377SS*.  trans-103.2106.5-171.8-69.6-46.8000113.2H532 W548H532-D537 IonicContact CE1-OD2 2.81Å; D537-W548 PolarHBondContact OD1-NE1 3.4Å
538P67.9Low70.4Confident47 Ų4769.6 Ų69.631%0.30538%0.381SS..  trans-86.5131.8175.835-34.7000111.3G536 W540 M541G536-P538 VanDerWaalsContact O-CD 3.32Å; G536-P538 WeakPolarHBondContact O-CD 3.06Å; P538-W540 HydrophobicContact CB-CG 4.49Å; P538-W540 HydrophobicContact CG-CD2 4.43Å; P538-W540 HydrophobicContact CG-CZ2 3.92Å; P538-W540 PolarHBondContact O-N 2.98Å; P538-M541 HydrophobicContact CG-CG 4.33Å; P538-M541 HydrophobicContact CG-SD 4.11Å; P538-M541 PolarHBondContact O-N 3.33Å
539A68.7Low69.9Low89 Ų8970.4 Ų70.474%0.73639%0.385SS*.THydrogen-bonded Turntrans-56.2-16.2-172.800000116.2M541A539-M541 VanDerWaalsContact C-N 3.33Å
540W75.2Confident69.4Low154 Ų15474.5 Ų74.558%0.58341%0.411SS*.Hα-helixtrans-71.2-23174.863.1-102.8000113.6P538 N542 F543 V544P538-W540 HydrophobicContact CB-CG 4.49Å; P538-W540 HydrophobicContact CG-CD2 4.43Å; P538-W540 HydrophobicContact CG-CZ2 3.92Å; P538-W540 PolarHBondContact O-N 2.98Å; W540-N542 PolarHBondContact O-N 3.04Å; W540-F543 PolarHBondContact O-N 3.49Å; W540-V544 HydrophobicContact CE3-CG2 4.17Å; W540-V544 WeakPolarHBondContact O-CG2 3.24Å; W540-V544 PolarHBondContact O-N 3.09Å
541M69.8Low69.3Low12 Ų1272.4 Ų72.46%0.05940%0.4CS..Hα-helixtrans-61.5-43.7177.7-89.3175.553.300112.1P538 A539 F543 V544 G545 I546 W548P538-M541 HydrophobicContact CG-CG 4.33Å; P538-M541 HydrophobicContact CG-SD 4.11Å; P538-M541 PolarHBondContact O-N 3.33Å; A539-M541 VanDerWaalsContact C-N 3.33Å; M541-F543 PolarHBondContact O-N 2.93Å; M541-V544 PolarHBondContact O-N 3.48Å; M541-G545 PolarHBondContact O-N 2.94Å; M541-I546 HydrophobicContact CE-CG2 4.25Å; M541-I546 WeakPolarHBondContact CE-O 3.49Å; M541-I546 HydrophobicContact CG-CB 4.49Å; M541-I546 PolarHBondContact O-N 3.19Å; M541-W548 HydrophobicContact CE-CD2 4.34Å; M541-W548 HydrophobicContact CE-CG 4.13Å
542N67.2Low69.1Low130 Ų13072.8 Ų72.870%0.69540%0.404SS*.Hα-helixtrans-65-26.1176.5-68.7-9.1000113.3W540W540-N542 PolarHBondContact O-N 3.04Å
543F68.8Low69.4Low145 Ų14570.5 Ų70.564%0.63640%0.395SS*.Hα-helixtrans-80.4-36174.9-176.7-94.9000112.3I484 W540 M541I484-F543 HydrophobicContact CD1-CD1 4.17Å; I484-F543 HydrophobicContact CD1-CE1 4Å; I484-F543 WeakPolarHBondContact CD1-O 3.37Å; W540-F543 PolarHBondContact O-N 3.49Å; M541-F543 PolarHBondContact O-N 2.93Å
544V70.8Confident69.7Low23 Ų2371 Ų7114%0.13938%0.382CS..Hα-helixtrans-81.6-25-178.2174.50000112.8I484 F485 W540 M541 I546I484-V544 PolarHBondContact N-O 3.41Å; F485-V544 HydrophobicContact CD2-CG1 3.98Å; F485-V544 HydrophobicContact CE2-CG1 3.51Å; F485-V544 HydrophobicContact CZ-CG1 4.18Å; W540-V544 HydrophobicContact CE3-CG2 4.17Å; W540-V544 WeakPolarHBondContact O-CG2 3.24Å; W540-V544 PolarHBondContact O-N 3.09Å; M541-V544 PolarHBondContact O-N 3.48Å; V544-I546 HydrophobicContact CG1-CD1 4.05Å; V544-I546 HydrophobicContact CG1-CG1 4.18Å
545G66.1Low70.1Confident24 Ų2466.9 Ų66.925%0.24736%0.363CS..THydrogen-bonded Turntrans82.153-175.100000112S483 M541S483-G545 VanDerWaalsContact CB-O 3.3Å; S483-G545 WeakPolarHBondContact CB-O 3.27Å; M541-G545 PolarHBondContact O-N 2.94Å
546I69.2Low70.8Confident28 Ų2862.5 Ų62.514%0.14434%0.342CS..  trans-127.8133.6172.3-67.8179.6000108.3F485 L523 L527 M541 V544F485-I546 HydrophobicContact CD2-CD1 3.99Å; F485-I546 HydrophobicContact CE2-CD1 3.73Å; L523-I546 HydrophobicContact CD2-CD1 4.31Å; L527-I546 HydrophobicContact CD1-CG2 3.51Å; L527-I546 HydrophobicContact CD2-CG2 4.27Å; M541-I546 HydrophobicContact CE-CG2 4.25Å; M541-I546 WeakPolarHBondContact CE-O 3.49Å; M541-I546 HydrophobicContact CG-CB 4.49Å; M541-I546 PolarHBondContact O-N 3.19Å; V544-I546 HydrophobicContact CG1-CD1 4.05Å; V544-I546 HydrophobicContact CG1-CG1 4.18Å
547E69.4Low71.6Confident112 Ų11265.6 Ų65.652%0.52335%0.35SS..  trans-129.6144.8-177.2-62.4176.1-177.800109R732E547-R732 IonicContact OE1-CZ 3.4Å; E547-R732 IonicContact OE1-NH1 3.17Å; E547-R732 PolarHBondContact OE1-NH1 3.16Å; E547-R732 IonicContact OE1-NH2 3.98Å; E547-R732 PolarHBondContact OE1-NH2 3.05Å; E547-R732 IonicContact OE2-NH2 3.21Å
548W74.9Confident72.6Confident49 Ų4961.9 Ų61.919%0.18633%0.329CS..  trans-73.7146177.7-63.7105.6000111.7L527 H532 I535 D537 M541L527-W548 HydrophobicContact CB-CE3 4.49Å; L527-W548 HydrophobicContact CD2-CD2 4.29Å; L527-W548 HydrophobicContact CD2-CE3 3.78Å; L527-W548 HydrophobicContact CD2-CH2 4.28Å; L527-W548 HydrophobicContact CD2-CZ3 3.79Å; H532-W548 AromaticContact CD2-CD1 3.76Å; H532-W548 AromaticContact CD2-CG 3.82Å; H532-W548 AromaticContact NE2-CD1 3.8Å; I535-W548 HydrophobicContact CB-CH2 4.17Å; I535-W548 HydrophobicContact CB-CZ2 4.28Å; I535-W548 HydrophobicContact CD1-CH2 3.95Å; I535-W548 HydrophobicContact CG2-CH2 3.94Å; I535-W548 HydrophobicContact CG2-CZ2 3.93Å; D537-W548 PolarHBondContact OD1-NE1 3.4Å; M541-W548 HydrophobicContact CE-CD2 4.34Å; M541-W548 HydrophobicContact CE-CG 4.13Å
549T72.1Confident73.4Confident24 Ų2459.6 Ų59.615%0.14732%0.315CS..  trans-11089.1177.761.90000111.4L527 S528 I558L527-T549 PolarHBondContact O-N 2.92Å; L527-T549 PolarHBondContact O-OG1 3.44Å; S528-T549 WeakPolarHBondContact CA-OG1 3.01Å; S528-T549 PolarHBondContact OG-OG1 3.46Å; T549-I558 HydrophobicContact CG2-CD1 3.64Å
550T66.6Low74.1Confident102 Ų10258.1 Ų58.163%0.62630%0.298SS*.  trans-77.7-24.9-177.651.90000114.2
551L71Confident74.6Confident62 Ų6253.1 Ų53.133%0.32529%0.285SS..SBendtrans-84125.3177.9-75.182.9000111.2M305 V553 H554 A555M305-L551 HydrophobicContact CG-CD2 4.1Å; M305-L551 HydrophobicContact SD-CD2 3.58Å; M305-L551 VanDerWaalsContact SD-CD2 3.58Å; L551-V553 VanDerWaalsContact C-N 3.3Å; L551-V553 PolarHBondContact O-N 2.62Å; L551-H554 HydrophobicContact CB-CB 4.15Å; L551-H554 WeakPolarHBondContact CB-ND1 3.15Å; L551-H554 PolarHBondContact O-N 2.94Å; L551-A555 PolarHBondContact O-N 3.2Å; L551-A555 VanDerWaalsContact O-N 3.12Å
552P70Confident75.4Confident37 Ų3752.8 Ų52.824%0.2428%0.283CS..Hα-helixtrans-66.3-29.6-173.125.8-33.9000113.2M305 L309 V556M305-P552 WeakPolarHBondContact O-CG 3.18Å; L309-P552 HydrophobicContact CD1-CG 4.4Å; P552-V556 VanDerWaalsContact O-CG2 3.32Å; P552-V556 WeakPolarHBondContact O-CG2 3.39Å; P552-V556 PolarHBondContact O-N 3.02Å
553V76.5Confident76.1Confident19 Ų1947.2 Ų47.212%0.11525%0.254CS..Hα-helixtrans-70-37174.2169.60000112.1I304 M305 P308 L551 V556 I557I304-V553 WeakPolarHBondContact O-CG2 3.28Å; M305-V553 WeakPolarHBondContact O-CG2 2.94Å; P308-V553 HydrophobicContact CG-CG2 3.58Å; L551-V553 VanDerWaalsContact C-N 3.3Å; L551-V553 PolarHBondContact O-N 2.62Å; V553-V556 PolarHBondContact O-N 3.49Å; V553-I557 HydrophobicContact CG1-CD1 3.78Å; V553-I557 HydrophobicContact CG1-CG1 4.44Å; V553-I557 VanDerWaalsContact O-CG1 3.29Å; V553-I557 WeakPolarHBondContact O-CG1 3.26Å; V553-I557 PolarHBondContact O-N 3.06Å
554H75.5Confident76.8Confident95 Ų9545.3 Ų45.344%0.4425%0.25SC..Hα-helixtrans-66.4-42.8176.1-7371.8000110.6L551 V556 I557 I558L551-H554 HydrophobicContact CB-CB 4.15Å; L551-H554 WeakPolarHBondContact CB-ND1 3.15Å; L551-H554 PolarHBondContact O-N 2.94Å; H554-V556 PolarHBondContact O-N 3.27Å; H554-I557 PolarHBondContact O-N 3.39Å; H554-I558 WeakPolarHBondContact O-CB 3.44Å; H554-I558 WeakPolarHBondContact O-CD1 3.33Å; H554-I558 VanDerWaalsContact O-CG1 3.3Å; H554-I558 WeakPolarHBondContact O-CG1 3.1Å; H554-I558 PolarHBondContact O-N 3.49Å
555A76.2Confident77.5Confident1 Ų145.7 Ų45.71%0.00825%0.251CS..Hα-helixtrans-56.4-47.6171.800000112.6P205 L551 I557 L559P205-A555 HydrophobicContact CG-CB 4.24Å; L551-A555 PolarHBondContact O-N 3.2Å; L551-A555 VanDerWaalsContact O-N 3.12Å; A555-I557 PolarHBondContact O-N 3.36Å; A555-L559 WeakPolarHBondContact O-CB 3.31Å; A555-L559 VanDerWaalsContact O-CG 3.31Å; A555-L559 WeakPolarHBondContact O-CG 3.17Å; A555-L559 PolarHBondContact O-N 3.4Å
556V83Confident78.4Confident17 Ų1744.5 Ų44.510%0.10324%0.239CC..Hα-helixtrans-60-44.9176.8168.40000111.8I202 P308 P552 V553 H554 C560I202-V556 HydrophobicContact CG2-CG1 4.35Å; P308-V556 HydrophobicContact CB-CG2 4.28Å; P308-V556 HydrophobicContact CG-CG2 4.27Å; P552-V556 VanDerWaalsContact O-CG2 3.32Å; P552-V556 WeakPolarHBondContact O-CG2 3.39Å; P552-V556 PolarHBondContact O-N 3.02Å; V553-V556 PolarHBondContact O-N 3.49Å; H554-V556 PolarHBondContact O-N 3.27Å; V556-C560 WeakPolarHBondContact O-CB 3.36Å; V556-C560 PolarHBondContact O-N 3.13Å
557I82.4Confident79.1Confident96 Ų9646.6 Ų46.649%0.49225%0.25SC..Hα-helixtrans-65-50.3-179.8-69.8166.9000110.9V553 H554 A555 C560 V561V553-I557 HydrophobicContact CG1-CD1 3.78Å; V553-I557 HydrophobicContact CG1-CG1 4.44Å; V553-I557 VanDerWaalsContact O-CG1 3.29Å; V553-I557 WeakPolarHBondContact O-CG1 3.26Å; V553-I557 PolarHBondContact O-N 3.06Å; H554-I557 PolarHBondContact O-N 3.39Å; A555-I557 PolarHBondContact O-N 3.36Å; I557-C560 PolarHBondContact O-N 3.1Å; I557-V561 HydrophobicContact CG2-CG2 4.4Å; I557-V561 WeakPolarHBondContact O-CG2 3.26Å; I557-V561 PolarHBondContact O-N 3.15Å
558I82.8Confident79.8Confident33 Ų3342.6 Ų42.617%0.16923%0.234CC..Hα-helixtrans-62.4-48-176.9-69.1164.2000110.4Y481 Q524 T549 H554 C560 V561 Q562Y481-I558 HydrophobicContact CE1-CG1 4.46Å; Y481-I558 HydrophobicContact CE1-CG2 3.99Å; Q524-I558 HydrophobicContact CG-CG2 3.94Å; T549-I558 HydrophobicContact CG2-CD1 3.64Å; H554-I558 WeakPolarHBondContact O-CB 3.44Å; H554-I558 WeakPolarHBondContact O-CD1 3.33Å; H554-I558 VanDerWaalsContact O-CG1 3.3Å; H554-I558 WeakPolarHBondContact O-CG1 3.1Å; H554-I558 PolarHBondContact O-N 3.49Å; I558-C560 VanDerWaalsContact C-N 3.32Å; I558-C560 PolarHBondContact O-N 3.43Å; I558-V561 PolarHBondContact O-N 2.63Å; I558-Q562 HydrophobicContact CG2-CG 4.44Å; I558-Q562 WeakPolarHBondContact O-CB 3.27Å; I558-Q562 WeakPolarHBondContact O-CG 3.33Å; I558-Q562 PolarHBondContact O-N 2.79Å
559L84.4Confident80.2Confident0 Ų040.3 Ų40.30%023%0.225CC..Hα-helixtrans-63.7-35.1176.6-69.7171.2000112.3I202 Q524 Y525 A555 T563I202-L559 HydrophobicContact CG1-CB 4.34Å; I202-L559 HydrophobicContact CG2-CB 3.85Å; I202-L559 HydrophobicContact CG2-CD1 4.46Å; Q524-L559 HydrophobicContact CB-CD2 4.16Å; Q524-L559 HydrophobicContact CG-CD2 3.78Å; Q524-L559 HydrophobicContact CG-CG 4.5Å; Y525-L559 HydrophobicContact CD2-CD1 4.19Å; A555-L559 WeakPolarHBondContact O-CB 3.31Å; A555-L559 VanDerWaalsContact O-CG 3.31Å; A555-L559 WeakPolarHBondContact O-CG 3.17Å; A555-L559 PolarHBondContact O-N 3.4Å; L559-T563 WeakPolarHBondContact O-CB 3.21Å; L559-T563 VanDerWaalsContact O-CG2 3.31Å; L559-T563 WeakPolarHBondContact O-CG2 3.38Å; L559-T563 PolarHBondContact O-N 2.85Å; L559-T563 PolarHBondContact O-OG1 2.84Å
560C85.1Confident80.9Confident57 Ų5739.4 Ų39.439%0.38522%0.219SC..Hα-helixtrans-68.7-46.9175.8-170.40000112.3V556 I557 I558 T563 L564V556-C560 WeakPolarHBondContact O-CB 3.36Å; V556-C560 PolarHBondContact O-N 3.13Å; I557-C560 PolarHBondContact O-N 3.1Å; I558-C560 VanDerWaalsContact C-N 3.32Å; I558-C560 PolarHBondContact O-N 3.43Å; C560-T563 PolarHBondContact O-N 3.46Å; C560-T563 PolarHBondContact O-OG1 3.12Å; C560-T563 VanDerWaalsContact O-OG1 3.11Å; C560-L564 WeakPolarHBondContact O-CB 3.4Å; C560-L564 VanDerWaalsContact O-CG 3.32Å; C560-L564 WeakPolarHBondContact O-CG 3.38Å; C560-L564 PolarHBondContact O-N 3.42Å
561V84.4Confident81.8Confident50 Ų5037.9 Ų37.930%0.30321%0.207SC..Hα-helixtrans-64.3-45.4178.1171.60000110.9Y481 I557 I558 L564 L565Y481-V561 HydrophobicContact CE2-CG1 4.43Å; Y481-V561 WeakPolarHBondContact OH-CG1 3.04Å; I557-V561 HydrophobicContact CG2-CG2 4.4Å; I557-V561 WeakPolarHBondContact O-CG2 3.26Å; I557-V561 PolarHBondContact O-N 3.15Å; I558-V561 PolarHBondContact O-N 2.63Å; V561-L564 PolarHBondContact O-N 3.46Å; V561-L565 HydrophobicContact CG1-CD1 4.09Å; V561-L565 WeakPolarHBondContact O-CG 3.44Å; V561-L565 PolarHBondContact O-N 3.13Å
562Q86.5Confident82.5Confident5 Ų535.1 Ų35.12%0.02319%0.192CC..Hα-helixtrans-61.1-49.9175.8-73.7-176.98.400111.4W477 Y481 L521 I558 L564 L565 T566W477-Q562 HydrophobicContact CH2-CB 3.58Å; W477-Q562 HydrophobicContact CH2-CG 3.62Å; W477-Q562 HydrophobicContact CZ2-CB 4.33Å; W477-Q562 HydrophobicContact CZ2-CG 3.86Å; W477-Q562 HydrophobicContact CZ3-CB 3.83Å; W477-Q562 HydrophobicContact CZ3-CG 4.05Å; W477-Q562 WeakPolarHBondContact CZ3-O 3.43Å; Y481-Q562 HydrophobicContact CD2-CG 4.37Å; Y481-Q562 HydrophobicContact CE2-CG 3.64Å; L521-Q562 HydrophobicContact CD2-CB 3.8Å; I558-Q562 HydrophobicContact CG2-CG 4.44Å; I558-Q562 WeakPolarHBondContact O-CB 3.27Å; I558-Q562 WeakPolarHBondContact O-CG 3.33Å; I558-Q562 PolarHBondContact O-N 2.79Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.83Å; Q562-L565 PolarHBondContact O-N 2.79Å; Q562-L565 VanDerWaalsContact O-N 3.12Å; Q562-T566 VanDerWaalsContact O-CG2 3.25Å; Q562-T566 WeakPolarHBondContact O-CG2 3.28Å; Q562-T566 PolarHBondContact O-N 2.85Å; Q562-T566 VanDerWaalsContact O-N 3.11Å
563T82.8Confident83.4Confident12 Ų1234.1 Ų34.17%0.07419%0.185CC..Hα-helixtrans-61.4-36.8178.949.90000112.7I202 F213 F216 L521 L559 C560 T566I202-T563 HydrophobicContact CD1-CG2 4.24Å; F213-T563 HydrophobicContact CE2-CG2 4.12Å; F216-T563 HydrophobicContact CE1-CG2 4.27Å; L521-T563 HydrophobicContact CD1-CG2 4.28Å; L521-T563 HydrophobicContact CD2-CG2 3.79Å; L559-T563 WeakPolarHBondContact O-CB 3.21Å; L559-T563 VanDerWaalsContact O-CG2 3.31Å; L559-T563 WeakPolarHBondContact O-CG2 3.38Å; L559-T563 PolarHBondContact O-N 2.85Å; L559-T563 PolarHBondContact O-OG1 2.84Å; C560-T563 PolarHBondContact O-N 3.46Å; C560-T563 PolarHBondContact O-OG1 3.12Å; C560-T563 VanDerWaalsContact O-OG1 3.11Å; T563-T566 PolarHBondContact O-N 3.34Å; T563-T566 PolarHBondContact O-OG1 2.92Å
564L83.6Confident83.8Confident105 Ų10536.7 Ų36.755%0.5519%0.192SC..Hα-helixtrans-61.9-45.5172.2-75.4169.6000112.5C560 V561 Q562 T566 L567C560-L564 WeakPolarHBondContact O-CB 3.4Å; C560-L564 VanDerWaalsContact O-CG 3.32Å; C560-L564 WeakPolarHBondContact O-CG 3.38Å; C560-L564 PolarHBondContact O-N 3.42Å; V561-L564 PolarHBondContact O-N 3.46Å; Q562-L564 VanDerWaalsContact C-N 3.31Å; Q562-L564 PolarHBondContact O-N 2.83Å; L564-T566 PolarHBondContact O-N 3.5Å; L564-L567 HydrophobicContact CD2-CD1 4.21Å; L564-L567 PolarHBondContact O-N 3.36Å
565L84.9Confident84.2Confident31 Ų3133 Ų3316%0.16218%0.176CC..Hα-helixtrans-63.9-21.2177.2-71.8171000113.4A473 W477 L480 V561 Q562 P568A473-L565 HydrophobicContact CB-CD2 4.45Å; W477-L565 HydrophobicContact CB-CD1 4.44Å; W477-L565 HydrophobicContact CE3-CB 3.82Å; W477-L565 HydrophobicContact CE3-CD1 4.11Å; W477-L565 HydrophobicContact CZ3-CB 4.2Å; L480-L565 HydrophobicContact CD1-CD1 4.13Å; V561-L565 HydrophobicContact CG1-CD1 4.09Å; V561-L565 WeakPolarHBondContact O-CG 3.44Å; V561-L565 PolarHBondContact O-N 3.13Å; Q562-L565 PolarHBondContact O-N 2.79Å; Q562-L565 VanDerWaalsContact O-N 3.12Å; L565-P568 WeakPolarHBondContact O-CD 3.5Å
566T86Confident84.5Confident0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-78.1-23.3175.272.70000114.6W477 I517 L521 Q562 T563 L564 V569 F570W477-T566 HydrophobicContact CH2-CG2 4.47Å; W477-T566 HydrophobicContact CZ3-CG2 3.94Å; I517-T566 HydrophobicContact CG2-CG2 3.3Å; L521-T566 HydrophobicContact CD1-CG2 3.6Å; L521-T566 HydrophobicContact CD2-CG2 4.49Å; L521-T566 HydrophobicContact CG-CG2 4.11Å; Q562-T566 VanDerWaalsContact O-CG2 3.25Å; Q562-T566 WeakPolarHBondContact O-CG2 3.28Å; Q562-T566 PolarHBondContact O-N 2.85Å; Q562-T566 VanDerWaalsContact O-N 3.11Å; T563-T566 PolarHBondContact O-N 3.34Å; T563-T566 PolarHBondContact O-OG1 2.92Å; L564-T566 PolarHBondContact O-N 3.5Å; T566-V569 WeakPolarHBondContact O-CA 3.49Å; T566-V569 WeakPolarHBondContact O-CB 3.11Å; T566-V569 PolarHBondContact O-N 3.22Å; T566-F570 WeakPolarHBondContact O-CD2 3.28Å; T566-F570 PolarHBondContact O-N 3.15Å; T566-F570 WeakPolarHBondContact OG1-CE2 3.35Å
567L82.6Confident84.6Confident71 Ų7138.9 Ų38.937%0.37220%0.2SC..Hα-helixtrans-59.5-39.8-173.8-62.1177.5000113.8L564 V569 L571L564-L567 HydrophobicContact CD2-CD1 4.21Å; L564-L567 PolarHBondContact O-N 3.36Å; L567-V569 PolarHBondContact O-N 3.45Å; L567-L571 WeakPolarHBondContact O-CB 3.25Å; L567-L571 PolarHBondContact O-N 2.98Å; L567-L571 VanDerWaalsContact O-N 3.08Å
568P84.3Confident84.4Confident29 Ų2935.6 Ų35.619%0.18818%0.181CC..Hα-helixtrans-59.8-29.1170.3-25.235.9000114.1I469 A470 A473 L565 L572I469-P568 HydrophobicContact CG2-CB 4.3Å; I469-P568 HydrophobicContact CG2-CG 4.22Å; A470-P568 HydrophobicContact CB-CB 4.26Å; A473-P568 HydrophobicContact CB-CB 4.45Å; A473-P568 HydrophobicContact CB-CG 4.28Å; L565-P568 WeakPolarHBondContact O-CD 3.5Å; P568-L572 WeakPolarHBondContact O-CB 3.29Å; P568-L572 PolarHBondContact O-N 3.32Å
569V84.6Confident84.1Confident1 Ų135.8 Ų35.81%0.00618%0.181CC..Hα-helixtrans-80.6-42.1-178.8-171.80000111.4I513 L514 I517 T566 L567 L571 L572 L573I513-V569 HydrophobicContact CG2-CG1 3.81Å; L514-V569 HydrophobicContact CB-CG1 4.14Å; L514-V569 HydrophobicContact CD1-CB 4.37Å; L514-V569 HydrophobicContact CD1-CG1 3.91Å; I517-V569 HydrophobicContact CD1-CG1 4.32Å; I517-V569 HydrophobicContact CD1-CG2 3.94Å; T566-V569 WeakPolarHBondContact O-CA 3.49Å; T566-V569 WeakPolarHBondContact O-CB 3.11Å; T566-V569 PolarHBondContact O-N 3.22Å; L567-V569 PolarHBondContact O-N 3.45Å; V569-L571 PolarHBondContact O-N 3.2Å; V569-L572 WeakPolarHBondContact O-CB 3.43Å; V569-L572 PolarHBondContact O-N 3.05Å; V569-L572 VanDerWaalsContact O-N 3.11Å; V569-L573 PolarHBondContact O-N 3.49Å
570F86.8Confident83.7Confident4 Ų442.7 Ų42.72%0.01821%0.211CC..Hα-helixtrans-57.1-38.9168.2-75.9-70.6000111.3L514 E518 T566 R574L514-F570 HydrophobicContact CD1-CD1 3.76Å; L514-F570 HydrophobicContact CD1-CD2 4.37Å; L514-F570 HydrophobicContact CD1-CE1 3.78Å; L514-F570 HydrophobicContact CD1-CE2 4.38Å; L514-F570 HydrophobicContact CD1-CG 4.07Å; L514-F570 HydrophobicContact CD1-CZ 4.1Å; L514-F570 HydrophobicContact CD2-CD1 3.87Å; L514-F570 HydrophobicContact CD2-CE1 4.03Å; L514-F570 HydrophobicContact CG-CD1 4.45Å; L514-F570 HydrophobicContact CG-CE1 4.38Å; E518-F570 HydrophobicContact CG-CZ 4.45Å; E518-F570 WeakPolarHBondContact OE1-CE1 3.25Å; T566-F570 WeakPolarHBondContact O-CD2 3.28Å; T566-F570 PolarHBondContact O-N 3.15Å; T566-F570 WeakPolarHBondContact OG1-CE2 3.35Å; F570-R574 WeakPolarHBondContact O-CB 3.24Å; F570-R574 PolarHBondContact O-N 3.49Å
571L84Confident83.2Confident71 Ų7143.5 Ų43.537%0.37221%0.209SC..Hα-helixtrans-69.4-37.6174.4-175.5145.8000112.5L567 V569 R574 L575L567-L571 WeakPolarHBondContact O-CB 3.25Å; L567-L571 PolarHBondContact O-N 2.98Å; L567-L571 VanDerWaalsContact O-N 3.08Å; V569-L571 PolarHBondContact O-N 3.2Å; L571-R574 PolarHBondContact O-N 2.81Å; L571-L575 HydrophobicContact CD2-CD1 3.6Å; L571-L575 HydrophobicContact CD2-CG 4.1Å; L571-L575 WeakPolarHBondContact O-CG 3.34Å; L571-L575 PolarHBondContact O-N 3.14Å
572L86.9Confident82.4Confident4 Ų442.6 Ų42.62%0.02120%0.2CC..Hα-helixtrans-58.7-49.5174.6-169.578.4000111.2A470 F507 A510 P568 V569 L575 A576A470-L572 HydrophobicContact CB-CB 4.31Å; A470-L572 HydrophobicContact CB-CD1 4.04Å; A470-L572 HydrophobicContact CB-CD2 4.18Å; A470-L572 HydrophobicContact CB-CG 4.42Å; F507-L572 HydrophobicContact CD1-CD1 3.78Å; F507-L572 HydrophobicContact CD1-CG 4.29Å; F507-L572 HydrophobicContact CE1-CD1 3.67Å; A510-L572 HydrophobicContact CB-CD2 3.71Å; A510-L572 HydrophobicContact CB-CG 3.93Å; P568-L572 WeakPolarHBondContact O-CB 3.29Å; P568-L572 PolarHBondContact O-N 3.32Å; V569-L572 WeakPolarHBondContact O-CB 3.43Å; V569-L572 PolarHBondContact O-N 3.05Å; V569-L572 VanDerWaalsContact O-N 3.11Å; L572-L575 PolarHBondContact O-N 2.99Å; L572-A576 WeakPolarHBondContact O-CB 3.22Å; L572-A576 PolarHBondContact O-N 3.07Å
573L87.6Confident81.5Confident15 Ų1547.3 Ų47.38%0.07922%0.222CC..Hα-helixtrans-65-39.9176.6-177.659.1000111.5P511 L514 V569 L575 A576 R577P511-L573 HydrophobicContact CB-CD1 4Å; L514-L573 HydrophobicContact CD2-CB 4.35Å; L514-L573 HydrophobicContact CD2-CD2 3.47Å; L514-L573 VanDerWaalsContact CD2-CD2 3.47Å; V569-L573 PolarHBondContact O-N 3.49Å; L573-L575 PolarHBondContact O-N 3.42Å; L573-A576 PolarHBondContact O-N 3.08Å; L573-R577 HydrophobicContact CD1-CG 3.97Å; L573-R577 HydrophobicContact CG-CG 4.21Å; L573-R577 WeakPolarHBondContact O-CB 3.42Å; L573-R577 VanDerWaalsContact O-CG 3.32Å; L573-R577 WeakPolarHBondContact O-CG 3.38Å; L573-R577 PolarHBondContact O-N 3.13Å
574R86Confident80.9Confident73 Ų7351 Ų5128%0.27525%0.248SC..Hα-helixtrans-61.6-41.7176.1-171.1174.4166.4101.1-8.8112.4W223 S224 F570 L571 R578W223-R574 HydrophobicContact CZ3-CB 4.36Å; W223-R574 PolarHBondContact O-NH1 2.7Å; S224-R574 VanDerWaalsContact O-CA 3.29Å; S224-R574 WeakPolarHBondContact O-CA 3.32Å; F570-R574 WeakPolarHBondContact O-CB 3.24Å; F570-R574 PolarHBondContact O-N 3.49Å; L571-R574 PolarHBondContact O-N 2.81Å; R574-R578 WeakPolarHBondContact O-CB 3.46Å; R574-R578 PolarHBondContact O-N 3.38Å
575L82.9Confident80Confident19 Ų1946.7 Ų46.710%0.09923%0.226CC..Hα-helixtrans-67.5-43.6175.7-72.8-179.2000111.6I463 S466 L571 L572 L573 R578 E579I463-L575 HydrophobicContact CG2-CD2 4.22Å; S466-L575 WeakPolarHBondContact OG-CD1 3.18Å; L571-L575 HydrophobicContact CD2-CD1 3.6Å; L571-L575 HydrophobicContact CD2-CG 4.1Å; L571-L575 WeakPolarHBondContact O-CG 3.34Å; L571-L575 PolarHBondContact O-N 3.14Å; L572-L575 PolarHBondContact O-N 2.99Å; L573-L575 PolarHBondContact O-N 3.42Å; L575-R578 PolarHBondContact O-N 2.8Å; L575-E579 WeakPolarHBondContact O-CB 3.37Å; L575-E579 PolarHBondContact O-N 3.41Å
576A83.4Confident79Confident17 Ų1747.7 Ų47.714%0.1424%0.235CC..Hα-helixtrans-61.9-44.317600000112.3F507 L572 L573 K580F507-A576 HydrophobicContact CB-CB 4.15Å; F507-A576 HydrophobicContact CG-CB 4.3Å; L572-A576 WeakPolarHBondContact O-CB 3.22Å; L572-A576 PolarHBondContact O-N 3.07Å; L573-A576 PolarHBondContact O-N 3.08Å; A576-K580 WeakPolarHBondContact O-CB 3.36Å; A576-K580 PolarHBondContact O-N 2.98Å
577R84.1Confident77.6Confident123 Ų12351.5 Ų51.546%0.46426%0.255SS..Hα-helixtrans-65.7-40.3175.3-72.3-71.9179.7171.80.3112.1L573 K580 F581L573-R577 HydrophobicContact CD1-CG 3.97Å; L573-R577 HydrophobicContact CG-CG 4.21Å; L573-R577 WeakPolarHBondContact O-CB 3.42Å; L573-R577 VanDerWaalsContact O-CG 3.32Å; L573-R577 WeakPolarHBondContact O-CG 3.38Å; L573-R577 PolarHBondContact O-N 3.13Å; R577-K580 PolarHBondContact O-N 3.28Å; R577-F581 WeakPolarHBondContact O-CB 3.25Å; R577-F581 PolarHBondContact O-N 3Å
578R78.8Confident76.3Confident28 Ų2855.9 Ų55.911%0.10627%0.268CS..Hα-helixtrans-66.2-43.4176.4-176.2-16879.2156.613.6112.3Y226 S427 D431 R574 L575 F581 Y582Y226-R578 HydrophobicContact CD2-CB 3.98Å; Y226-R578 HydrophobicContact CD2-CG 4.17Å; Y226-R578 HydrophobicContact CE2-CB 4Å; Y226-R578 HydrophobicContact CE2-CG 3.66Å; Y226-R578 HydrophobicContact CG-CB 4.39Å; S427-R578 PolarHBondContact OG-NH2 3.11Å; D431-R578 IonicContact OD1-CZ 3.44Å; D431-R578 IonicContact OD1-NH1 2.73Å; D431-R578 PolarHBondContact OD1-NH1 3.44Å; D431-R578 IonicContact OD1-NH2 3.2Å; D431-R578 IonicContact OD2-CZ 3.57Å; D431-R578 IonicContact OD2-NH1 3.74Å; D431-R578 PolarHBondContact OD2-NH1 3.3Å; D431-R578 IonicContact OD2-NH2 2.74Å; D431-R578 PolarHBondContact OD2-NH2 3.43Å; R574-R578 WeakPolarHBondContact O-CB 3.46Å; R574-R578 PolarHBondContact O-N 3.38Å; L575-R578 PolarHBondContact O-N 2.8Å; R578-F581 PolarHBondContact O-N 3.25Å; R578-Y582 HydrophobicContact CG-CD2 3.84Å; R578-Y582 HydrophobicContact CG-CE2 3.75Å; R578-Y582 VanDerWaalsContact O-CD2 3.26Å; R578-Y582 WeakPolarHBondContact O-CD2 3.29Å; R578-Y582 PolarHBondContact O-N 2.91Å
579E75.7Confident75.2Confident37 Ų3758.7 Ų58.717%0.17328%0.279CS..Hα-helixtrans-64.3-45.4176.7-162.3156.8-155.400109.7R503 F507 L575 F581 Y582 E583R503-E579 IonicContact CZ-OE1 3.16Å; R503-E579 IonicContact CZ-OE2 3.91Å; R503-E579 IonicContact NH1-OE1 3.99Å; R503-E579 IonicContact NH2-OE1 2.76Å; R503-E579 PolarHBondContact NH2-OE1 3.14Å; R503-E579 IonicContact NH2-OE2 2.81Å; R503-E579 PolarHBondContact NH2-OE2 2.97Å; F507-E579 WeakPolarHBondContact CE2-OE2 3.37Å; L575-E579 WeakPolarHBondContact O-CB 3.37Å; L575-E579 PolarHBondContact O-N 3.41Å; E579-F581 VanDerWaalsContact C-N 3.32Å; E579-F581 PolarHBondContact O-N 3.42Å; E579-Y582 PolarHBondContact O-N 3.18Å; E579-E583 WeakPolarHBondContact O-CG 3.38Å; E579-E583 PolarHBondContact O-N 3.37Å
580K77.7Confident74Confident144 Ų14460 Ų6063%0.62628%0.283SS*.Hα-helixtrans-60.9-34.8173.2-165.3167-174.1171.80113.6A576 R577 E583 S584A576-K580 WeakPolarHBondContact O-CB 3.36Å; A576-K580 PolarHBondContact O-N 2.98Å; R577-K580 PolarHBondContact O-N 3.28Å; K580-E583 CarbonylContact O-C 3.58Å; K580-E583 PolarHBondContact O-N 3.37Å; K580-S584 WeakPolarHBondContact O-CB 3.32Å; K580-S584 PolarHBondContact O-N 2.8Å; K580-S584 PolarHBondContact O-OG 3.35Å
581F73.2Confident72.3Confident75 Ų7563.7 Ų63.733%0.32930%0.301SS..Hα-helixtrans-68.9-42.9173.5174-93.1000112.7Y226 R577 R578 E579 E583 S584 L585Y226-F581 HydrophobicContact CD1-CB 4.22Å; Y226-F581 HydrophobicContact CD1-CD1 4.32Å; Y226-F581 HydrophobicContact CD1-CG 4.11Å; Y226-F581 HydrophobicContact CE1-CB 4.23Å; Y226-F581 AromaticContact CE1-CD1 3.56Å; Y226-F581 HydrophobicContact CE1-CD1 3.56Å; Y226-F581 HydrophobicContact CE1-CD2 4.43Å; Y226-F581 AromaticContact CE1-CE1 3.97Å; Y226-F581 HydrophobicContact CE1-CE1 3.97Å; Y226-F581 AromaticContact CE1-CG 3.81Å; Y226-F581 HydrophobicContact CE1-CG 3.81Å; R577-F581 WeakPolarHBondContact O-CB 3.25Å; R577-F581 PolarHBondContact O-N 3Å; R578-F581 PolarHBondContact O-N 3.25Å; E579-F581 VanDerWaalsContact C-N 3.32Å; E579-F581 PolarHBondContact O-N 3.42Å; F581-E583 PolarHBondContact O-N 2.96Å; F581-S584 WeakPolarHBondContact CA-OG 3.27Å; F581-S584 PolarHBondContact O-N 3.36Å; F581-S584 VanDerWaalsContact O-N 3.1Å; F581-S584 PolarHBondContact O-OG 3.37Å; F581-L585 HydrophobicContact CD1-CD1 4.16Å; F581-L585 HydrophobicContact CE1-CD1 3.64Å; F581-L585 HydrophobicContact CE1-CG 4.2Å; F581-L585 HydrophobicContact CZ-CD1 4.14Å; F581-L585 HydrophobicContact CZ-CD2 4.47Å; F581-L585 HydrophobicContact CZ-CG 4.24Å; F581-L585 PolarHBondContact O-N 2.71Å; F581-L585 VanDerWaalsContact O-N 3.13Å
582Y68.9Low70.9Confident31 Ų3168.4 Ų68.412%0.12231%0.314CS..Hα-helixtrans-68.7-20.7173.5-80-65.3000112.8V430 R578 E579 L585 R590V430-Y582 HydrophobicContact CB-CE1 4.48Å; V430-Y582 HydrophobicContact CG1-CE1 4.21Å; V430-Y582 HydrophobicContact CG2-CE1 4.18Å; R578-Y582 HydrophobicContact CG-CD2 3.84Å; R578-Y582 HydrophobicContact CG-CE2 3.75Å; R578-Y582 VanDerWaalsContact O-CD2 3.26Å; R578-Y582 WeakPolarHBondContact O-CD2 3.29Å; R578-Y582 PolarHBondContact O-N 2.91Å; E579-Y582 PolarHBondContact O-N 3.18Å; Y582-L585 HydrophobicContact CD1-CD1 3.91Å; Y582-L585 HydrophobicContact CE1-CD1 4.23Å; Y582-R590 PolarHBondContact O-NH2 3.09Å
583E67.7Low69.2Low103 Ų10373.2 Ų73.248%0.48133%0.332SS..Hα-helixtrans-82.6-19.1168.4-69.5-169.813000114.4K424 E579 K580 F581K424-E583 IonicContact NZ-OE1 3.87Å; K424-E583 PolarHBondContact NZ-OE1 3.08Å; E579-E583 WeakPolarHBondContact O-CG 3.38Å; E579-E583 PolarHBondContact O-N 3.37Å; K580-E583 CarbonylContact O-C 3.58Å; K580-E583 PolarHBondContact O-N 3.37Å; F581-E583 PolarHBondContact O-N 2.96Å
584S70Confident67.5Low89 Ų8974 Ų7462%0.62234%0.335SS*.Hα-helixtrans-101.2-9.6-178.772.40000115.3K580 F581K580-S584 WeakPolarHBondContact O-CB 3.32Å; K580-S584 PolarHBondContact O-N 2.8Å; K580-S584 PolarHBondContact O-OG 3.35Å; F581-S584 WeakPolarHBondContact CA-OG 3.27Å; F581-S584 PolarHBondContact O-N 3.36Å; F581-S584 VanDerWaalsContact O-N 3.1Å; F581-S584 PolarHBondContact O-OG 3.37Å
585L64.5Low65.9Low16 Ų1675.8 Ų75.88%0.08435%0.351CS..SBendtrans-63.6131.6169.6-88.1158000110.2F581 Y582 E589 R590F581-L585 HydrophobicContact CD1-CD1 4.16Å; F581-L585 HydrophobicContact CE1-CD1 3.64Å; F581-L585 HydrophobicContact CE1-CG 4.2Å; F581-L585 HydrophobicContact CZ-CD1 4.14Å; F581-L585 HydrophobicContact CZ-CD2 4.47Å; F581-L585 HydrophobicContact CZ-CG 4.24Å; F581-L585 PolarHBondContact O-N 2.71Å; F581-L585 VanDerWaalsContact O-N 3.13Å; Y582-L585 HydrophobicContact CD1-CD1 3.91Å; Y582-L585 HydrophobicContact CE1-CD1 4.23Å; L585-E589 HydrophobicContact CD2-CB 3.78Å; L585-R590 HydrophobicContact CB-CG 4.09Å
586S63.9Low64.4Low52 Ų5278.1 Ų78.136%0.36437%0.369SS..  trans-63.5152.317367.80000111Y588 E589 R590S586-Y588 PolarHBondContact O-N 2.93Å; S586-E589 WeakPolarHBondContact CB-OE2 3.47Å; S586-E589 PolarHBondContact N-OE2 3.43Å; S586-E589 VanDerWaalsContact N-OE2 3.08Å; S586-E589 PolarHBondContact O-N 3.4Å; S586-E589 VanDerWaalsContact O-N 3.09Å; S586-E589 WeakPolarHBondContact OG-CB 3.31Å; S586-E589 VanDerWaalsContact OG-CD 3.3Å; S586-E589 WeakPolarHBondContact OG-CG 3.24Å; S586-E589 PolarHBondContact OG-N 3.49Å; S586-E589 PolarHBondContact OG-OE2 2.89Å; S586-R590 PolarHBondContact O-N 3.14Å
587D56Low62.6Low79 Ų7983.7 Ų83.742%0.42239%0.387SS..Hα-helixtrans-64-27.9179.9-72.9-41.7000112.2R590 Q591D587-R590 WeakPolarHBondContact OD1-CD 3.44Å; D587-R590 IonicContact OD1-CZ 2.71Å; D587-R590 IonicContact OD1-NH1 2.74Å; D587-R590 PolarHBondContact OD1-NH1 3.45Å; D587-Q591 WeakPolarHBondContact O-CB 3.47Å; D587-Q591 PolarHBondContact O-N 2.96Å
588Y55.4Low60.3Low164 Ų16481.1 Ų81.164%0.64340%0.399SS*.Hα-helixtrans-65.7-44.5170.4176.7-96.9000112.6S586 Q591 R592S586-Y588 PolarHBondContact O-N 2.93Å; Y588-Q591 PolarHBondContact O-N 3.29Å; Y588-R592 WeakPolarHBondContact O-CB 3.39Å; Y588-R592 PolarHBondContact O-N 2.8Å
589E60.7Low58.6Low87 Ų8785.4 Ų85.441%0.40743%0.429SS..Hα-helixtrans-68.4-35176.9-69.7166.3110.900112.4L585 S586 R593L585-E589 HydrophobicContact CD2-CB 3.78Å; S586-E589 WeakPolarHBondContact CB-OE2 3.47Å; S586-E589 PolarHBondContact N-OE2 3.43Å; S586-E589 VanDerWaalsContact N-OE2 3.08Å; S586-E589 PolarHBondContact O-N 3.4Å; S586-E589 VanDerWaalsContact O-N 3.09Å; S586-E589 WeakPolarHBondContact OG-CB 3.31Å; S586-E589 VanDerWaalsContact OG-CD 3.3Å; S586-E589 WeakPolarHBondContact OG-CG 3.24Å; S586-E589 PolarHBondContact OG-N 3.49Å; S586-E589 PolarHBondContact OG-OE2 2.89Å; E589-R593 WeakPolarHBondContact O-CG 3.48Å; E589-R593 PolarHBondContact O-N 2.91Å
590R58.8Low56.5Low28 Ų2889.2 Ų89.211%0.10645%0.445CS..Hα-helixtrans-57.7-54.8166.8-77.1171.6164.7172.62.5110.1Y582 L585 S586 D587 R592 R593 I594Y582-R590 PolarHBondContact O-NH2 3.09Å; L585-R590 HydrophobicContact CB-CG 4.09Å; S586-R590 PolarHBondContact O-N 3.14Å; D587-R590 WeakPolarHBondContact OD1-CD 3.44Å; D587-R590 IonicContact OD1-CZ 2.71Å; D587-R590 IonicContact OD1-NH1 2.74Å; D587-R590 PolarHBondContact OD1-NH1 3.45Å; R590-R592 VanDerWaalsContact C-N 3.29Å; R590-R592 PolarHBondContact O-N 2.95Å; R590-R593 PolarHBondContact O-N 3.22Å; R590-I594 HydrophobicContact CB-CD1 4.38Å; R590-I594 VanDerWaalsContact O-CB 3.27Å; R590-I594 WeakPolarHBondContact O-CB 3.41Å; R590-I594 WeakPolarHBondContact O-CD1 3.34Å; R590-I594 WeakPolarHBondContact O-CG1 3.13Å; R590-I594 PolarHBondContact O-N 2.92Å
591Q52.9Low54.4Low82 Ų8286.2 Ų86.238%0.38346%0.455SS..Hα-helixtrans-58.1-40.5-178.6-140.276.2-19.900112.1D587 Y588 I594 N595D587-Q591 WeakPolarHBondContact O-CB 3.47Å; D587-Q591 PolarHBondContact O-N 2.96Å; Y588-Q591 PolarHBondContact O-N 3.29Å; Q591-I594 WeakPolarHBondContact O-CB 3.38Å; Q591-I594 PolarHBondContact O-N 3.32Å; Q591-N595 WeakPolarHBondContact O-CB 3.26Å; Q591-N595 VanDerWaalsContact O-CG 3.29Å; Q591-N595 PolarHBondContact O-N 2.89Å
592R53.4Low52.4Low170 Ų17087.3 Ų87.364%0.64248%0.478SS*.Hα-helixtrans-66.1-46.3178.5-171.3172.1178.4170.2-0.9112.1Y588 R590 I594 N595 S596Y588-R592 WeakPolarHBondContact O-CB 3.39Å; Y588-R592 PolarHBondContact O-N 2.8Å; R590-R592 VanDerWaalsContact C-N 3.29Å; R590-R592 PolarHBondContact O-N 2.95Å; R592-I594 VanDerWaalsContact C-N 3.28Å; R592-I594 PolarHBondContact O-N 3.3Å; R592-N595 PolarHBondContact O-N 2.72Å; R592-S596 PolarHBondContact O-N 3.48Å; R592-S596 VanDerWaalsContact O-N 3.16Å; R592-S596 PolarHBondContact O-OG 2.83Å
593R52.4Low50.7Low105 Ų10591.9 Ų91.940%0.39651%0.514SS..Hα-helixtrans-68.5-25.5174.1-66.7-176.6-165.6-97.43.9112.8E350 E589 R590 S596 Y597E350-R593 IonicContact OE1-CZ 2.68Å; E350-R593 IonicContact OE1-NH1 3.89Å; E350-R593 PolarHBondContact OE1-NH1 3.48Å; E350-R593 IonicContact OE1-NH2 2.61Å; E350-R593 PolarHBondContact OE1-NH2 3.46Å; E350-R593 VanDerWaalsContact OE1-NH2 3.1Å; E589-R593 WeakPolarHBondContact O-CG 3.48Å; E589-R593 PolarHBondContact O-N 2.91Å; R590-R593 PolarHBondContact O-N 3.22Å; R593-S596 PolarHBondContact O-OG 2.85Å; R593-Y597 WeakPolarHBondContact O-CD2 3.47Å; R593-Y597 WeakPolarHBondContact O-CE2 3.47Å
594I51.8Low48.9Very low31 Ų3195.9 Ų95.916%0.15953%0.53CS..Hα-helixtrans-71.8-46.3174.3-79.5167.8000110.2R590 Q591 R592 Y597 F600R590-I594 HydrophobicContact CB-CD1 4.38Å; R590-I594 VanDerWaalsContact O-CB 3.27Å; R590-I594 WeakPolarHBondContact O-CB 3.41Å; R590-I594 WeakPolarHBondContact O-CD1 3.34Å; R590-I594 WeakPolarHBondContact O-CG1 3.13Å; R590-I594 PolarHBondContact O-N 2.92Å; Q591-I594 WeakPolarHBondContact O-CB 3.38Å; Q591-I594 PolarHBondContact O-N 3.32Å; R592-I594 VanDerWaalsContact C-N 3.28Å; R592-I594 PolarHBondContact O-N 3.3Å; I594-Y597 PolarHBondContact O-N 2.61Å; I594-Y597 VanDerWaalsContact O-N 3.14Å; I594-F600 HydrophobicContact CB-CD2 4.47Å; I594-F600 HydrophobicContact CB-CE2 4.32Å; I594-F600 HydrophobicContact CG1-CZ 4.36Å; I594-F600 HydrophobicContact CG2-CB 4.18Å; I594-F600 HydrophobicContact CG2-CD1 3.91Å; I594-F600 HydrophobicContact CG2-CD2 3.49Å; I594-F600 VanDerWaalsContact CG2-CD2 3.49Å; I594-F600 HydrophobicContact CG2-CE1 4.14Å; I594-F600 HydrophobicContact CG2-CE2 3.74Å; I594-F600 HydrophobicContact CG2-CG 3.57Å; I594-F600 HydrophobicContact CG2-CZ 4.06Å; I594-F600 WeakPolarHBondContact O-CD2 3.11Å; I594-F600 WeakPolarHBondContact O-CE2 3.39Å
595N51.3Low47.3Very low111 Ų11198.6 Ų98.659%0.59454%0.543SS*.Hα-helixtrans-68.8-34.2-178.9-71.9-4000113Q591 R592 Y597 G598Q591-N595 WeakPolarHBondContact O-CB 3.26Å; Q591-N595 VanDerWaalsContact O-CG 3.29Å; Q591-N595 PolarHBondContact O-N 2.89Å; R592-N595 PolarHBondContact O-N 2.72Å; N595-Y597 PolarHBondContact O-N 3.4Å; N595-Y597 VanDerWaalsContact O-N 3.14Å; N595-G598 PolarHBondContact O-N 3.43Å
596S51.8Low45.7Very low69 Ų69101.7 Ų101.748%0.48358%0.579SS.*THydrogen-bonded Turntrans-68.6-5.1173.263.30000114.1R592 R593R592-S596 PolarHBondContact O-N 3.48Å; R592-S596 VanDerWaalsContact O-N 3.16Å; R592-S596 PolarHBondContact O-OG 2.83Å; R593-S596 PolarHBondContact O-OG 2.85Å
597Y45.7Very low44.1Very low133 Ų133104.5 Ų104.552%0.52261%0.605SS.*THydrogen-bonded Turntrans-105.717.3168-60.2-48.4000113.6R593 I594 N595 T599R593-Y597 WeakPolarHBondContact O-CD2 3.47Å; R593-Y597 WeakPolarHBondContact O-CE2 3.47Å; I594-Y597 PolarHBondContact O-N 2.61Å; I594-Y597 VanDerWaalsContact O-N 3.14Å; N595-Y597 PolarHBondContact O-N 3.4Å; N595-Y597 VanDerWaalsContact O-N 3.14Å; Y597-T599 VanDerWaalsContact C-N 3.31Å; Y597-T599 PolarHBondContact O-N 2.99Å; Y597-T599 PolarHBondContact O-OG1 3.46Å
598G35.1Very low42.8Very low70 Ų70105 Ų10572%0.72263%0.628SS**  trans65.81147.400000120.4N595N595-G598 PolarHBondContact O-N 3.43Å
599T42.7Very low41.5Very low118 Ų118100.2 Ų100.272%0.72463%0.63SS**  trans-134.59.9-163.146.60000116.7Y597 G601Y597-T599 VanDerWaalsContact C-N 3.31Å; Y597-T599 PolarHBondContact O-N 2.99Å; Y597-T599 PolarHBondContact O-OG1 3.46Å; T599-G601 VanDerWaalsContact C-N 3.29Å; T599-G601 PolarHBondContact O-N 3.38Å; T599-G601 VanDerWaalsContact O-N 3.15Å
600F33.3Very low40.2Very low116 Ų116102.1 Ų102.151%0.50965%0.647SS.*  trans-84.121.1-170.9-75.6-92.2000116.3I594I594-F600 HydrophobicContact CB-CD2 4.47Å; I594-F600 HydrophobicContact CB-CE2 4.32Å; I594-F600 HydrophobicContact CG1-CZ 4.36Å; I594-F600 HydrophobicContact CG2-CB 4.18Å; I594-F600 HydrophobicContact CG2-CD1 3.91Å; I594-F600 HydrophobicContact CG2-CD2 3.49Å; I594-F600 VanDerWaalsContact CG2-CD2 3.49Å; I594-F600 HydrophobicContact CG2-CE1 4.14Å; I594-F600 HydrophobicContact CG2-CE2 3.74Å; I594-F600 HydrophobicContact CG2-CG 3.57Å; I594-F600 HydrophobicContact CG2-CZ 4.06Å; I594-F600 WeakPolarHBondContact O-CD2 3.11Å; I594-F600 WeakPolarHBondContact O-CE2 3.39Å
601G33Very low38.9Very low81 Ų81105.9 Ų105.984%0.83568%0.684SS**  trans-81-18.4-165.300000118.6T599T599-G601 VanDerWaalsContact C-N 3.29Å; T599-G601 PolarHBondContact O-N 3.38Å; T599-G601 VanDerWaalsContact O-N 3.15Å
602A30.9Very low38.3Very low99 Ų99106.2 Ų106.282%0.81869%0.692SS**  trans-145.278.2-16100000116.8
603S33.3Very low37.5Very low126 Ų126102 Ų10288%0.88169%0.693SS**  trans-164.4139.8147.7-167.50000112.1
604K30.8Very low36.9Very low188 Ų188107.3 Ų107.382%0.81772%0.719SS**  trans-131.4146.9174-92.8-175.8175.9178.30111.2
605T35.5Very low36.2Very low145 Ų145110.1 Ų110.189%0.8973%0.734SS**  trans56.9129.2155.652.20000120.4
606G31.1Very low35.9Very low81 Ų81109.2 Ų109.284%0.83574%0.735SS**  trans148.697.5164.400000114.4
607A31.2Very low35.2Very low112 Ų112114.2 Ų114.293%0.92675%0.748SS**  trans-62.9160.1-174.400000115.8
608G28Very low35.2Very low88 Ų88109.3 Ų109.391%0.90773%0.733SS**SBendtrans132.7-68.8149.900000116.8
609G27.5Very low35.9Very low65 Ų65116 Ų11667%0.6774%0.736SS**SBendtrans-173.8154.9-171.600000115.1A611G609-A611 PolarHBondContact O-N 2.92Å
610V33.9Very low36.2Very low126 Ų126117.8 Ų117.876%0.76473%0.734SS**  trans2664.2166.2-167.80000115.2V612V610-V612 VanDerWaalsContact C-N 3.3Å; V610-V612 HydrophobicContact CG1-CG2 3.89Å; V610-V612 PolarHBondContact O-N 3.2Å
611A31.1Very low37Very low108 Ų108119.1 Ų119.189%0.89374%0.74SS**  trans-74.176.3179.800000112.2G609G609-A611 PolarHBondContact O-N 2.92Å
612V40.5Very low37.7Very low89 Ų89117.2 Ų117.254%0.53972%0.716SS.*  trans-87.1128171.7-177.50000109.4V610 K614V610-V612 VanDerWaalsContact C-N 3.3Å; V610-V612 HydrophobicContact CG1-CG2 3.89Å; V610-V612 PolarHBondContact O-N 3.2Å; V612-K614 PolarHBondContact O-N 3.29Å
613A37Very low39Very low81 Ų81115 Ų11567%0.66970%0.698SS**  trans-68.9127.7-168.900000113.5D615A613-D615 PolarHBondContact O-N 3.16Å
614K38.6Very low40.3Very low216 Ų216114.5 Ų114.594%0.93968%0.68SS**SBendtrans34.2-16.7156-75.3-172171.9-175.30123.2V612V612-K614 PolarHBondContact O-N 3.29Å
615D38.8Very low41.5Very low91 Ų91108.8 Ų108.849%0.48766%0.661SS.*  trans-71127.1179.1-97.2-43.1000112.4A613 K617 S618A613-D615 PolarHBondContact O-N 3.16Å; D615-K617 PolarHBondContact O-N 3.36Å; D615-K617 VanDerWaalsContact O-N 3.09Å; D615-S618 PolarHBondContact O-N 3.21Å; D615-S618 PolarHBondContact O-OG 3.4Å
616P43.3Very low43Very low92 Ų92108.6 Ų108.660%0.59765%0.65SS**Hα-helixtrans-65.5-15.8177.126.8-34.5000113.2
617K38.7Very low44.6Very low174 Ų174110.7 Ų110.776%0.75763%0.634SS**Hα-helixtrans-78.6-32173.9-66-178.6179.7178.10112.7D615 K620 F621D615-K617 PolarHBondContact O-N 3.36Å; D615-K617 VanDerWaalsContact O-N 3.09Å; K617-K620 PolarHBondContact O-N 3.05Å; K617-F621 PolarHBondContact O-N 3.26Å
618S44.6Very low46.3Very low30 Ų30109.4 Ų109.421%0.2161%0.611CS.*Hα-helixtrans-76.1-37.7-17972.50000112.1D615 K620 F621 A622D615-S618 PolarHBondContact O-N 3.21Å; D615-S618 PolarHBondContact O-OG 3.4Å; S618-K620 VanDerWaalsContact C-N 3.27Å; S618-K620 PolarHBondContact O-N 3.44Å; S618-F621 PolarHBondContact O-N 3.09Å; S618-F621 VanDerWaalsContact O-N 3.11Å; S618-A622 PolarHBondContact O-N 3.46Å
619R49.3Very low48.1Very low210 Ų210108.8 Ų108.879%0.79259%0.592SS**Hα-helixtrans-54-41.2170.1-106.8-176.8173.8-178.1-2.1112.4A622 A623R619-A622 PolarHBondContact O-N 2.99Å; R619-A623 WeakPolarHBondContact O-CB 3.49Å; R619-A623 PolarHBondContact O-N 2.96Å
620K50.2Low50.1Low156 Ų156110.4 Ų110.468%0.67859%0.586SS**Hα-helixtrans-64.3-40.4177-70177.3-179.6-178.40112.1K617 S618 F624K617-K620 PolarHBondContact O-N 3.05Å; S618-K620 VanDerWaalsContact C-N 3.27Å; S618-K620 PolarHBondContact O-N 3.44Å; K620-F624 VanDerWaalsContact O-CB 3.28Å; K620-F624 WeakPolarHBondContact O-CB 3.35Å; K620-F624 PolarHBondContact O-N 3.13Å
621F49.8Very low51.7Low143 Ų143108.4 Ų108.463%0.62757%0.567SS**Hα-helixtrans-69.2-42.5176.1-172.8-100.9000112.4K617 S618 F624 V625K617-F621 PolarHBondContact O-N 3.26Å; S618-F621 PolarHBondContact O-N 3.09Å; S618-F621 VanDerWaalsContact O-N 3.11Å; F621-F624 PolarHBondContact O-N 2.72Å; F621-V625 HydrophobicContact CD1-CG2 4.14Å; F621-V625 HydrophobicContact CE1-CG2 3.73Å; F621-V625 HydrophobicContact CE2-CG2 4.34Å; F621-V625 HydrophobicContact CZ-CG2 3.84Å; F621-V625 WeakPolarHBondContact O-CG2 3.34Å; F621-V625 PolarHBondContact O-N 3.27Å
622A47.7Very low53.7Low41 Ų41106.2 Ų106.234%0.33954%0.542SS..Hα-helixtrans-60.6-48.417600000111.8S618 R619 F624 V625 E626S618-A622 PolarHBondContact O-N 3.46Å; R619-A622 PolarHBondContact O-N 2.99Å; A622-F624 VanDerWaalsContact C-N 3.3Å; A622-F624 PolarHBondContact O-N 3.41Å; A622-V625 PolarHBondContact O-N 3.26Å; A622-E626 WeakPolarHBondContact O-CB 3.05Å; A622-E626 PolarHBondContact O-N 2.7Å
623A57.2Low55.1Low54 Ų54102.3 Ų102.345%0.44652%0.519SS..Hα-helixtrans-64.5-3217600000112.9R619 Y627R619-A623 WeakPolarHBondContact O-CB 3.49Å; R619-A623 PolarHBondContact O-N 2.96Å; A623-Y627 WeakPolarHBondContact O-CB 3.49Å; A623-Y627 PolarHBondContact O-N 3.43Å
624F60.8Low56.9Low114 Ų114100.4 Ų100.450%0.550%0.499SS..Hα-helixtrans-68-44.1172.7174.9-99.1000112.2K620 F621 A622 E626 Y627 L628K620-F624 VanDerWaalsContact O-CB 3.28Å; K620-F624 WeakPolarHBondContact O-CB 3.35Å; K620-F624 PolarHBondContact O-N 3.13Å; F621-F624 PolarHBondContact O-N 2.72Å; A622-F624 VanDerWaalsContact C-N 3.3Å; A622-F624 PolarHBondContact O-N 3.41Å; F624-E626 VanDerWaalsContact C-N 3.35Å; F624-Y627 PolarHBondContact O-N 3.44Å; F624-L628 HydrophobicContact CE1-CD2 4.17Å; F624-L628 HydrophobicContact CZ-CD2 4.39Å; F624-L628 WeakPolarHBondContact O-CB 3.42Å; F624-L628 PolarHBondContact O-N 2.96Å
625V56.8Low58.9Low69 Ų6996.4 Ų96.442%0.41848%0.479SS..Hα-helixtrans-65.6-38.4176.2171.40000111.2F621 A622 S629F621-V625 HydrophobicContact CD1-CG2 4.14Å; F621-V625 HydrophobicContact CE1-CG2 3.73Å; F621-V625 HydrophobicContact CE2-CG2 4.34Å; F621-V625 HydrophobicContact CZ-CG2 3.84Å; F621-V625 WeakPolarHBondContact O-CG2 3.34Å; F621-V625 PolarHBondContact O-N 3.27Å; A622-V625 PolarHBondContact O-N 3.26Å; V625-S629 WeakPolarHBondContact O-CB 3.49Å; V625-S629 PolarHBondContact O-N 3.41Å
626E66.4Low61Low141 Ų14193.4 Ų93.466%0.65946%0.462SS*.Hα-helixtrans-66.2-46.5174.2-173.6173.6-166.200112A622 F624 L628 S629 N630A622-E626 WeakPolarHBondContact O-CB 3.05Å; A622-E626 PolarHBondContact O-N 2.7Å; F624-E626 VanDerWaalsContact C-N 3.35Å; E626-L628 PolarHBondContact O-N 2.89Å; E626-S629 PolarHBondContact O-N 2.98Å; E626-N630 VanDerWaalsContact O-CB 3.28Å; E626-N630 WeakPolarHBondContact O-CB 3.44Å; E626-N630 PolarHBondContact O-N 3.36Å
627Y65.9Low62.9Low125 Ų12589.5 Ų89.549%0.4944%0.436SS..Hα-helixtrans-58.1-46.7173.2172.4-92.2000111.8A623 F624 N630 K631A623-Y627 WeakPolarHBondContact O-CB 3.49Å; A623-Y627 PolarHBondContact O-N 3.43Å; F624-Y627 PolarHBondContact O-N 3.44Å; Y627-N630 PolarHBondContact O-N 3.28Å; Y627-K631 HydrophobicContact CD1-CG 4.25Å; Y627-K631 HydrophobicContact CD2-CG 4.34Å; Y627-K631 HydrophobicContact CE1-CG 3.89Å; Y627-K631 HydrophobicContact CE2-CD 4.42Å; Y627-K631 HydrophobicContact CE2-CG 3.99Å; Y627-K631 HydrophobicContact CG-CG 4.47Å; Y627-K631 WeakPolarHBondContact O-CB 3.35Å; Y627-K631 VanDerWaalsContact O-CG 3.28Å; Y627-K631 WeakPolarHBondContact O-CG 3.35Å; Y627-K631 PolarHBondContact O-N 2.89Å; Y627-K631 WeakPolarHBondContact OH-CE 3.01Å
628L66.8Low65Low84 Ų8486.9 Ų86.944%0.4442%0.424SS..Hα-helixtrans-64.6-46.6-179.9-176.764.2000111F624 E626 N630 K631 V632F624-L628 HydrophobicContact CE1-CD2 4.17Å; F624-L628 HydrophobicContact CZ-CD2 4.39Å; F624-L628 WeakPolarHBondContact O-CB 3.42Å; F624-L628 PolarHBondContact O-N 2.96Å; E626-L628 PolarHBondContact O-N 2.89Å; L628-N630 PolarHBondContact O-N 3.48Å; L628-K631 PolarHBondContact O-N 3.24Å; L628-V632 HydrophobicContact CD1-CG2 4.22Å; L628-V632 HydrophobicContact CG-CG2 4.4Å; L628-V632 WeakPolarHBondContact O-CB 3.31Å; L628-V632 VanDerWaalsContact O-CG2 3.27Å; L628-V632 WeakPolarHBondContact O-CG2 3.5Å; L628-V632 PolarHBondContact O-N 3.27Å
629S64.5Low66.8Low75 Ų7588.8 Ų88.852%0.52444%0.435SS..Hα-helixtrans-57-49175.3-178.90000111.6V625 E626 K631 V632 S633V625-S629 WeakPolarHBondContact O-CB 3.49Å; V625-S629 PolarHBondContact O-N 3.41Å; E626-S629 PolarHBondContact O-N 2.98Å; S629-K631 PolarHBondContact O-N 3.03Å; S629-V632 PolarHBondContact O-N 3.18Å; S629-S633 WeakPolarHBondContact O-CB 3.35Å; S629-S633 PolarHBondContact O-N 2.9Å; S629-S633 PolarHBondContact O-OG 3.22Å
630N70.4Confident68.6Low100 Ų10078.8 Ų78.854%0.53540%0.397SS..Hα-helixtrans-64.9-41.7179.9-156.5-4.4000111.2E626 Y627 L628 S633 V634E626-N630 VanDerWaalsContact O-CB 3.28Å; E626-N630 WeakPolarHBondContact O-CB 3.44Å; E626-N630 PolarHBondContact O-N 3.36Å; Y627-N630 PolarHBondContact O-N 3.28Å; L628-N630 PolarHBondContact O-N 3.48Å; N630-S633 PolarHBondContact O-N 3.47Å; N630-S633 PolarHBondContact O-OG 3.25Å; N630-V634 WeakPolarHBondContact O-CG2 3.36Å; N630-V634 PolarHBondContact O-N 3.26Å
631K68.1Low70.2Confident83 Ų8372.4 Ų72.436%0.36137%0.372SS..Hα-helixtrans-65.9-45.2175-74.4-68.3-176.5-178.80113.4Y627 L628 S629 S633 V634 Y635Y627-K631 HydrophobicContact CD1-CG 4.25Å; Y627-K631 HydrophobicContact CD2-CG 4.34Å; Y627-K631 HydrophobicContact CE1-CG 3.89Å; Y627-K631 HydrophobicContact CE2-CD 4.42Å; Y627-K631 HydrophobicContact CE2-CG 3.99Å; Y627-K631 HydrophobicContact CG-CG 4.47Å; Y627-K631 WeakPolarHBondContact O-CB 3.35Å; Y627-K631 VanDerWaalsContact O-CG 3.28Å; Y627-K631 WeakPolarHBondContact O-CG 3.35Å; Y627-K631 PolarHBondContact O-N 2.89Å; Y627-K631 WeakPolarHBondContact OH-CE 3.01Å; L628-K631 PolarHBondContact O-N 3.24Å; S629-K631 PolarHBondContact O-N 3.03Å; K631-S633 VanDerWaalsContact C-N 3.29Å; K631-S633 PolarHBondContact O-N 3.04Å; K631-V634 PolarHBondContact O-N 2.91Å; K631-Y635 HydrophobicContact CD-CE2 4.21Å; K631-Y635 VanDerWaalsContact O-CD2 3.31Å; K631-Y635 WeakPolarHBondContact O-CD2 3.37Å; K631-Y635 PolarHBondContact O-N 2.84Å; K631-Y635 VanDerWaalsContact O-N 3.15Å
632V72Confident71.9Confident63 Ų6369.8 Ų69.838%0.38237%0.367SS..Hα-helixtrans-58.1-45.1174.9168.20000109.7L628 S629 V634 Y635 F636 F761L628-V632 HydrophobicContact CD1-CG2 4.22Å; L628-V632 HydrophobicContact CG-CG2 4.4Å; L628-V632 WeakPolarHBondContact O-CB 3.31Å; L628-V632 VanDerWaalsContact O-CG2 3.27Å; L628-V632 WeakPolarHBondContact O-CG2 3.5Å; L628-V632 PolarHBondContact O-N 3.27Å; S629-V632 PolarHBondContact O-N 3.18Å; V632-V634 PolarHBondContact O-N 3.04Å; V632-Y635 PolarHBondContact O-N 3.15Å; V632-Y635 VanDerWaalsContact O-N 3.13Å; V632-F636 HydrophobicContact CG1-CD2 4.35Å; V632-F636 WeakPolarHBondContact O-CB 3.44Å; V632-F636 PolarHBondContact O-N 2.97Å; V632-F761 HydrophobicContact CG1-CE1 4.2Å; V632-F761 HydrophobicContact CG1-CZ 4.17Å
633S70.2Confident73.8Confident6 Ų669.5 Ų69.54%0.04236%0.361CS..Hα-helixtrans-63.5-24.6179.777.90000115S629 N630 K631 P764S629-S633 WeakPolarHBondContact O-CB 3.35Å; S629-S633 PolarHBondContact O-N 2.9Å; S629-S633 PolarHBondContact O-OG 3.22Å; N630-S633 PolarHBondContact O-N 3.47Å; N630-S633 PolarHBondContact O-OG 3.25Å; K631-S633 VanDerWaalsContact C-N 3.29Å; K631-S633 PolarHBondContact O-N 3.04Å; S633-P764 WeakPolarHBondContact OG-CB 3.31Å
634V74.2Confident75.3Confident42 Ų4267 Ų6726%0.25534%0.34SS..Hα-helixtrans-82.6-34.6174.6170.40000111.8N630 K631 V632 A768N630-V634 WeakPolarHBondContact O-CG2 3.36Å; N630-V634 PolarHBondContact O-N 3.26Å; K631-V634 PolarHBondContact O-N 2.91Å; V632-V634 PolarHBondContact O-N 3.04Å; V634-A768 HydrophobicContact CG2-CB 3.9Å
635Y80.7Confident76.6Confident132 Ų13262.8 Ų62.852%0.51832%0.323SS..Hα-helixtrans-96.6-11.4-175.2-65.9-53.5000115.2K631 V632 I637 F638K631-Y635 HydrophobicContact CD-CE2 4.21Å; K631-Y635 VanDerWaalsContact O-CD2 3.31Å; K631-Y635 WeakPolarHBondContact O-CD2 3.37Å; K631-Y635 PolarHBondContact O-N 2.84Å; K631-Y635 VanDerWaalsContact O-N 3.15Å; V632-Y635 PolarHBondContact O-N 3.15Å; V632-Y635 VanDerWaalsContact O-N 3.13Å; Y635-I637 PolarHBondContact O-N 2.86Å; Y635-F638 HydrophobicContact CD1-CD2 4.23Å; Y635-F638 HydrophobicContact CD1-CE2 4.09Å; Y635-F638 PolarHBondContact O-N 3.06Å
636F83.5Confident77.9Confident28 Ų2862.9 Ų62.912%0.12332%0.324CS..Hα-helixtrans-56.3-27.5-176.7-159.3-93.8000113.8V632 F638 V639 V640 V753 L756 Q757 F761V632-F636 HydrophobicContact CG1-CD2 4.35Å; V632-F636 WeakPolarHBondContact O-CB 3.44Å; V632-F636 PolarHBondContact O-N 2.97Å; F636-F638 PolarHBondContact O-N 3.23Å; F636-V639 WeakPolarHBondContact O-CA 3.38Å; F636-V639 VanDerWaalsContact O-CB 3.32Å; F636-V639 WeakPolarHBondContact O-CB 3.37Å; F636-V639 PolarHBondContact O-N 3.01Å; F636-V640 HydrophobicContact CD1-CG2 3.73Å; F636-V640 HydrophobicContact CE1-CG2 3.79Å; F636-V640 PolarHBondContact O-N 3.16Å; F636-V640 VanDerWaalsContact O-N 3.13Å; F636-V753 HydrophobicContact CE1-CG1 4.08Å; F636-V753 HydrophobicContact CZ-CG1 4.25Å; F636-L756 HydrophobicContact CE1-CB 4.33Å; F636-L756 HydrophobicContact CZ-CB 4.13Å; F636-Q757 HydrophobicContact CD1-CB 3.96Å; F636-Q757 HydrophobicContact CE1-CB 4Å; F636-F761 HydrophobicContact CB-CB 4.08Å; F636-F761 HydrophobicContact CB-CD2 3.83Å; F636-F761 HydrophobicContact CB-CE2 4.49Å; F636-F761 HydrophobicContact CB-CG 4.03Å; F636-F761 AromaticContact CD1-CD2 3.5Å; F636-F761 HydrophobicContact CD1-CD2 3.5Å; F636-F761 VanDerWaalsContact CD1-CD2 3.5Å; F636-F761 HydrophobicContact CD1-CE2 4.1Å; F636-F761 HydrophobicContact CD1-CG 4.38Å; F636-F761 AromaticContact CD2-CD2 3.6Å; F636-F761 HydrophobicContact CD2-CD2 3.6Å; F636-F761 AromaticContact CD2-CE2 3.46Å; F636-F761 HydrophobicContact CD2-CE2 3.46Å; F636-F761 VanDerWaalsContact CD2-CE2 3.46Å; F636-F761 HydrophobicContact CD2-CG 4.49Å; F636-F761 HydrophobicContact CD2-CZ 4.26Å; F636-F761 AromaticContact CE1-CD2 3.87Å; F636-F761 HydrophobicContact CE1-CD2 3.87Å; F636-F761 HydrophobicContact CE1-CE2 4.15Å; F636-F761 AromaticContact CE2-CD2 3.97Å; F636-F761 HydrophobicContact CE2-CD2 3.97Å; F636-F761 AromaticContact CE2-CE2 3.53Å; F636-F761 HydrophobicContact CE2-CE2 3.53Å; F636-F761 HydrophobicContact CE2-CZ 4.45Å; F636-F761 HydrophobicContact CG-CB 4.43Å; F636-F761 AromaticContact CG-CD2 3.34Å; F636-F761 HydrophobicContact CG-CD2 3.34Å; F636-F761 AromaticContact CG-CE2 3.76Å; F636-F761 HydrophobicContact CG-CE2 3.76Å; F636-F761 HydrophobicContact CG-CG 4.06Å; F636-F761 HydrophobicContact CZ-CD2 4.09Å; F636-F761 AromaticContact CZ-CE2 3.88Å; F636-F761 HydrophobicContact CZ-CE2 3.88Å
637I82.7Confident78.7Confident10 Ų1056.6 Ų56.65%0.05130%0.295CS..Hα-helixtrans-56.4-32.8176-164.3167.5000113.5Y635 S641 Y678 W686 W765Y635-I637 PolarHBondContact O-N 2.86Å; I637-S641 PolarHBondContact O-N 3.44Å; I637-S641 VanDerWaalsContact O-N 3.12Å; I637-Y678 HydrophobicContact CD1-CE1 4.42Å; I637-W686 HydrophobicContact CD1-CZ2 4.23Å; I637-W686 HydrophobicContact CG1-CZ2 3.83Å; I637-W765 HydrophobicContact CD1-CD2 4.22Å; I637-W765 HydrophobicContact CD1-CH2 4.19Å; I637-W765 HydrophobicContact CD1-CZ2 3.59Å
638F82.8Confident79.7Confident119 Ų11950.7 Ų50.752%0.52227%0.271SS..Hα-helixtrans-70.5-36.3174.5-65.9-71.7000111.7Y635 F636 S641 V642Y635-F638 HydrophobicContact CD1-CD2 4.23Å; Y635-F638 HydrophobicContact CD1-CE2 4.09Å; Y635-F638 PolarHBondContact O-N 3.06Å; F636-F638 PolarHBondContact O-N 3.23Å; F638-S641 PolarHBondContact O-N 2.9Å; F638-V642 WeakPolarHBondContact O-CG2 3.21Å; F638-V642 PolarHBondContact O-N 3.23Å
639V83.6Confident80.4Confident70 Ų7046.7 Ų46.742%0.42425%0.251SS..Hα-helixtrans-62-45.5175.5-174.90000110.3F636 S641 V642 V643F636-V639 WeakPolarHBondContact O-CA 3.38Å; F636-V639 VanDerWaalsContact O-CB 3.32Å; F636-V639 WeakPolarHBondContact O-CB 3.37Å; F636-V639 PolarHBondContact O-N 3.01Å; V639-S641 PolarHBondContact O-N 2.95Å; V639-V642 PolarHBondContact O-N 3.05Å; V639-V643 HydrophobicContact CG1-CG2 4.45Å; V639-V643 WeakPolarHBondContact O-CG2 3.36Å; V639-V643 PolarHBondContact O-N 2.69Å
640V86.5Confident81.1Confident0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-63.8-40.6177.1-162.70000111.7F636 V643 L644 W686 V753 T754 Q757F636-V640 HydrophobicContact CD1-CG2 3.73Å; F636-V640 HydrophobicContact CE1-CG2 3.79Å; F636-V640 PolarHBondContact O-N 3.16Å; F636-V640 VanDerWaalsContact O-N 3.13Å; V640-V643 PolarHBondContact O-N 3.4Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 PolarHBondContact O-N 3.32Å; V640-W686 HydrophobicContact CB-CH2 4.06Å; V640-W686 HydrophobicContact CB-CZ3 3.97Å; V640-W686 HydrophobicContact CG1-CE3 3.72Å; V640-W686 HydrophobicContact CG1-CH2 3.93Å; V640-W686 HydrophobicContact CG1-CZ3 3.31Å; V640-V753 HydrophobicContact CB-CG1 4.32Å; V640-V753 HydrophobicContact CG1-CG1 4.26Å; V640-V753 HydrophobicContact CG2-CG1 3.96Å; V640-T754 HydrophobicContact CG1-CG2 3.83Å; V640-Q757 HydrophobicContact CG2-CB 3.8Å; V640-Q757 HydrophobicContact CG2-CG 3.98Å
641S84.8Confident81.4Confident22 Ų2243.2 Ų43.215%0.15423%0.227CC..Hα-helixtrans-66.5-34.8177.9-1770000113I637 F638 V639 L645I637-S641 PolarHBondContact O-N 3.44Å; I637-S641 VanDerWaalsContact O-N 3.12Å; F638-S641 PolarHBondContact O-N 2.9Å; V639-S641 PolarHBondContact O-N 2.95Å; S641-L645 PolarHBondContact O-N 3.19Å; S641-L645 VanDerWaalsContact O-N 3.16Å
642V85Confident81.6Confident87 Ų8742.1 Ų42.153%0.52723%0.233SC..Hα-helixtrans-72-45.1174.4169.50000111.4F638 V639 L644 L645 V646F638-V642 WeakPolarHBondContact O-CG2 3.21Å; F638-V642 PolarHBondContact O-N 3.23Å; V639-V642 PolarHBondContact O-N 3.05Å; V642-L644 VanDerWaalsContact C-N 3.29Å; V642-L644 PolarHBondContact O-N 2.89Å; V642-L645 PolarHBondContact O-N 2.92Å; V642-L645 VanDerWaalsContact O-N 3.14Å; V642-V646 HydrophobicContact CG1-CG2 4.4Å; V642-V646 WeakPolarHBondContact O-CG2 3.38Å; V642-V646 PolarHBondContact O-N 3.44Å
643V86.4Confident81.8Confident35 Ų3540.3 Ų40.321%0.21222%0.222CC..Hα-helixtrans-62.3-38.7177.1175.40000111V639 V640 V646 V647 L750 V753V639-V643 HydrophobicContact CG1-CG2 4.45Å; V639-V643 WeakPolarHBondContact O-CG2 3.36Å; V639-V643 PolarHBondContact O-N 2.69Å; V640-V643 PolarHBondContact O-N 3.4Å; V643-V646 PolarHBondContact O-N 2.92Å; V643-V647 HydrophobicContact CG1-CG2 4.39Å; V643-V647 VanDerWaalsContact O-CG2 3.3Å; V643-V647 WeakPolarHBondContact O-CG2 3.39Å; V643-V647 PolarHBondContact O-N 3.21Å; V643-L750 HydrophobicContact CG1-CB 4.48Å; V643-L750 HydrophobicContact CG1-CD1 3.98Å; V643-V753 HydrophobicContact CG2-CG1 4.5Å
644L88.9Confident82.4Confident1 Ų141.3 Ų41.31%0.00523%0.227CC..Hα-helixtrans-61.4-42.8173.3-17863000112.2V640 V642 S648 F660 W664 F685 L689 L750V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 PolarHBondContact O-N 3.32Å; V642-L644 VanDerWaalsContact C-N 3.29Å; V642-L644 PolarHBondContact O-N 2.89Å; L644-S648 WeakPolarHBondContact O-CB 3.42Å; L644-S648 PolarHBondContact O-N 2.85Å; L644-S648 VanDerWaalsContact O-N 3.11Å; L644-S648 PolarHBondContact O-OG 2.88Å; L644-F660 HydrophobicContact CD1-CB 4.11Å; L644-F660 HydrophobicContact CD1-CD1 3.74Å; L644-F660 HydrophobicContact CD1-CG 4.3Å; L644-W664 HydrophobicContact CD2-CB 3.99Å; L644-W664 HydrophobicContact CG-CB 4.19Å; L644-F685 HydrophobicContact CD2-CE1 4.42Å; L644-F685 HydrophobicContact CD2-CZ 4.21Å; L644-L689 HydrophobicContact CD1-CD1 4.05Å; L644-L689 HydrophobicContact CD1-CD2 4.19Å; L644-L689 HydrophobicContact CD2-CD2 4.38Å; L644-L750 HydrophobicContact CD1-CD2 4.26Å
645L87.8Confident82.9Confident27 Ų2743.6 Ų43.614%0.14123%0.234CC..Hα-helixtrans-63.3-47.8176.8-179.861.1000111.7S641 V642 V647 S648 T649 F661 W664 I937S641-L645 PolarHBondContact O-N 3.19Å; S641-L645 VanDerWaalsContact O-N 3.16Å; V642-L645 PolarHBondContact O-N 2.92Å; V642-L645 VanDerWaalsContact O-N 3.14Å; L645-V647 PolarHBondContact O-N 3.46Å; L645-S648 WeakPolarHBondContact CA-OG 3.37Å; L645-S648 CarbonylContact O-C 3.58Å; L645-S648 PolarHBondContact O-N 3.32Å; L645-S648 VanDerWaalsContact O-N 3.07Å; L645-S648 PolarHBondContact O-OG 3.41Å; L645-T649 HydrophobicContact CD1-CG2 3.95Å; L645-T649 PolarHBondContact O-N 2.98Å; L645-T649 VanDerWaalsContact O-N 3.1Å; L645-T649 PolarHBondContact O-OG1 3.46Å; L645-F661 HydrophobicContact CD1-CD2 4.38Å; L645-F661 HydrophobicContact CD1-CE2 4.21Å; L645-W664 HydrophobicContact CD1-CD2 3.97Å; L645-W664 HydrophobicContact CD1-CE3 4.18Å; L645-W664 HydrophobicContact CD1-CG 4.48Å; L645-W664 HydrophobicContact CD1-CH2 4.27Å; L645-W664 HydrophobicContact CD1-CZ2 4.04Å; L645-W664 HydrophobicContact CD1-CZ3 4.33Å; L645-W664 HydrophobicContact CD2-CZ2 3.91Å; L645-W664 HydrophobicContact CG-CZ2 4.47Å; L645-I937 HydrophobicContact CD1-CD1 4.41Å; L645-I937 HydrophobicContact CD2-CG2 4.24Å
646V85.1Confident83.1Confident71 Ų7138.7 Ų38.743%0.4322%0.215SC..Hα-helixtrans-58.9-49.2179170.30000111V642 V643 S648 T649 C650V642-V646 HydrophobicContact CG1-CG2 4.4Å; V642-V646 WeakPolarHBondContact O-CG2 3.38Å; V642-V646 PolarHBondContact O-N 3.44Å; V643-V646 PolarHBondContact O-N 2.92Å; V646-S648 PolarHBondContact O-N 2.94Å; V646-T649 PolarHBondContact O-N 3.36Å; V646-T649 VanDerWaalsContact O-N 3.13Å; V646-C650 HydrophobicContact CG1-CB 4.49Å; V646-C650 PolarHBondContact O-N 3.25Å
647V83.9Confident83.3Confident9 Ų937.4 Ų37.46%0.05521%0.209CC..Hα-helixtrans-61.1-28.6176.9174.20000112V643 L645 N657 F660 A746 L750V643-V647 HydrophobicContact CG1-CG2 4.39Å; V643-V647 VanDerWaalsContact O-CG2 3.3Å; V643-V647 WeakPolarHBondContact O-CG2 3.39Å; V643-V647 PolarHBondContact O-N 3.21Å; L645-V647 PolarHBondContact O-N 3.46Å; V647-N657 PolarHBondContact O-OD1 3.26Å; V647-F660 HydrophobicContact CG1-CD2 4.05Å; V647-F660 HydrophobicContact CG1-CE2 4.13Å; V647-A746 HydrophobicContact CG2-CB 4.3Å; V647-L750 HydrophobicContact CG1-CD2 4.26Å; V647-L750 HydrophobicContact CG2-CB 4.47Å
648S85.1Confident83.5Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-85.8-9.8177.472.40000116.2L644 L645 V646L644-S648 WeakPolarHBondContact O-CB 3.42Å; L644-S648 PolarHBondContact O-N 2.85Å; L644-S648 VanDerWaalsContact O-N 3.11Å; L644-S648 PolarHBondContact O-OG 2.88Å; L645-S648 WeakPolarHBondContact CA-OG 3.37Å; L645-S648 CarbonylContact O-C 3.58Å; L645-S648 PolarHBondContact O-N 3.32Å; L645-S648 VanDerWaalsContact O-N 3.07Å; L645-S648 PolarHBondContact O-OG 3.41Å; V646-S648 PolarHBondContact O-N 2.94Å
649T82.3Confident83.7Confident0 Ų036.1 Ų36.10%021%0.207CC..Hα-helixtrans-130.7-18.3-170.351.60000116L645 V646 F661 P929 I930L645-T649 HydrophobicContact CD1-CG2 3.95Å; L645-T649 PolarHBondContact O-N 2.98Å; L645-T649 VanDerWaalsContact O-N 3.1Å; L645-T649 PolarHBondContact O-OG1 3.46Å; V646-T649 PolarHBondContact O-N 3.36Å; V646-T649 VanDerWaalsContact O-N 3.13Å; T649-F661 HydrophobicContact CG2-CD2 4.08Å; T649-F661 HydrophobicContact CG2-CE2 4.26Å; T649-P929 WeakPolarHBondContact O-CD 3.38Å; T649-I930 PolarHBondContact O-N 2.86Å
650C80Confident84Confident44 Ų4432.8 Ų32.830%0.29719%0.187SC..SBendtrans-95.64.5177.5-65.20000113.9V646 E928V646-C650 HydrophobicContact CG1-CB 4.49Å; V646-C650 PolarHBondContact O-N 3.25Å; C650-E928 WeakPolarHBondContact CA-OE2 3.01Å; C650-E928 WeakPolarHBondContact CB-OE2 3.42Å; C650-E928 PolarHBondContact SG-OE2 3.12Å
651F75.7Confident84.2Confident59 Ų5932.8 Ų32.826%0.25919%0.187SC..SBendtrans-120.3158.1175.2-66.8-80.3000109.9N657 A746F651-N657 WeakPolarHBondContact CB-ND2 3.46Å; F651-A746 HydrophobicContact CE2-CB 3.47Å; F651-A746 VanDerWaalsContact CE2-CB 3.47Å; F651-A746 HydrophobicContact CZ-CB 3.42Å; F651-A746 VanDerWaalsContact CZ-CB 3.42Å
652A73.3Confident84.3Confident59 Ų5933.3 Ų33.349%0.48819%0.193SC..  trans-52.2147.6176.700000112N654 N657A652-N654 PolarHBondContact O-N 2.89Å; A652-N657 PolarHBondContact O-ND2 3.26Å
653P76.3Confident84.5Confident26 Ų2631.1 Ų31.117%0.16918%0.178CC..  trans-75.452.9-169.632.2-37.2000114.5I658 Q888 L889P653-I658 WeakPolarHBondContact O-CD1 3.47Å; P653-Q888 HydrophobicContact CB-CB 4.46Å; P653-Q888 HydrophobicContact CG-CB 3.87Å; P653-Q888 WeakPolarHBondContact CG-O 3.35Å; P653-L889 VanDerWaalsContact O-CD2 3.23Å; P653-L889 WeakPolarHBondContact O-CD2 3.47Å
654N81.4Confident84.7Confident27 Ų2729.9 Ų29.914%0.14417%0.169CC..  trans-65.6156.7173.4-57.1-10.6000111.2A652 Y656 N657 I658 A725A652-N654 PolarHBondContact O-N 2.89Å; N654-Y656 HydrophobicContact CB-CD1 4.27Å; N654-Y656 HydrophobicContact CB-CE1 4.16Å; N654-Y656 PolarHBondContact O-N 3.2Å; N654-Y656 VanDerWaalsContact O-N 3.09Å; N654-N657 PolarHBondContact O-N 2.93Å; N654-I658 PolarHBondContact O-N 3.41Å; N654-A725 WeakPolarHBondContact CA-O 3.49Å
655F85Confident84.6Confident89 Ų8930 Ų3039%0.3917%0.17SC..Hα-helixtrans-52.6-35.9179.7-85.4-72.8000114.2L659 W722 A725 I726 I891F655-L659 WeakPolarHBondContact O-CB 3.22Å; F655-L659 PolarHBondContact O-N 3.28Å; F655-W722 HydrophobicContact CE2-CE3 4.42Å; F655-W722 AromaticContact CE2-CZ3 3.89Å; F655-W722 HydrophobicContact CE2-CZ3 3.89Å; F655-W722 HydrophobicContact CZ-CZ3 4.14Å; F655-A725 HydrophobicContact CD2-CB 4.42Å; F655-A725 WeakPolarHBondContact CD2-O 3.3Å; F655-A725 HydrophobicContact CE2-CB 4.29Å; F655-A725 PolarHBondContact N-O 3.37Å; F655-I726 HydrophobicContact CD2-CG1 4.33Å; F655-I891 HydrophobicContact CE2-CD1 4.43Å
656Y85.6Confident84.4Confident29 Ų2931.7 Ų31.711%0.11418%0.179CC..Hα-helixtrans-71.3-32.5176.566.1-109000113.5N654 L659 F660 Y692 I726N654-Y656 HydrophobicContact CB-CD1 4.27Å; N654-Y656 HydrophobicContact CB-CE1 4.16Å; N654-Y656 PolarHBondContact O-N 3.2Å; N654-Y656 VanDerWaalsContact O-N 3.09Å; Y656-L659 PolarHBondContact O-N 2.92Å; Y656-F660 HydrophobicContact CD2-CD2 4.31Å; Y656-F660 HydrophobicContact CD2-CE2 4.05Å; Y656-F660 WeakPolarHBondContact O-CD2 3.38Å; Y656-F660 PolarHBondContact O-N 2.99Å; Y656-Y692 WeakPolarHBondContact CA-OH 3.25Å; Y656-Y692 VanDerWaalsContact CB-OH 3.23Å; Y656-Y692 WeakPolarHBondContact CB-OH 3.28Å; Y656-I726 VanDerWaalsContact CD1-O 3.26Å; Y656-I726 WeakPolarHBondContact CD1-O 3.26Å
657N86.2Confident84.5Confident2 Ų228.7 Ų28.71%0.01116%0.161CC..Hα-helixtrans-73.2-41176.6-70.9-27.9000111.4V647 F651 A652 N654 L659 F660 F661V647-N657 PolarHBondContact O-OD1 3.26Å; F651-N657 WeakPolarHBondContact CB-ND2 3.46Å; A652-N657 PolarHBondContact O-ND2 3.26Å; N654-N657 PolarHBondContact O-N 2.93Å; N657-L659 VanDerWaalsContact C-N 3.26Å; N657-L659 PolarHBondContact O-N 2.96Å; N657-F660 PolarHBondContact O-N 3.48Å; N657-F661 PolarHBondContact O-N 3.31Å
658I87.2Confident84.6Confident21 Ų2129.2 Ų29.211%0.10816%0.163CC..Hα-helixtrans-59.6-39.2170.6-63.1173.6000110.4P653 N654 F661 A662 M885 L889P653-I658 WeakPolarHBondContact O-CD1 3.47Å; N654-I658 PolarHBondContact O-N 3.41Å; I658-F661 PolarHBondContact O-N 2.97Å; I658-A662 WeakPolarHBondContact O-CB 3.44Å; I658-A662 PolarHBondContact O-N 3.1Å; I658-M885 HydrophobicContact CG1-CE 4.32Å; I658-L889 HydrophobicContact CD1-CD1 4Å; I658-L889 HydrophobicContact CD1-CD2 4.02Å; I658-L889 HydrophobicContact CD1-CG 4.02Å
659L88.6Confident84.5Confident81 Ų8132.9 Ų32.942%0.42418%0.182SC..Hα-helixtrans-69.1-37.4175.7-171.158000112.9F655 Y656 N657 F661 A662 L663 Y692F655-L659 WeakPolarHBondContact O-CB 3.22Å; F655-L659 PolarHBondContact O-N 3.28Å; Y656-L659 PolarHBondContact O-N 2.92Å; N657-L659 VanDerWaalsContact C-N 3.26Å; N657-L659 PolarHBondContact O-N 2.96Å; L659-F661 VanDerWaalsContact C-N 3.34Å; L659-A662 PolarHBondContact O-N 3.31Å; L659-L663 WeakPolarHBondContact O-CB 3.32Å; L659-L663 VanDerWaalsContact O-CG 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.42Å; L659-L663 PolarHBondContact O-N 3.39Å; L659-Y692 HydrophobicContact CD2-CE1 4.5Å; L659-Y692 HydrophobicContact CD2-CE2 4.2Å
660F89.8Confident84.6Confident0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-61.3-41.1170.4-73.6-56.5000111.8L644 V647 Y656 N657 L663 W664 L689 Y692 T693 L750L644-F660 HydrophobicContact CD1-CB 4.11Å; L644-F660 HydrophobicContact CD1-CD1 3.74Å; L644-F660 HydrophobicContact CD1-CG 4.3Å; V647-F660 HydrophobicContact CG1-CD2 4.05Å; V647-F660 HydrophobicContact CG1-CE2 4.13Å; Y656-F660 HydrophobicContact CD2-CD2 4.31Å; Y656-F660 HydrophobicContact CD2-CE2 4.05Å; Y656-F660 WeakPolarHBondContact O-CD2 3.38Å; Y656-F660 PolarHBondContact O-N 2.99Å; N657-F660 PolarHBondContact O-N 3.48Å; F660-L663 PolarHBondContact O-N 2.99Å; F660-W664 PolarHBondContact O-N 3.46Å; F660-L689 HydrophobicContact CD1-CD1 3.96Å; F660-L689 HydrophobicContact CE1-CD1 3.78Å; F660-Y692 HydrophobicContact CD1-CD1 4.28Å; F660-Y692 HydrophobicContact CD1-CE1 4.07Å; F660-Y692 AromaticContact CE1-CD1 3.54Å; F660-Y692 HydrophobicContact CE1-CD1 3.54Å; F660-Y692 AromaticContact CE1-CE1 3.56Å; F660-Y692 HydrophobicContact CE1-CE1 3.56Å; F660-Y692 HydrophobicContact CE2-CE1 4.15Å; F660-Y692 AromaticContact CZ-CD1 3.84Å; F660-Y692 HydrophobicContact CZ-CD1 3.84Å; F660-Y692 AromaticContact CZ-CE1 3.6Å; F660-Y692 HydrophobicContact CZ-CE1 3.6Å; F660-T693 HydrophobicContact CE1-CG2 4.14Å; F660-T693 HydrophobicContact CZ-CG2 4.14Å; F660-L750 HydrophobicContact CD1-CD2 4.17Å; F660-L750 HydrophobicContact CE1-CD2 3.68Å; F660-L750 HydrophobicContact CZ-CD2 4.08Å
661F89.2Confident84.8Confident0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-65.3-42.9175.7-171.4-98.9000111.9L645 T649 N657 I658 L659 L663 W664 A665 A881 L882 M885 L933L645-F661 HydrophobicContact CD1-CD2 4.38Å; L645-F661 HydrophobicContact CD1-CE2 4.21Å; T649-F661 HydrophobicContact CG2-CD2 4.08Å; T649-F661 HydrophobicContact CG2-CE2 4.26Å; N657-F661 PolarHBondContact O-N 3.31Å; I658-F661 PolarHBondContact O-N 2.97Å; L659-F661 VanDerWaalsContact C-N 3.34Å; F661-L663 VanDerWaalsContact C-N 3.33Å; F661-L663 PolarHBondContact O-N 2.88Å; F661-W664 HydrophobicContact CD2-CE3 4.4Å; F661-W664 HydrophobicContact CE2-CE3 4.03Å; F661-W664 HydrophobicContact CE2-CZ3 4.1Å; F661-W664 HydrophobicContact CZ-CE3 4.36Å; F661-W664 HydrophobicContact CZ-CZ3 4.23Å; F661-W664 WeakPolarHBondContact O-CB 3.39Å; F661-W664 PolarHBondContact O-N 2.98Å; F661-W664 VanDerWaalsContact O-N 3.13Å; F661-A665 PolarHBondContact O-N 2.77Å; F661-A881 HydrophobicContact CE1-CB 3.98Å; F661-A881 HydrophobicContact CZ-CB 4.01Å; F661-L882 HydrophobicContact CD1-CD2 3.99Å; F661-L882 HydrophobicContact CE1-CD2 4.31Å; F661-M885 HydrophobicContact CB-CE 4.35Å; F661-M885 HydrophobicContact CB-SD 3.84Å; F661-M885 HydrophobicContact CD1-SD 3.51Å; F661-M885 VanDerWaalsContact CD1-SD 3.51Å; F661-M885 HydrophobicContact CD2-SD 3.92Å; F661-M885 HydrophobicContact CE1-SD 3.99Å; F661-M885 HydrophobicContact CE2-SD 4.36Å; F661-M885 HydrophobicContact CG-CE 4.49Å; F661-M885 HydrophobicContact CG-SD 3.47Å; F661-M885 WeakPolarHBondContact CG-SD 3.38Å; F661-M885 HydrophobicContact CZ-SD 4.39Å; F661-L933 HydrophobicContact CE2-CD1 4.35Å; F661-L933 HydrophobicContact CZ-CD1 4.39Å
662A88.2Confident85.2Confident33 Ų3333.8 Ų33.827%0.27318%0.18SC..Hα-helixtrans-61-40.6175.500000112.1I658 L659 W664 A665 L666I658-A662 WeakPolarHBondContact O-CB 3.44Å; I658-A662 PolarHBondContact O-N 3.1Å; L659-A662 PolarHBondContact O-N 3.31Å; A662-W664 VanDerWaalsContact C-N 3.34Å; A662-W664 PolarHBondContact O-N 3.39Å; A662-A665 PolarHBondContact O-N 2.85Å; A662-L666 WeakPolarHBondContact O-CB 3.38Å; A662-L666 PolarHBondContact O-N 3.28Å
663L88.7Confident85.7Confident41 Ų4138 Ų3822%0.21519%0.188CC..Hα-helixtrans-64.6-35.7173.7-72.6169.9000112.4L659 F660 F661 N667 F685 L689L659-L663 WeakPolarHBondContact O-CB 3.32Å; L659-L663 VanDerWaalsContact O-CG 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.42Å; L659-L663 PolarHBondContact O-N 3.39Å; F660-L663 PolarHBondContact O-N 2.99Å; F661-L663 VanDerWaalsContact C-N 3.33Å; F661-L663 PolarHBondContact O-N 2.88Å; L663-N667 WeakPolarHBondContact O-CB 3.37Å; L663-N667 PolarHBondContact O-N 3.37Å; L663-N667 VanDerWaalsContact O-N 3.13Å; L663-F685 HydrophobicContact CB-CE2 4.27Å; L663-F685 HydrophobicContact CB-CZ 4.24Å; L663-F685 HydrophobicContact CD2-CE2 4.14Å; L663-F685 WeakPolarHBondContact O-CE2 3.39Å; L663-F685 WeakPolarHBondContact O-CZ 3.43Å; L663-L689 HydrophobicContact CD1-CD1 4.35Å
664W90.2Very high86Confident8 Ų838.5 Ų38.53%0.0319%0.192CC..Hα-helixtrans-68.1-46.6173.4178.489.4000112.4L644 L645 F660 F661 A662 L666 N667 L668 F878 I937 I940L644-W664 HydrophobicContact CD2-CB 3.99Å; L644-W664 HydrophobicContact CG-CB 4.19Å; L645-W664 HydrophobicContact CD1-CD2 3.97Å; L645-W664 HydrophobicContact CD1-CE3 4.18Å; L645-W664 HydrophobicContact CD1-CG 4.48Å; L645-W664 HydrophobicContact CD1-CH2 4.27Å; L645-W664 HydrophobicContact CD1-CZ2 4.04Å; L645-W664 HydrophobicContact CD1-CZ3 4.33Å; L645-W664 HydrophobicContact CD2-CZ2 3.91Å; L645-W664 HydrophobicContact CG-CZ2 4.47Å; F660-W664 PolarHBondContact O-N 3.46Å; F661-W664 HydrophobicContact CD2-CE3 4.4Å; F661-W664 HydrophobicContact CE2-CE3 4.03Å; F661-W664 HydrophobicContact CE2-CZ3 4.1Å; F661-W664 HydrophobicContact CZ-CE3 4.36Å; F661-W664 HydrophobicContact CZ-CZ3 4.23Å; F661-W664 WeakPolarHBondContact O-CB 3.39Å; F661-W664 PolarHBondContact O-N 2.98Å; F661-W664 VanDerWaalsContact O-N 3.13Å; A662-W664 VanDerWaalsContact C-N 3.34Å; A662-W664 PolarHBondContact O-N 3.39Å; W664-L666 PolarHBondContact O-N 3.01Å; W664-N667 VanDerWaalsContact O-CB 3.29Å; W664-N667 WeakPolarHBondContact O-CB 3.49Å; W664-N667 PolarHBondContact O-N 3.34Å; W664-L668 HydrophobicContact CD2-CD1 4.3Å; W664-L668 HydrophobicContact CE3-CD1 4.4Å; W664-L668 HydrophobicContact CH2-CD1 3.62Å; W664-L668 HydrophobicContact CZ2-CD1 3.48Å; W664-L668 VanDerWaalsContact CZ2-CD1 3.48Å; W664-L668 HydrophobicContact CZ3-CD1 4.09Å; W664-L668 PolarHBondContact O-N 2.76Å; W664-F878 HydrophobicContact CZ3-CE1 4.44Å; W664-I937 HydrophobicContact CH2-CG2 4.26Å; W664-I940 HydrophobicContact CH2-CG2 4.3Å
665A86Confident86Confident4 Ų440.8 Ų40.83%0.03320%0.201CC..Hα-helixtrans-60.9-45.2176.700000111.6F661 A662 N667 L668 I669 F878F661-A665 PolarHBondContact O-N 2.77Å; A662-A665 PolarHBondContact O-N 2.85Å; A665-N667 VanDerWaalsContact C-N 3.31Å; A665-N667 PolarHBondContact O-N 2.97Å; A665-L668 PolarHBondContact O-N 2.89Å; A665-L668 VanDerWaalsContact O-N 3.13Å; A665-I669 WeakPolarHBondContact O-CG1 3.2Å; A665-I669 PolarHBondContact O-N 3.46Å; A665-F878 HydrophobicContact CB-CD1 3.69Å; A665-F878 HydrophobicContact CB-CE1 3.69Å
666L85.4Confident85.8Confident62 Ų6247.2 Ų47.233%0.32522%0.222SC..Hα-helixtrans-61-36.5176.9177.7144.6000112.6A662 W664 I669 Y670 F685A662-L666 WeakPolarHBondContact O-CB 3.38Å; A662-L666 PolarHBondContact O-N 3.28Å; W664-L666 PolarHBondContact O-N 3.01Å; L666-I669 PolarHBondContact O-N 2.94Å; L666-Y670 HydrophobicContact CD2-CD2 4Å; L666-Y670 HydrophobicContact CD2-CE2 3.35Å; L666-Y670 HydrophobicContact CG-CE1 4.34Å; L666-Y670 HydrophobicContact CG-CE2 3.93Å; L666-Y670 PolarHBondContact O-N 3.41Å; L666-Y670 VanDerWaalsContact O-N 3.1Å; L666-F685 HydrophobicContact CD2-CE2 4.24Å
667N85.7Confident85.7Confident8 Ų849.3 Ų49.34%0.04324%0.235CC..Hα-helixtrans-59-45.6172.6-167.3-71.4000111.7L663 W664 A665 L671 Y678 F685L663-N667 WeakPolarHBondContact O-CB 3.37Å; L663-N667 PolarHBondContact O-N 3.37Å; L663-N667 VanDerWaalsContact O-N 3.13Å; W664-N667 VanDerWaalsContact O-CB 3.29Å; W664-N667 WeakPolarHBondContact O-CB 3.49Å; W664-N667 PolarHBondContact O-N 3.34Å; A665-N667 VanDerWaalsContact C-N 3.31Å; A665-N667 PolarHBondContact O-N 2.97Å; N667-L671 PolarHBondContact O-N 3.41Å; N667-Y678 WeakPolarHBondContact OD1-CE2 3.36Å; N667-Y678 PolarHBondContact OD1-OH 3.36Å; N667-F685 HydrophobicContact CB-CE2 4.41Å; N667-F685 HydrophobicContact CB-CZ 4.05Å; N667-F685 WeakPolarHBondContact ND2-CE1 3.13Å; N667-F685 WeakPolarHBondContact ND2-CZ 3.32Å
668L85.9Confident85.7Confident21 Ų2150.4 Ų50.411%0.1124%0.239CC..Hα-helixtrans-74.9-33.8178.6-66.5-176.5000113.8W664 A665 L671 K672 F878 I940W664-L668 HydrophobicContact CD2-CD1 4.3Å; W664-L668 HydrophobicContact CE3-CD1 4.4Å; W664-L668 HydrophobicContact CH2-CD1 3.62Å; W664-L668 HydrophobicContact CZ2-CD1 3.48Å; W664-L668 VanDerWaalsContact CZ2-CD1 3.48Å; W664-L668 HydrophobicContact CZ3-CD1 4.09Å; W664-L668 PolarHBondContact O-N 2.76Å; A665-L668 PolarHBondContact O-N 2.89Å; A665-L668 VanDerWaalsContact O-N 3.13Å; L668-L671 HydrophobicContact CD2-CD2 4.39Å; L668-L671 WeakPolarHBondContact O-CB 3.47Å; L668-L671 PolarHBondContact O-N 3.42Å; L668-K672 PolarHBondContact O-N 3.47Å; L668-F878 HydrophobicContact CB-CZ 3.96Å; L668-I940 HydrophobicContact CD1-CG2 3.88Å
669I83.2Confident85.5Confident77 Ų7753.6 Ų53.640%0.39525%0.25SS..Hα-helixtrans-62.2-45.4174.2-71168.5000110.2A665 L666 L671 K672 F673 F878A665-I669 WeakPolarHBondContact O-CG1 3.2Å; A665-I669 PolarHBondContact O-N 3.46Å; L666-I669 PolarHBondContact O-N 2.94Å; I669-L671 VanDerWaalsContact C-N 3.27Å; I669-L671 PolarHBondContact O-N 3.28Å; I669-K672 PolarHBondContact O-N 3.25Å; I669-F673 VanDerWaalsContact O-CB 3.24Å; I669-F673 WeakPolarHBondContact O-CB 3.19Å; I669-F673 PolarHBondContact O-N 3.32Å; I669-F878 HydrophobicContact CD1-CD2 3.84Å; I669-F878 HydrophobicContact CD1-CE2 4.08Å; I669-F878 HydrophobicContact CD1-CG 4.21Å; I669-F878 HydrophobicContact CG1-CD2 3.67Å; I669-F878 HydrophobicContact CG1-CE2 3.42Å; I669-F878 VanDerWaalsContact CG1-CE2 3.42Å; I669-F878 HydrophobicContact CG1-CG 4.44Å; I669-F878 HydrophobicContact CG1-CZ 4.02Å
670Y84.7Confident85.3Confident79 Ų7952.7 Ų52.731%0.3126%0.26SS..Hα-helixtrans-60.5-35.5174.6-67.2-17.9000112.8L666 S674 L677 L681L666-Y670 HydrophobicContact CD2-CD2 4Å; L666-Y670 HydrophobicContact CD2-CE2 3.35Å; L666-Y670 HydrophobicContact CG-CE1 4.34Å; L666-Y670 HydrophobicContact CG-CE2 3.93Å; L666-Y670 PolarHBondContact O-N 3.41Å; L666-Y670 VanDerWaalsContact O-N 3.1Å; Y670-S674 CarbonylContact O-C 3.59Å; Y670-S674 PolarHBondContact O-N 2.94Å; Y670-L677 HydrophobicContact CD1-CD2 4.09Å; Y670-L677 HydrophobicContact CD2-CD2 4.35Å; Y670-L677 HydrophobicContact CG-CD2 4.02Å; Y670-L681 HydrophobicContact CD2-CD1 4.21Å; Y670-L681 HydrophobicContact CE2-CD1 3.8Å
671L84.5Confident85.1Confident20 Ų2056.5 Ų56.511%0.10528%0.28CS..Hα-helixtrans-67.7-46.3174.9177.661.9000112.8N667 L668 I669 F675 Y678 I948N667-L671 PolarHBondContact O-N 3.41Å; L668-L671 HydrophobicContact CD2-CD2 4.39Å; L668-L671 WeakPolarHBondContact O-CB 3.47Å; L668-L671 PolarHBondContact O-N 3.42Å; I669-L671 VanDerWaalsContact C-N 3.27Å; I669-L671 PolarHBondContact O-N 3.28Å; L671-F675 HydrophobicContact CD1-CD2 3.81Å; L671-F675 HydrophobicContact CD1-CE2 4.46Å; L671-Y678 HydrophobicContact CB-CD2 4.46Å; L671-Y678 HydrophobicContact CD1-CD1 4.47Å; L671-I948 HydrophobicContact CD2-CD1 4.3Å; L671-I948 HydrophobicContact CD2-CG1 4.45Å
672K84.6Confident84.9Confident22 Ų2256.8 Ų56.810%0.09628%0.283CS..Hα-helixtrans-66.1-41.1178-172.798.1-172.9-168.60110.9L668 I669 S870 L871 L943L668-K672 PolarHBondContact O-N 3.47Å; I669-K672 PolarHBondContact O-N 3.25Å; K672-S870 VanDerWaalsContact CE-O 3.28Å; K672-S870 WeakPolarHBondContact CE-O 3.37Å; K672-S870 PolarHBondContact NZ-O 2.78Å; K672-S870 PolarHBondContact NZ-OG 2.8Å; K672-S870 VanDerWaalsContact NZ-OG 3.08Å; K672-L871 HydrophobicContact CG-CD1 4.09Å; K672-L943 WeakPolarHBondContact CD-O 3.34Å; K672-L943 PolarHBondContact NZ-O 3.23Å
673F83.3Confident84.8Confident147 Ų14761.2 Ų61.265%0.64529%0.293SS*.Hα-helixtrans-73.2-53.2-178-173.8-98.9000113.5I669I669-F673 VanDerWaalsContact O-CB 3.24Å; I669-F673 WeakPolarHBondContact O-CB 3.19Å; I669-F673 PolarHBondContact O-N 3.32Å
674S82.9Confident84.7Confident38 Ų3861.7 Ų61.727%0.26630%0.303SS..  trans-161.4107.3179.5-1760000113.9Y670 R676 L677 Y678Y670-S674 CarbonylContact O-C 3.59Å; Y670-S674 PolarHBondContact O-N 2.94Å; S674-R676 PolarHBondContact O-N 3.4Å; S674-R676 VanDerWaalsContact O-N 3.08Å; S674-L677 PolarHBondContact O-N 3.34Å; S674-Y678 PolarHBondContact O-N 3.14Å; S674-Y678 VanDerWaalsContact O-N 3.1Å
675F81.2Confident84.6Confident75 Ų7562.4 Ų62.433%0.32931%0.306SS..Hα-helixtrans-55.7-27.6175.6-175.1-105.2000114.2L671 Y678 R679 T769L671-F675 HydrophobicContact CD1-CD2 3.81Å; L671-F675 HydrophobicContact CD1-CE2 4.46Å; F675-Y678 HydrophobicContact CD2-CD1 4.36Å; F675-Y678 HydrophobicContact CE2-CD1 4.38Å; F675-R679 PolarHBondContact O-N 3.17Å; F675-T769 HydrophobicContact CZ-CG2 4.25Å
676R81.5Confident84.6Confident223 Ų22362.2 Ų62.284%0.84231%0.305SS*.Hα-helixtrans-66.3-42.4175.5-70.8-173.9-178.61752.2112S674S674-R676 PolarHBondContact O-N 3.4Å; S674-R676 VanDerWaalsContact O-N 3.08Å
677L83.1Confident84.6Confident73 Ų7363.6 Ų63.638%0.38231%0.312SS..Hα-helixtrans-70.7-44.2180-173.6153.2000110.2Y670 S674 R679 G680 L681Y670-L677 HydrophobicContact CD1-CD2 4.09Å; Y670-L677 HydrophobicContact CD2-CD2 4.35Å; Y670-L677 HydrophobicContact CG-CD2 4.02Å; S674-L677 PolarHBondContact O-N 3.34Å; L677-R679 PolarHBondContact O-N 2.97Å; L677-G680 PolarHBondContact O-N 3.39Å; L677-G680 VanDerWaalsContact O-N 3.08Å; L677-L681 HydrophobicContact CD2-CD1 3.62Å; L677-L681 HydrophobicContact CD2-CG 4.33Å; L677-L681 HydrophobicContact CG-CD1 4.48Å; L677-L681 PolarHBondContact O-N 3.38Å
678Y85.5Confident84.6Confident25 Ų2567.3 Ų67.310%0.09834%0.335CS..Hα-helixtrans-50.8-50.3174.2-178.4-107.6000113I637 N667 L671 S674 F675 G680 L681 A682 W765I637-Y678 HydrophobicContact CD1-CE1 4.42Å; N667-Y678 WeakPolarHBondContact OD1-CE2 3.36Å; N667-Y678 PolarHBondContact OD1-OH 3.36Å; L671-Y678 HydrophobicContact CB-CD2 4.46Å; L671-Y678 HydrophobicContact CD1-CD1 4.47Å; S674-Y678 PolarHBondContact O-N 3.14Å; S674-Y678 VanDerWaalsContact O-N 3.1Å; F675-Y678 HydrophobicContact CD2-CD1 4.36Å; F675-Y678 HydrophobicContact CE2-CD1 4.38Å; Y678-G680 VanDerWaalsContact C-N 3.26Å; Y678-G680 PolarHBondContact O-N 3.03Å; Y678-L681 PolarHBondContact O-N 3.35Å; Y678-A682 PolarHBondContact O-N 2.81Å; Y678-W765 HydrophobicContact CE1-CH2 4.23Å; Y678-W765 HydrophobicContact CE1-CZ2 4.03Å
679R83.3Confident84.7Confident89 Ų8966.5 Ų66.534%0.33633%0.331SS..Hα-helixtrans-64.3-28.7-179.7-165.2-178.366.9113.16.1113.3F675 L677 W765 T769F675-R679 PolarHBondContact O-N 3.17Å; L677-R679 PolarHBondContact O-N 2.97Å; R679-W765 HydrophobicContact CG-CH2 4.11Å; R679-W765 HydrophobicContact CG-CZ3 4.24Å; R679-T769 WeakPolarHBondContact CD-OG1 3.37Å
680G83.5Confident84.8Confident62 Ų6263.5 Ų63.564%0.63932%0.316SS*.Hα-helixtrans-74.1-42.4177.900000113.5L677 Y678L677-G680 PolarHBondContact O-N 3.39Å; L677-G680 VanDerWaalsContact O-N 3.08Å; Y678-G680 VanDerWaalsContact C-N 3.26Å; Y678-G680 PolarHBondContact O-N 3.03Å
681L86.1Confident84.9Confident79 Ų7966.6 Ų66.641%0.41433%0.332SS..Hα-helixtrans-83-14.9-176-62.6-178.2000114.2Y670 L677 Y678 Y683 A684 F685Y670-L681 HydrophobicContact CD2-CD1 4.21Å; Y670-L681 HydrophobicContact CE2-CD1 3.8Å; L677-L681 HydrophobicContact CD2-CD1 3.62Å; L677-L681 HydrophobicContact CD2-CG 4.33Å; L677-L681 HydrophobicContact CG-CD1 4.48Å; L677-L681 PolarHBondContact O-N 3.38Å; Y678-L681 PolarHBondContact O-N 3.35Å; L681-Y683 VanDerWaalsContact C-N 3.34Å; L681-Y683 PolarHBondContact O-N 2.8Å; L681-A684 PolarHBondContact O-N 3.31Å; L681-A684 VanDerWaalsContact O-N 3.12Å; L681-F685 PolarHBondContact O-N 3.42Å
682A84.5Confident85Confident6 Ų668.3 Ų68.35%0.0534%0.337CS..Hα-helixtrans-53.9-40.7-171.400000114.8Y678 F685 W686 W765Y678-A682 PolarHBondContact O-N 2.81Å; A682-F685 PolarHBondContact O-N 2.86Å; A682-W686 PolarHBondContact O-N 2.9Å; A682-W686 PolarHBondContact O-NE1 3.01Å; A682-W765 HydrophobicContact CB-CH2 4.04Å; A682-W765 HydrophobicContact CB-CZ3 3.9Å
683Y86.1Confident85.2Confident126 Ų12667.3 Ų67.349%0.49433%0.333SS..Hα-helixtrans-66.1-43.9179.2-174.9-99.6000112.1L681 W686 L687 L758 H762L681-Y683 VanDerWaalsContact C-N 3.34Å; L681-Y683 PolarHBondContact O-N 2.8Å; Y683-W686 PolarHBondContact O-N 3.42Å; Y683-L687 HydrophobicContact CE1-CD2 4.49Å; Y683-L687 WeakPolarHBondContact O-CB 3.43Å; Y683-L687 PolarHBondContact O-N 3.32Å; Y683-L687 VanDerWaalsContact O-N 3.13Å; Y683-L758 HydrophobicContact CD2-CD2 4.08Å; Y683-L758 HydrophobicContact CE2-CD2 3.82Å; Y683-H762 AromaticContact CD2-CD2 3.79Å; Y683-H762 AromaticContact CD2-NE2 3.78Å
684A87.3Confident85.2Confident51 Ų5161.4 Ų61.442%0.42131%0.31SS..Hα-helixtrans-63-44177.100000111.1L681 W686 L687 T688L681-A684 PolarHBondContact O-N 3.31Å; L681-A684 VanDerWaalsContact O-N 3.12Å; A684-W686 PolarHBondContact O-N 3.04Å; A684-L687 PolarHBondContact O-N 3.4Å; A684-T688 WeakPolarHBondContact O-CG2 3.01Å; A684-T688 PolarHBondContact O-N 3.22Å; A684-T688 PolarHBondContact O-OG1 2.9Å
685F88.2Confident85.3Confident23 Ų2363.9 Ų63.910%0.10132%0.319CS..Hα-helixtrans-57.1-46.6177.9-175.6-91.2000112.8L644 L663 L666 N667 L681 A682 T688 L689L644-F685 HydrophobicContact CD2-CE1 4.42Å; L644-F685 HydrophobicContact CD2-CZ 4.21Å; L663-F685 HydrophobicContact CB-CE2 4.27Å; L663-F685 HydrophobicContact CB-CZ 4.24Å; L663-F685 HydrophobicContact CD2-CE2 4.14Å; L663-F685 WeakPolarHBondContact O-CE2 3.39Å; L663-F685 WeakPolarHBondContact O-CZ 3.43Å; L666-F685 HydrophobicContact CD2-CE2 4.24Å; N667-F685 HydrophobicContact CB-CE2 4.41Å; N667-F685 HydrophobicContact CB-CZ 4.05Å; N667-F685 WeakPolarHBondContact ND2-CE1 3.13Å; N667-F685 WeakPolarHBondContact ND2-CZ 3.32Å; L681-F685 PolarHBondContact O-N 3.42Å; A682-F685 PolarHBondContact O-N 2.86Å; F685-T688 PolarHBondContact O-OG1 3.05Å; F685-T688 VanDerWaalsContact O-OG1 3.06Å; F685-L689 HydrophobicContact CE1-CD2 4.43Å; F685-L689 VanDerWaalsContact O-CB 3.28Å; F685-L689 WeakPolarHBondContact O-CB 3.46Å; F685-L689 PolarHBondContact O-N 3.36Å
686W86.8Confident85.5Confident1 Ų161 Ų610%0.00431%0.307CS..Hα-helixtrans-69.8-33.9178.5-58.4125.6000112.8I637 V640 A682 Y683 A684 L689 T690 Q757 L758I637-W686 HydrophobicContact CD1-CZ2 4.23Å; I637-W686 HydrophobicContact CG1-CZ2 3.83Å; V640-W686 HydrophobicContact CB-CH2 4.06Å; V640-W686 HydrophobicContact CB-CZ3 3.97Å; V640-W686 HydrophobicContact CG1-CE3 3.72Å; V640-W686 HydrophobicContact CG1-CH2 3.93Å; V640-W686 HydrophobicContact CG1-CZ3 3.31Å; A682-W686 PolarHBondContact O-N 2.9Å; A682-W686 PolarHBondContact O-NE1 3.01Å; Y683-W686 PolarHBondContact O-N 3.42Å; A684-W686 PolarHBondContact O-N 3.04Å; W686-L689 HydrophobicContact CE3-CD2 4.05Å; W686-L689 HydrophobicContact CZ3-CD2 4.06Å; W686-T690 PolarHBondContact O-N 3.36Å; W686-T690 VanDerWaalsContact O-N 3.08Å; W686-T690 PolarHBondContact O-OG1 3.18Å; W686-Q757 HydrophobicContact CD2-CG 4.31Å; W686-Q757 HydrophobicContact CG-CG 4.15Å; W686-L758 HydrophobicContact CB-CD1 4.49Å; W686-L758 HydrophobicContact CB-CD2 3.88Å; W686-L758 HydrophobicContact CB-CG 4.05Å
687L85.3Confident85.6Confident90 Ų9050.7 Ų50.747%0.47127%0.269SS..Hα-helixtrans-68.8-47.4176.3-177.663.4000111.9Y683 A684 L689 T690 F691Y683-L687 HydrophobicContact CE1-CD2 4.49Å; Y683-L687 WeakPolarHBondContact O-CB 3.43Å; Y683-L687 PolarHBondContact O-N 3.32Å; Y683-L687 VanDerWaalsContact O-N 3.13Å; A684-L687 PolarHBondContact O-N 3.4Å; L687-L689 VanDerWaalsContact C-N 3.33Å; L687-L689 PolarHBondContact O-N 3.05Å; L687-T690 PolarHBondContact O-N 3.07Å; L687-F691 PolarHBondContact O-N 3.08Å
688T85.7Confident85.6Confident87 Ų8750.8 Ų50.853%0.53427%0.269SS..Hα-helixtrans-63.2-39.6177.350.10000111.6A684 F685 F691 Y692A684-T688 WeakPolarHBondContact O-CG2 3.01Å; A684-T688 PolarHBondContact O-N 3.22Å; A684-T688 PolarHBondContact O-OG1 2.9Å; F685-T688 PolarHBondContact O-OG1 3.05Å; F685-T688 VanDerWaalsContact O-OG1 3.06Å; T688-F691 PolarHBondContact O-N 3.45Å; T688-Y692 WeakPolarHBondContact O-CB 3.35Å; T688-Y692 PolarHBondContact O-N 2.82Å
689L88.4Confident85.5Confident3 Ų351.5 Ų51.52%0.01628%0.281CS..Hα-helixtrans-62.7-44.1175.5-176.260.4000111.8L644 F660 L663 F685 W686 L687 F691 Y692 T693 L750 T754L644-L689 HydrophobicContact CD1-CD1 4.05Å; L644-L689 HydrophobicContact CD1-CD2 4.19Å; L644-L689 HydrophobicContact CD2-CD2 4.38Å; F660-L689 HydrophobicContact CD1-CD1 3.96Å; F660-L689 HydrophobicContact CE1-CD1 3.78Å; L663-L689 HydrophobicContact CD1-CD1 4.35Å; F685-L689 HydrophobicContact CE1-CD2 4.43Å; F685-L689 VanDerWaalsContact O-CB 3.28Å; F685-L689 WeakPolarHBondContact O-CB 3.46Å; F685-L689 PolarHBondContact O-N 3.36Å; W686-L689 HydrophobicContact CE3-CD2 4.05Å; W686-L689 HydrophobicContact CZ3-CD2 4.06Å; L687-L689 VanDerWaalsContact C-N 3.33Å; L687-L689 PolarHBondContact O-N 3.05Å; L689-F691 PolarHBondContact O-N 3.48Å; L689-Y692 PolarHBondContact O-N 3.23Å; L689-T693 WeakPolarHBondContact O-CG2 3.48Å; L689-T693 PolarHBondContact O-N 2.99Å; L689-T693 PolarHBondContact O-OG1 3.38Å; L689-L750 HydrophobicContact CD1-CD2 4.42Å; L689-L750 HydrophobicContact CD2-CD1 4.5Å; L689-T754 HydrophobicContact CD2-CG2 3.69Å; L689-T754 HydrophobicContact CG-CG2 4.06Å
690T85.1Confident85.5Confident15 Ų1547.5 Ų47.59%0.09227%0.266CS..Hα-helixtrans-63.4-43.7177.7-53.10000111.4W686 L687 T693 S694 F751 T754 L758W686-T690 PolarHBondContact O-N 3.36Å; W686-T690 VanDerWaalsContact O-N 3.08Å; W686-T690 PolarHBondContact O-OG1 3.18Å; L687-T690 PolarHBondContact O-N 3.07Å; T690-T693 PolarHBondContact O-N 3.34Å; T690-T693 PolarHBondContact O-OG1 2.72Å; T690-S694 PolarHBondContact O-N 3.04Å; T690-S694 PolarHBondContact O-OG 3.34Å; T690-F751 HydrophobicContact CG2-CD2 3.72Å; T690-F751 HydrophobicContact CG2-CE2 3.77Å; T690-T754 VanDerWaalsContact OG1-CB 3.27Å; T690-T754 WeakPolarHBondContact OG1-CB 3.19Å; T690-T754 PolarHBondContact OG1-OG1 3.44Å; T690-L758 WeakPolarHBondContact OG1-CD1 3.43Å
691F85.4Confident85.4Confident144 Ų14444.7 Ų44.763%0.63224%0.236SC*.Hα-helixtrans-62.3-44.2176.2-176.6-108.8000112.2L687 T688 L689 T693 S694 I695L687-F691 PolarHBondContact O-N 3.08Å; T688-F691 PolarHBondContact O-N 3.45Å; L689-F691 PolarHBondContact O-N 3.48Å; F691-T693 PolarHBondContact O-N 2.98Å; F691-S694 WeakPolarHBondContact O-CB 3.31Å; F691-S694 PolarHBondContact O-N 3.16Å; F691-I695 HydrophobicContact CD1-CD1 4.03Å; F691-I695 HydrophobicContact CE1-CD1 3.57Å; F691-I695 HydrophobicContact CZ-CD1 3.92Å; F691-I695 PolarHBondContact O-N 3.15Å
692Y88.2Confident85.4Confident56 Ų5644 Ų4422%0.2223%0.232CC..Hα-helixtrans-59-46.3175.6-178.3-117.7000112.2Y656 L659 F660 T688 L689 S694 I695 V696Y656-Y692 WeakPolarHBondContact CA-OH 3.25Å; Y656-Y692 VanDerWaalsContact CB-OH 3.23Å; Y656-Y692 WeakPolarHBondContact CB-OH 3.28Å; L659-Y692 HydrophobicContact CD2-CE1 4.5Å; L659-Y692 HydrophobicContact CD2-CE2 4.2Å; F660-Y692 HydrophobicContact CD1-CD1 4.28Å; F660-Y692 HydrophobicContact CD1-CE1 4.07Å; F660-Y692 AromaticContact CE1-CD1 3.54Å; F660-Y692 HydrophobicContact CE1-CD1 3.54Å; F660-Y692 AromaticContact CE1-CE1 3.56Å; F660-Y692 HydrophobicContact CE1-CE1 3.56Å; F660-Y692 HydrophobicContact CE2-CE1 4.15Å; F660-Y692 AromaticContact CZ-CD1 3.84Å; F660-Y692 HydrophobicContact CZ-CD1 3.84Å; F660-Y692 AromaticContact CZ-CE1 3.6Å; F660-Y692 HydrophobicContact CZ-CE1 3.6Å; T688-Y692 WeakPolarHBondContact O-CB 3.35Å; T688-Y692 PolarHBondContact O-N 2.82Å; L689-Y692 PolarHBondContact O-N 3.23Å; Y692-S694 VanDerWaalsContact C-N 3.29Å; Y692-S694 PolarHBondContact O-N 3.17Å; Y692-I695 PolarHBondContact O-N 2.71Å; Y692-I695 VanDerWaalsContact O-N 3.15Å; Y692-V696 HydrophobicContact CE1-CG2 4.31Å; Y692-V696 HydrophobicContact CE2-CG2 4.24Å; Y692-V696 PolarHBondContact O-N 2.99Å; Y692-V696 VanDerWaalsContact O-N 3.1Å
693T87.5Confident85.3Confident0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-61-34.7176.256.60000113.5F660 L689 T690 F691 V696 I697 L750F660-T693 HydrophobicContact CE1-CG2 4.14Å; F660-T693 HydrophobicContact CZ-CG2 4.14Å; L689-T693 WeakPolarHBondContact O-CG2 3.48Å; L689-T693 PolarHBondContact O-N 2.99Å; L689-T693 PolarHBondContact O-OG1 3.38Å; T690-T693 PolarHBondContact O-N 3.34Å; T690-T693 PolarHBondContact O-OG1 2.72Å; F691-T693 PolarHBondContact O-N 2.98Å; T693-V696 PolarHBondContact O-N 3.17Å; T693-I697 WeakPolarHBondContact O-CD1 3.3Å; T693-I697 VanDerWaalsContact O-CG1 3.27Å; T693-I697 WeakPolarHBondContact O-CG1 3.31Å; T693-I697 PolarHBondContact O-N 3.34Å; T693-L750 HydrophobicContact CG2-CB 4.3Å; T693-L750 HydrophobicContact CG2-CD2 3.68Å; T693-L750 HydrophobicContact CG2-CG 3.88Å
694S83.6Confident85Confident24 Ų2439 Ų3917%0.16821%0.211CC..Hα-helixtrans-65.8-38175.8-61.60000112.5T690 F691 Y692 I698 F751T690-S694 PolarHBondContact O-N 3.04Å; T690-S694 PolarHBondContact O-OG 3.34Å; F691-S694 WeakPolarHBondContact O-CB 3.31Å; F691-S694 PolarHBondContact O-N 3.16Å; Y692-S694 VanDerWaalsContact C-N 3.29Å; Y692-S694 PolarHBondContact O-N 3.17Å; S694-I698 WeakPolarHBondContact O-CD1 3.42Å; S694-I698 VanDerWaalsContact O-CG1 3.3Å; S694-I698 WeakPolarHBondContact O-CG1 3.29Å; S694-I698 PolarHBondContact O-N 3.49Å; S694-F751 VanDerWaalsContact OG-CE2 3.25Å; S694-F751 WeakPolarHBondContact OG-CE2 3.08Å
695I84.9Confident84.6Confident89 Ų8937.5 Ų37.546%0.45620%0.196SC..Hα-helixtrans-65.7-45.4175.9-66.9173.1000110.5F691 Y692 I697 I698 A699F691-I695 HydrophobicContact CD1-CD1 4.03Å; F691-I695 HydrophobicContact CE1-CD1 3.57Å; F691-I695 HydrophobicContact CZ-CD1 3.92Å; F691-I695 PolarHBondContact O-N 3.15Å; Y692-I695 PolarHBondContact O-N 2.71Å; Y692-I695 VanDerWaalsContact O-N 3.15Å; I695-I697 PolarHBondContact O-N 3.32Å; I695-I698 PolarHBondContact O-N 3.12Å; I695-A699 WeakPolarHBondContact O-CB 3.49Å; I695-A699 PolarHBondContact O-N 3.37Å
696V85Confident83.9Confident14 Ų1439.2 Ų39.29%0.08521%0.209CC..Hα-helixtrans-60-46.2178.7174.30000111.5Y692 T693 I698 A699 L700 P747Y692-V696 HydrophobicContact CE1-CG2 4.31Å; Y692-V696 HydrophobicContact CE2-CG2 4.24Å; Y692-V696 PolarHBondContact O-N 2.99Å; Y692-V696 VanDerWaalsContact O-N 3.1Å; T693-V696 PolarHBondContact O-N 3.17Å; V696-I698 PolarHBondContact O-N 2.91Å; V696-A699 PolarHBondContact O-N 3.24Å; V696-L700 HydrophobicContact CG1-CD1 3.78Å; V696-L700 HydrophobicContact CG1-CG 4.37Å; V696-L700 WeakPolarHBondContact O-CB 3.25Å; V696-L700 WeakPolarHBondContact O-CG 3.24Å; V696-L700 PolarHBondContact O-N 3.05Å; V696-P747 HydrophobicContact CG1-CG 4.4Å
697I84.5Confident83.3Confident7 Ų741.3 Ų41.34%0.03623%0.231CC..Hα-helixtrans-58.4-45.7177.2-69.6162.9000111.5T693 I695 Y701 L744 P747 I748 F751T693-I697 WeakPolarHBondContact O-CD1 3.3Å; T693-I697 VanDerWaalsContact O-CG1 3.27Å; T693-I697 WeakPolarHBondContact O-CG1 3.31Å; T693-I697 PolarHBondContact O-N 3.34Å; I695-I697 PolarHBondContact O-N 3.32Å; I697-Y701 PolarHBondContact O-N 3.38Å; I697-L744 HydrophobicContact CB-CD2 4.42Å; I697-L744 HydrophobicContact CG2-CD2 4.07Å; I697-P747 HydrophobicContact CD1-CB 4.22Å; I697-P747 HydrophobicContact CG1-CB 3.69Å; I697-I748 HydrophobicContact CD1-CG1 3.88Å; I697-I748 HydrophobicContact CG1-CG1 4.22Å; I697-F751 HydrophobicContact CD1-CB 4.22Å
698I82.6Confident82.9Confident75 Ų7539 Ų3939%0.38522%0.221SC..Hα-helixtrans-69.1-42.4-178.1-69.2168.5000111.1S694 I695 V696 I702S694-I698 WeakPolarHBondContact O-CD1 3.42Å; S694-I698 VanDerWaalsContact O-CG1 3.3Å; S694-I698 WeakPolarHBondContact O-CG1 3.29Å; S694-I698 PolarHBondContact O-N 3.49Å; I695-I698 PolarHBondContact O-N 3.12Å; V696-I698 PolarHBondContact O-N 2.91Å; I698-I702 HydrophobicContact CG2-CD1 3.6Å; I698-I702 HydrophobicContact CG2-CG1 4.38Å; I698-I702 WeakPolarHBondContact O-CB 3.43Å; I698-I702 VanDerWaalsContact O-CG1 3.31Å; I698-I702 WeakPolarHBondContact O-CG1 3.45Å; I698-I702 PolarHBondContact O-N 3.22Å
699A82.7Confident82.4Confident41 Ų4135.4 Ų35.434%0.33920%0.199SC..Hα-helixtrans-62.9-46.9178.800000112.1I695 V696 Y701 I702 Y703I695-A699 WeakPolarHBondContact O-CB 3.49Å; I695-A699 PolarHBondContact O-N 3.37Å; V696-A699 PolarHBondContact O-N 3.24Å; A699-Y701 PolarHBondContact O-N 3.2Å; A699-I702 PolarHBondContact O-N 3.37Å; A699-Y703 PolarHBondContact O-N 3.05Å; A699-Y703 VanDerWaalsContact O-N 3.08Å
700L83.4Confident81.9Confident5 Ų540.7 Ų40.73%0.02622%0.223CC..Hα-helixtrans-62.9-40.7179.7-71.3172000112.6V696 Q704 G727 L744V696-L700 HydrophobicContact CG1-CD1 3.78Å; V696-L700 HydrophobicContact CG1-CG 4.37Å; V696-L700 WeakPolarHBondContact O-CB 3.25Å; V696-L700 WeakPolarHBondContact O-CG 3.24Å; V696-L700 PolarHBondContact O-N 3.05Å; L700-Q704 WeakPolarHBondContact O-CG 3.48Å; L700-Q704 PolarHBondContact O-NE2 3.22Å; L700-Q704 VanDerWaalsContact O-NE2 3.1Å; L700-G727 WeakPolarHBondContact CD2-O 3.4Å; L700-L744 HydrophobicContact CB-CD2 4.31Å
701Y82.7Confident81.7Confident2 Ų247.3 Ų47.31%0.00825%0.247CC..Hα-helixtrans-68.6-44.4176.6-173.4-77.2000111.7A478 H482 S483 L487 L490 I697 A699 Y703 Q704 F705A478-Y701 PolarHBondContact O-OH 3.34Å; H482-Y701 AromaticContact CD2-CE2 3.95Å; H482-Y701 AromaticContact CD2-CZ 3.69Å; H482-Y701 AromaticContact NE2-CE1 3.96Å; S483-Y701 PolarHBondContact O-OH 3.43Å; L487-Y701 HydrophobicContact CB-CE1 3.9Å; L487-Y701 HydrophobicContact CD1-CD1 3.82Å; L487-Y701 HydrophobicContact CD1-CE1 3.79Å; L487-Y701 HydrophobicContact CG-CE1 4.35Å; L487-Y701 PolarHBondContact N-OH 3.15Å; L490-Y701 HydrophobicContact CD2-CD1 4.09Å; L490-Y701 HydrophobicContact CD2-CD2 3.53Å; L490-Y701 HydrophobicContact CD2-CE1 4.42Å; L490-Y701 HydrophobicContact CD2-CE2 3.88Å; L490-Y701 HydrophobicContact CD2-CG 3.65Å; I697-Y701 PolarHBondContact O-N 3.38Å; A699-Y701 PolarHBondContact O-N 3.2Å; Y701-Y703 VanDerWaalsContact C-N 3.28Å; Y701-Y703 PolarHBondContact O-N 3.21Å; Y701-Q704 PolarHBondContact O-N 3.01Å; Y701-F705 HydrophobicContact CD1-CE2 4.26Å; Y701-F705 AromaticContact CE1-CE2 3.86Å; Y701-F705 HydrophobicContact CE1-CE2 3.86Å; Y701-F705 HydrophobicContact CE1-CZ 4.27Å
702I84.6Confident81.4Confident65 Ų6541.9 Ų41.933%0.33322%0.224SC..Hα-helixtrans-64.5-31.8-179.2-74.8176.1000112.2I698 A699 Q704 F705 V708I698-I702 HydrophobicContact CG2-CD1 3.6Å; I698-I702 HydrophobicContact CG2-CG1 4.38Å; I698-I702 WeakPolarHBondContact O-CB 3.43Å; I698-I702 VanDerWaalsContact O-CG1 3.31Å; I698-I702 WeakPolarHBondContact O-CG1 3.45Å; I698-I702 PolarHBondContact O-N 3.22Å; A699-I702 PolarHBondContact O-N 3.37Å; I702-Q704 PolarHBondContact O-N 3.1Å; I702-F705 PolarHBondContact O-N 3.24Å; I702-V708 HydrophobicContact CG2-CG1 3.82Å
703Y83.3Confident81.1Confident11 Ų1142.7 Ų42.74%0.04323%0.232CC..Hα-helixtrans-64.9-23.7-179.4-163-100.2000113.9A699 Y701 F705 I712 L728 V729 D730A699-Y703 PolarHBondContact O-N 3.05Å; A699-Y703 VanDerWaalsContact O-N 3.08Å; Y701-Y703 VanDerWaalsContact C-N 3.28Å; Y701-Y703 PolarHBondContact O-N 3.21Å; Y703-F705 VanDerWaalsContact C-N 3.29Å; Y703-F705 PolarHBondContact O-N 2.85Å; Y703-I712 HydrophobicContact CD2-CD1 3.69Å; Y703-I712 HydrophobicContact CE2-CD1 3.94Å; Y703-L728 HydrophobicContact CD2-CB 4.08Å; Y703-L728 HydrophobicContact CD2-CD2 4.17Å; Y703-L728 HydrophobicContact CE1-CB 4.38Å; Y703-L728 WeakPolarHBondContact CE1-O 3.34Å; Y703-L728 HydrophobicContact CE2-CB 3.93Å; Y703-L728 HydrophobicContact CG-CB 4.38Å; Y703-L728 HydrophobicContact CG-CD2 4.32Å; Y703-L728 PolarHBondContact OH-O 3.36Å; Y703-V729 WeakPolarHBondContact CD1-O 3.26Å; Y703-D730 HydrophobicContact CE1-CB 4.41Å
704Q80.6Confident80.9Confident15 Ų1552 Ų527%0.0727%0.266CS..THydrogen-bonded Turntrans-77.4-8-176.1-49.3-52.8-5900114.4L700 Y701 I702 P706 V729 L740L700-Q704 WeakPolarHBondContact O-CG 3.48Å; L700-Q704 PolarHBondContact O-NE2 3.22Å; L700-Q704 VanDerWaalsContact O-NE2 3.1Å; Y701-Q704 PolarHBondContact O-N 3.01Å; I702-Q704 PolarHBondContact O-N 3.1Å; Q704-P706 WeakPolarHBondContact O-CD 3.45Å; Q704-V729 PolarHBondContact NE2-O 2.87Å; Q704-L740 HydrophobicContact CG-CD1 3.68Å; Q704-L740 HydrophobicContact CG-CD2 4.43Å
705F78.2Confident80.9Confident21 Ų2155.5 Ų55.59%0.09228%0.284CS..SBendtrans-76.4120.7170.4-72.1-85.6000109H482 I484 Y701 I702 Y703 G707 V708 S709H482-F705 AromaticContact CE1-CD1 3.81Å; H482-F705 AromaticContact CE1-CD2 3.84Å; H482-F705 AromaticContact CE1-CE1 3.63Å; H482-F705 AromaticContact CE1-CE2 3.67Å; H482-F705 AromaticContact CE1-CG 3.91Å; H482-F705 AromaticContact CE1-CZ 3.57Å; H482-F705 AromaticContact NE2-CD2 3.84Å; H482-F705 AromaticContact NE2-CE2 3.52Å; H482-F705 AromaticContact NE2-CZ 3.76Å; I484-F705 HydrophobicContact CG1-CE1 3.68Å; I484-F705 HydrophobicContact CG1-CZ 4Å; Y701-F705 HydrophobicContact CD1-CE2 4.26Å; Y701-F705 AromaticContact CE1-CE2 3.86Å; Y701-F705 HydrophobicContact CE1-CE2 3.86Å; Y701-F705 HydrophobicContact CE1-CZ 4.27Å; I702-F705 PolarHBondContact O-N 3.24Å; Y703-F705 VanDerWaalsContact C-N 3.29Å; Y703-F705 PolarHBondContact O-N 2.85Å; F705-G707 PolarHBondContact O-N 3.5Å; F705-G707 VanDerWaalsContact O-N 3.12Å; F705-V708 HydrophobicContact CB-CB 4.11Å; F705-V708 HydrophobicContact CB-CG2 3.75Å; F705-V708 WeakPolarHBondContact O-CA 3.45Å; F705-V708 WeakPolarHBondContact O-CB 3.46Å; F705-V708 PolarHBondContact O-N 3.14Å; F705-S709 PolarHBondContact O-N 3.03Å; F705-S709 VanDerWaalsContact O-N 3.12Å
706P73.1Confident80.4Confident58 Ų5854 Ų5438%0.37728%0.279SS..Hα-helixtrans-64.5-23.6-174.624-34000113.2Q704 V708 S709 Q710Q704-P706 WeakPolarHBondContact O-CD 3.45Å; P706-V708 VanDerWaalsContact C-N 3.32Å; P706-S709 PolarHBondContact O-OG 2.9Å; P706-Q710 WeakPolarHBondContact O-CB 3.45Å; P706-Q710 VanDerWaalsContact O-CG 3.24Å; P706-Q710 WeakPolarHBondContact O-CG 3.33Å; P706-Q710 PolarHBondContact O-N 3.32Å
707G74.3Confident80Confident45 Ų4559 Ų5946%0.46431%0.314SS..Hα-helixtrans-72-22.6170.300000114.1F705 W711F705-G707 PolarHBondContact O-N 3.5Å; F705-G707 VanDerWaalsContact O-N 3.12Å; G707-W711 VanDerWaalsContact O-CB 3.27Å; G707-W711 WeakPolarHBondContact O-CB 3.39Å; G707-W711 PolarHBondContact O-N 3.41Å
708V77.7Confident79.5Confident43 Ų4362 Ų6226%0.26133%0.33SS..Hα-helixtrans-92.2-40.9-178.6-177.80000111.7I702 F705 P706 Q710 W711 I712I702-V708 HydrophobicContact CG2-CG1 3.82Å; F705-V708 HydrophobicContact CB-CB 4.11Å; F705-V708 HydrophobicContact CB-CG2 3.75Å; F705-V708 WeakPolarHBondContact O-CA 3.45Å; F705-V708 WeakPolarHBondContact O-CB 3.46Å; F705-V708 PolarHBondContact O-N 3.14Å; P706-V708 VanDerWaalsContact C-N 3.32Å; V708-Q710 VanDerWaalsContact C-N 3.34Å; V708-Q710 PolarHBondContact O-N 3.06Å; V708-W711 WeakPolarHBondContact O-CB 3.4Å; V708-W711 PolarHBondContact O-N 2.73Å; V708-W711 VanDerWaalsContact O-N 3.11Å; V708-I712 HydrophobicContact CG1-CD1 4.12Å; V708-I712 HydrophobicContact CG1-CG1 4.44Å; V708-I712 WeakPolarHBondContact O-CG1 3.21Å; V708-I712 PolarHBondContact O-N 3.41Å
709S75.8Confident79.4Confident11 Ų1161 Ų618%0.07733%0.33CS..Hα-helixtrans-58.6-47172.758.20000110.9F705 P706 W711 I712 I713F705-S709 PolarHBondContact O-N 3.03Å; F705-S709 VanDerWaalsContact O-N 3.12Å; P706-S709 PolarHBondContact O-OG 2.9Å; S709-W711 VanDerWaalsContact C-N 3.32Å; S709-W711 PolarHBondContact O-N 3.17Å; S709-I712 PolarHBondContact O-N 2.95Å; S709-I713 WeakPolarHBondContact O-CG1 3.23Å; S709-I713 PolarHBondContact O-N 2.89Å
710Q76Confident79.1Confident113 Ų11365.5 Ų65.553%0.52834%0.344SS..Hα-helixtrans-61.5-34.5172.8-69.3-177.517.500113.6P706 V708 R714P706-Q710 WeakPolarHBondContact O-CB 3.45Å; P706-Q710 VanDerWaalsContact O-CG 3.24Å; P706-Q710 WeakPolarHBondContact O-CG 3.33Å; P706-Q710 PolarHBondContact O-N 3.32Å; V708-Q710 VanDerWaalsContact C-N 3.34Å; V708-Q710 PolarHBondContact O-N 3.06Å; Q710-R714 WeakPolarHBondContact O-CB 3.42Å; Q710-R714 PolarHBondContact O-N 3.4Å
711W81.5Confident78.8Confident154 Ų15472.3 Ų72.358%0.58338%0.375SS*.Hα-helixtrans-70.2-41.817718093.3000112G707 V708 S709 R714 N715G707-W711 VanDerWaalsContact O-CB 3.27Å; G707-W711 WeakPolarHBondContact O-CB 3.39Å; G707-W711 PolarHBondContact O-N 3.41Å; V708-W711 WeakPolarHBondContact O-CB 3.4Å; V708-W711 PolarHBondContact O-N 2.73Å; V708-W711 VanDerWaalsContact O-N 3.11Å; S709-W711 VanDerWaalsContact C-N 3.32Å; S709-W711 PolarHBondContact O-N 3.17Å; W711-R714 PolarHBondContact O-N 3.43Å; W711-N715 PolarHBondContact NE1-ND2 3.43Å; W711-N715 VanDerWaalsContact NE1-ND2 3.14Å; W711-N715 VanDerWaalsContact O-CB 3.3Å; W711-N715 WeakPolarHBondContact O-CB 3.44Å; W711-N715 PolarHBondContact O-N 2.99Å
712I80Confident78.8Confident31 Ų3178 Ų7816%0.15940%0.397CS..Hα-helixtrans-62.3-50.5176-69.2170000110.1Y703 V708 S709 R714 N715 T716 L723Y703-I712 HydrophobicContact CD2-CD1 3.69Å; Y703-I712 HydrophobicContact CE2-CD1 3.94Å; V708-I712 HydrophobicContact CG1-CD1 4.12Å; V708-I712 HydrophobicContact CG1-CG1 4.44Å; V708-I712 WeakPolarHBondContact O-CG1 3.21Å; V708-I712 PolarHBondContact O-N 3.41Å; S709-I712 PolarHBondContact O-N 2.95Å; I712-R714 VanDerWaalsContact C-N 3.33Å; I712-R714 PolarHBondContact O-N 3.01Å; I712-N715 PolarHBondContact O-N 3.12Å; I712-T716 HydrophobicContact CG2-CG2 4.25Å; I712-T716 WeakPolarHBondContact O-CB 3.45Å; I712-T716 WeakPolarHBondContact O-CG2 3.42Å; I712-T716 PolarHBondContact O-N 2.77Å; I712-T716 PolarHBondContact O-OG1 3.18Å; I712-L723 HydrophobicContact CG2-CD2 4.17Å
713I80.9Confident78.7Confident73 Ų7374.9 Ų74.937%0.37438%0.381SS..Hα-helixtrans-59.5-45.2179.8-66.1164.8000110.4S709 L723S709-I713 WeakPolarHBondContact O-CG1 3.23Å; S709-I713 PolarHBondContact O-N 2.89Å; I713-L723 HydrophobicContact CG1-CD1 3.82Å
714R83.4Confident78.4Confident194 Ų19477.4 Ų77.473%0.73240%0.395SS*.Hα-helixtrans-68.5-34.8-178.8-168.7178.1-58.3-175.74.5114Q710 W711 I712Q710-R714 WeakPolarHBondContact O-CB 3.42Å; Q710-R714 PolarHBondContact O-N 3.4Å; W711-R714 PolarHBondContact O-N 3.43Å; I712-R714 VanDerWaalsContact C-N 3.33Å; I712-R714 PolarHBondContact O-N 3.01Å
715N84.2Confident78.3Confident99 Ų9976.9 Ų76.953%0.52939%0.393SS..Hα-helixtrans-97.8-23.9-174-73.96.7000114.8W711 I712W711-N715 PolarHBondContact NE1-ND2 3.43Å; W711-N715 VanDerWaalsContact NE1-ND2 3.14Å; W711-N715 VanDerWaalsContact O-CB 3.3Å; W711-N715 WeakPolarHBondContact O-CB 3.44Å; W711-N715 PolarHBondContact O-N 2.99Å; I712-N715 PolarHBondContact O-N 3.12Å
716T74.9Confident78.5Confident58 Ų5878.7 Ų78.736%0.35640%0.404SS..Hα-helixtrans-101.9-12.2-174.166.40000114.3I712 L718I712-T716 HydrophobicContact CG2-CG2 4.25Å; I712-T716 WeakPolarHBondContact O-CB 3.45Å; I712-T716 WeakPolarHBondContact O-CG2 3.42Å; I712-T716 PolarHBondContact O-N 2.77Å; I712-T716 PolarHBondContact O-OG1 3.18Å; T716-L718 PolarHBondContact O-N 3.21Å
717S75.3Confident78.7Confident118 Ų11876 Ų7683%0.82539%0.387SS*.  trans57.510-176.165.90000116.1S719S717-S719 PolarHBondContact O-N 3.33Å
718L75Confident79Confident69 Ų6975.6 Ų75.636%0.36137%0.374SS..  trans-70.4122.9173.1-68.2171.2000110.1T716 W722 L723 I726T716-L718 PolarHBondContact O-N 3.21Å; L718-W722 HydrophobicContact CD2-CB 4.5Å; L718-L723 HydrophobicContact CB-CD1 4.43Å; L718-L723 HydrophobicContact CB-CD2 4.33Å; L718-L723 HydrophobicContact CB-CG 4.1Å; L718-L723 HydrophobicContact CD1-CD2 4.22Å; L718-I726 HydrophobicContact CD1-CD1 4.49Å
719S79.5Confident78.9Confident55 Ų5575.3 Ų75.339%0.38537%0.372SS..  trans-58.6151.7169.756.40000111.6S717 E721 W722 L723S717-S719 PolarHBondContact O-N 3.33Å; S719-E721 PolarHBondContact O-N 3.34Å; S719-W722 PolarHBondContact O-N 2.88Å; S719-W722 VanDerWaalsContact O-N 3.1Å; S719-L723 PolarHBondContact O-N 3Å; S719-L723 VanDerWaalsContact O-N 3.13Å
720Q77.1Confident78.8Confident135 Ų13576.8 Ų76.863%0.63138%0.379SS*.Hα-helixtrans-59.4-31.8179.5-167.2165.9-1600113.3L723 N724Q720-L723 PolarHBondContact O-N 3.21Å; Q720-N724 WeakPolarHBondContact O-CB 3.31Å; Q720-N724 PolarHBondContact O-N 2.62Å; Q720-N724 PolarHBondContact O-OD1 2.76Å
721E77.2Confident78.7Confident149 Ų14971.9 Ų71.970%0.69636%0.356SS*.Hα-helixtrans-59.2-49172.7-67.2164.3-159.100112.7S719 L723 N724 A725S719-E721 PolarHBondContact O-N 3.34Å; E721-L723 VanDerWaalsContact C-N 3.34Å; E721-L723 PolarHBondContact O-N 3.19Å; E721-N724 WeakPolarHBondContact O-CB 3.28Å; E721-N724 PolarHBondContact O-N 3.06Å; E721-A725 PolarHBondContact O-N 2.91Å
722W83Confident78Confident120 Ų12072.7 Ų72.746%0.45536%0.359SS..Hα-helixtrans-64.2-36.1174.9-88.797.6000112.7F655 L718 S719 I726 I891F655-W722 HydrophobicContact CE2-CE3 4.42Å; F655-W722 AromaticContact CE2-CZ3 3.89Å; F655-W722 HydrophobicContact CE2-CZ3 3.89Å; F655-W722 HydrophobicContact CZ-CZ3 4.14Å; L718-W722 HydrophobicContact CD2-CB 4.5Å; S719-W722 PolarHBondContact O-N 2.88Å; S719-W722 VanDerWaalsContact O-N 3.1Å; W722-I726 WeakPolarHBondContact O-CB 3.33Å; W722-I726 WeakPolarHBondContact O-CD1 3.12Å; W722-I726 WeakPolarHBondContact O-CG1 3.21Å; W722-I726 PolarHBondContact O-N 3.02Å; W722-I891 HydrophobicContact CD2-CD1 4.1Å; W722-I891 HydrophobicContact CE3-CD1 4.03Å; W722-I891 HydrophobicContact CH2-CD1 4.04Å; W722-I891 HydrophobicContact CZ2-CD1 4.1Å; W722-I891 HydrophobicContact CZ3-CD1 4Å
723L81.6Confident77.3Confident1 Ų175.3 Ų75.31%0.00539%0.385CS..Hα-helixtrans-66.1-41.4174.1-71.5164.8000111.4I712 I713 L718 S719 Q720 E721 I726 G727 L728I712-L723 HydrophobicContact CG2-CD2 4.17Å; I713-L723 HydrophobicContact CG1-CD1 3.82Å; L718-L723 HydrophobicContact CB-CD1 4.43Å; L718-L723 HydrophobicContact CB-CD2 4.33Å; L718-L723 HydrophobicContact CB-CG 4.1Å; L718-L723 HydrophobicContact CD1-CD2 4.22Å; S719-L723 PolarHBondContact O-N 3Å; S719-L723 VanDerWaalsContact O-N 3.13Å; Q720-L723 PolarHBondContact O-N 3.21Å; E721-L723 VanDerWaalsContact C-N 3.34Å; E721-L723 PolarHBondContact O-N 3.19Å; L723-I726 PolarHBondContact O-N 2.72Å; L723-G727 PolarHBondContact O-N 2.9Å; L723-L728 HydrophobicContact CD2-CB 4.41Å; L723-L728 HydrophobicContact CD2-CD1 4.04Å; L723-L728 PolarHBondContact O-N 2.8Å
724N77.1Confident76.4Confident63 Ų6376.2 Ų76.234%0.33739%0.39SS..Hα-helixtrans-62.3-46174-70-5.5000111.6Q720 E721 I726 G727Q720-N724 WeakPolarHBondContact O-CB 3.31Å; Q720-N724 PolarHBondContact O-N 2.62Å; Q720-N724 PolarHBondContact O-OD1 2.76Å; E721-N724 WeakPolarHBondContact O-CB 3.28Å; E721-N724 PolarHBondContact O-N 3.06Å; N724-I726 VanDerWaalsContact C-N 3.33Å; N724-I726 PolarHBondContact O-N 3.18Å; N724-G727 WeakPolarHBondContact O-CA 3.29Å; N724-G727 PolarHBondContact O-N 3.4Å
725A78.4Confident75.2Confident4 Ų470.2 Ų70.23%0.03339%0.388CS..Hα-helixtrans-65.8-32.8178.200000113.3N654 F655 E721 I891N654-A725 WeakPolarHBondContact CA-O 3.49Å; F655-A725 HydrophobicContact CD2-CB 4.42Å; F655-A725 WeakPolarHBondContact CD2-O 3.3Å; F655-A725 HydrophobicContact CE2-CB 4.29Å; F655-A725 PolarHBondContact N-O 3.37Å; E721-A725 PolarHBondContact O-N 2.91Å; A725-I891 HydrophobicContact CB-CD1 3.67Å; A725-I891 HydrophobicContact CB-CG1 4.17Å
726I82.1Confident73.9Confident60 Ų6071.8 Ų71.831%0.30839%0.392SS..Hα-helixtrans-66.2-30.4167.8-69.8164.7000110.7F655 Y656 L718 W722 L723 N724 L728F655-I726 HydrophobicContact CD2-CG1 4.33Å; Y656-I726 VanDerWaalsContact CD1-O 3.26Å; Y656-I726 WeakPolarHBondContact CD1-O 3.26Å; L718-I726 HydrophobicContact CD1-CD1 4.49Å; W722-I726 WeakPolarHBondContact O-CB 3.33Å; W722-I726 WeakPolarHBondContact O-CD1 3.12Å; W722-I726 WeakPolarHBondContact O-CG1 3.21Å; W722-I726 PolarHBondContact O-N 3.02Å; L723-I726 PolarHBondContact O-N 2.72Å; N724-I726 VanDerWaalsContact C-N 3.33Å; N724-I726 PolarHBondContact O-N 3.18Å; I726-L728 HydrophobicContact CG2-CD1 4.05Å; I726-L728 HydrophobicContact CG2-CG 4.09Å
727G76.9Confident72.9Confident2 Ų275.4 Ų75.42%0.02142%0.42CS..THydrogen-bonded Turntrans95.925.9-179.100000114.1L700 L723 N724L700-G727 WeakPolarHBondContact CD2-O 3.4Å; L723-G727 PolarHBondContact O-N 2.9Å; N724-G727 WeakPolarHBondContact O-CA 3.29Å; N724-G727 PolarHBondContact O-N 3.4Å
728L80.7Confident72.3Confident36 Ų3671.7 Ų71.719%0.18840%0.4CS..  trans-97.190.5173.6-71.5171.6000109.5Y703 L723 I726Y703-L728 HydrophobicContact CD2-CB 4.08Å; Y703-L728 HydrophobicContact CD2-CD2 4.17Å; Y703-L728 HydrophobicContact CE1-CB 4.38Å; Y703-L728 WeakPolarHBondContact CE1-O 3.34Å; Y703-L728 HydrophobicContact CE2-CB 3.93Å; Y703-L728 HydrophobicContact CG-CB 4.38Å; Y703-L728 HydrophobicContact CG-CD2 4.32Å; Y703-L728 PolarHBondContact OH-O 3.36Å; L723-L728 HydrophobicContact CD2-CB 4.41Å; L723-L728 HydrophobicContact CD2-CD1 4.04Å; L723-L728 PolarHBondContact O-N 2.8Å; I726-L728 HydrophobicContact CG2-CD1 4.05Å; I726-L728 HydrophobicContact CG2-CG 4.09Å
729V76Confident72Confident36 Ų3669 Ų6922%0.21839%0.387CS..  trans-117.5142.8-174.4-174.40000110.5Y703 Q704 F731 I734Y703-V729 WeakPolarHBondContact CD1-O 3.26Å; Q704-V729 PolarHBondContact NE2-O 2.87Å; V729-F731 HydrophobicContact CB-CE1 4.06Å; V729-F731 HydrophobicContact CB-CZ 4.22Å; V729-F731 HydrophobicContact CG1-CE1 4.32Å; V729-F731 PolarHBondContact O-N 3.38Å; V729-I734 HydrophobicContact CG1-CD1 3.73Å
730D74.1Confident71.5Confident43 Ų4367.8 Ų67.823%0.2338%0.377CS..  trans-85105.9173.1-172.4-30000109.2Y703 R732 A733Y703-D730 HydrophobicContact CE1-CB 4.41Å; D730-R732 VanDerWaalsContact C-N 3.25Å; D730-R732 PolarHBondContact O-N 3.25Å; D730-R732 WeakPolarHBondContact OD1-CA 3.44Å; D730-R732 VanDerWaalsContact OD1-CB 3.26Å; D730-R732 WeakPolarHBondContact OD1-CB 3.34Å; D730-R732 PolarHBondContact OD1-N 3.17Å; D730-A733 HydrophobicContact CB-CB 4.49Å; D730-A733 PolarHBondContact O-N 2.85Å; D730-A733 PolarHBondContact OD1-N 2.92Å
731F74.4Confident71.2Confident10 Ų1066 Ų664%0.04437%0.367CS..THydrogen-bonded Turntrans-76.1-14.4-177.3-57.7-65.2000112.6V729 A733 I734 A739 L740 Q743V729-F731 HydrophobicContact CB-CE1 4.06Å; V729-F731 HydrophobicContact CB-CZ 4.22Å; V729-F731 HydrophobicContact CG1-CE1 4.32Å; V729-F731 PolarHBondContact O-N 3.38Å; F731-A733 VanDerWaalsContact C-N 3.27Å; F731-A733 PolarHBondContact O-N 3.02Å; F731-I734 HydrophobicContact CD1-CD1 4Å; F731-I734 PolarHBondContact O-N 3.12Å; F731-A739 HydrophobicContact CD1-CB 4.49Å; F731-L740 HydrophobicContact CB-CB 4.35Å; F731-L740 HydrophobicContact CD2-CB 4.44Å; F731-L740 HydrophobicContact CD2-CD1 3.8Å; F731-L740 HydrophobicContact CE2-CD1 4.4Å; F731-Q743 VanDerWaalsContact CE1-CD 3.44Å; F731-Q743 HydrophobicContact CE1-CG 4.4Å; F731-Q743 HydrophobicContact CZ-CB 4.49Å; F731-Q743 HydrophobicContact CZ-CG 4.46Å
732R66Low70.8Confident170 Ų17064.7 Ų64.764%0.64236%0.364SS*.THydrogen-bonded Turntrans-71.1-26.7174.1-158.8174.3-1721685.7111.1E547 D730E547-R732 IonicContact OE1-CZ 3.4Å; E547-R732 IonicContact OE1-NH1 3.17Å; E547-R732 PolarHBondContact OE1-NH1 3.16Å; E547-R732 IonicContact OE1-NH2 3.98Å; E547-R732 PolarHBondContact OE1-NH2 3.05Å; E547-R732 IonicContact OE2-NH2 3.21Å; D730-R732 VanDerWaalsContact C-N 3.25Å; D730-R732 PolarHBondContact O-N 3.25Å; D730-R732 WeakPolarHBondContact OD1-CA 3.44Å; D730-R732 VanDerWaalsContact OD1-CB 3.26Å; D730-R732 WeakPolarHBondContact OD1-CB 3.34Å; D730-R732 PolarHBondContact OD1-N 3.17Å
733A65.3Low70.3Confident87 Ų8762 Ų6272%0.71936%0.357SS*.THydrogen-bonded Turntrans-76.5-20.4175.100000114.2D730 F731 G735D730-A733 HydrophobicContact CB-CB 4.49Å; D730-A733 PolarHBondContact O-N 2.85Å; D730-A733 PolarHBondContact OD1-N 2.92Å; F731-A733 VanDerWaalsContact C-N 3.27Å; F731-A733 PolarHBondContact O-N 3.02Å; A733-G735 VanDerWaalsContact C-N 3.29Å; A733-G735 PolarHBondContact O-N 3.43Å
734I63.1Low70.1Confident92 Ų9262.2 Ų62.247%0.47236%0.358SS..THydrogen-bonded Turntrans-81.6-8.7-178.9-70167.4000112.1V729 F731 E736V729-I734 HydrophobicContact CG1-CD1 3.73Å; F731-I734 HydrophobicContact CD1-CD1 4Å; F731-I734 PolarHBondContact O-N 3.12Å; I734-E736 PolarHBondContact O-N 3.17Å; I734-E736 VanDerWaalsContact O-N 3.11Å
735G56.5Low70.1Confident67 Ų6763.5 Ų63.569%0.69136%0.364SS*.SBendtrans79.5-21.3174.700000115.2A733 S737A733-G735 VanDerWaalsContact C-N 3.29Å; A733-G735 PolarHBondContact O-N 3.43Å; G735-S737 PolarHBondContact O-N 3.23Å
736E57.1Low70Confident133 Ų13364 Ų6462%0.62137%0.368SS*.  trans-82.3102.3176.1-67.6-164.9159.100112.7I734 G738 A739I734-E736 PolarHBondContact O-N 3.17Å; I734-E736 VanDerWaalsContact O-N 3.11Å; E736-G738 PolarHBondContact O-N 2.92Å; E736-A739 HydrophobicContact CB-CB 4.02Å; E736-A739 PolarHBondContact O-N 3.4Å
737S54.7Low69.9Low133 Ų13361.5 Ų61.593%0.9336%0.356SS*.THydrogen-bonded Turntrans-60.4-10.9177.957.40000115.2G735G735-S737 PolarHBondContact O-N 3.23Å
738G63.3Low70.1Confident40 Ų4062.8 Ų62.841%0.41236%0.362SS..THydrogen-bonded Turntrans-96.2-16.6174.400000115.8E736 L740 F741 L742E736-G738 PolarHBondContact O-N 2.92Å; G738-L740 VanDerWaalsContact C-N 3.34Å; G738-L740 PolarHBondContact O-N 3.45Å; G738-F741 PolarHBondContact O-N 2.89Å; G738-F741 VanDerWaalsContact O-N 3.14Å; G738-L742 PolarHBondContact O-N 3.44Å
739A67.3Low70.1Confident12 Ų1263.1 Ų63.110%0.09937%0.37CS..Hα-helixtrans-61-40.6-169.100000113F731 E736 F741 L742 Q743F731-A739 HydrophobicContact CD1-CB 4.49Å; E736-A739 HydrophobicContact CB-CB 4.02Å; E736-A739 PolarHBondContact O-N 3.4Å; A739-F741 VanDerWaalsContact C-N 3.34Å; A739-F741 PolarHBondContact O-N 2.97Å; A739-L742 PolarHBondContact O-N 2.96Å; A739-Q743 PolarHBondContact O-N 3.35Å
740L70.1Confident70.6Confident30 Ų3061.4 Ų61.416%0.15736%0.36CS..Hα-helixtrans-53.5-48.2175.3177.865.3000112.3Q704 F731 G738 L744Q704-L740 HydrophobicContact CG-CD1 3.68Å; Q704-L740 HydrophobicContact CG-CD2 4.43Å; F731-L740 HydrophobicContact CB-CB 4.35Å; F731-L740 HydrophobicContact CD2-CB 4.44Å; F731-L740 HydrophobicContact CD2-CD1 3.8Å; F731-L740 HydrophobicContact CE2-CD1 4.4Å; G738-L740 VanDerWaalsContact C-N 3.34Å; G738-L740 PolarHBondContact O-N 3.45Å; L740-L744 HydrophobicContact CD1-CD1 3.58Å; L740-L744 HydrophobicContact CG-CD1 3.98Å; L740-L744 WeakPolarHBondContact O-CB 3.38Å; L740-L744 PolarHBondContact O-N 3.38Å; L740-L744 VanDerWaalsContact O-N 3.11Å
741F70.3Confident71.1Confident97 Ų9760 Ų6043%0.42535%0.352SS..Hα-helixtrans-65.4-41-179.3177.4-95.8000111.2L479 G738 A739 L745L479-F741 HydrophobicContact CB-CD2 4.41Å; L479-F741 HydrophobicContact CD1-CD2 4.36Å; L479-F741 HydrophobicContact CD1-CE2 4.36Å; G738-F741 PolarHBondContact O-N 2.89Å; G738-F741 VanDerWaalsContact O-N 3.14Å; A739-F741 VanDerWaalsContact C-N 3.34Å; A739-F741 PolarHBondContact O-N 2.97Å; F741-L745 WeakPolarHBondContact O-CB 3.4Å; F741-L745 PolarHBondContact O-N 3.46Å; F741-L745 VanDerWaalsContact O-N 3.09Å
742L69.6Low71.4Confident122 Ų12261.8 Ų61.864%0.63936%0.363SS*.Hα-helixtrans-67.3-42.4-177.3-141.4117.7000111.9G738 A739G738-L742 PolarHBondContact O-N 3.44Å; A739-L742 PolarHBondContact O-N 2.96Å
743Q72.1Confident72.3Confident65 Ų6554.9 Ų54.930%0.30434%0.34SS..Hα-helixtrans-73.3-36178.2-63.8-156.517.900113.1F731 A739 L745 P747F731-Q743 VanDerWaalsContact CE1-CD 3.44Å; F731-Q743 HydrophobicContact CE1-CG 4.4Å; F731-Q743 HydrophobicContact CZ-CB 4.49Å; F731-Q743 HydrophobicContact CZ-CG 4.46Å; A739-Q743 PolarHBondContact O-N 3.35Å; Q743-L745 VanDerWaalsContact C-N 3.31Å; Q743-L745 PolarHBondContact O-N 3.21Å; Q743-P747 WeakPolarHBondContact O-CD 3.35Å
744L76.8Confident73.2Confident4 Ų450.7 Ų50.72%0.02131%0.306CS..Hα-helixtrans-70.1-25.3174.8-86.8157000113.3L479 I697 L700 L740 A746 P747 I748L479-L744 HydrophobicContact CD2-CD1 4.06Å; I697-L744 HydrophobicContact CB-CD2 4.42Å; I697-L744 HydrophobicContact CG2-CD2 4.07Å; L700-L744 HydrophobicContact CB-CD2 4.31Å; L740-L744 HydrophobicContact CD1-CD1 3.58Å; L740-L744 HydrophobicContact CG-CD1 3.98Å; L740-L744 WeakPolarHBondContact O-CB 3.38Å; L740-L744 PolarHBondContact O-N 3.38Å; L740-L744 VanDerWaalsContact O-N 3.11Å; L744-A746 VanDerWaalsContact C-N 3.35Å; L744-A746 PolarHBondContact O-N 2.69Å; L744-P747 WeakPolarHBondContact O-CD 3.45Å; L744-I748 HydrophobicContact CB-CD1 4.24Å; L744-I748 WeakPolarHBondContact O-CB 3.49Å; L744-I748 WeakPolarHBondContact O-CD1 3.46Å; L744-I748 WeakPolarHBondContact O-CG1 3.28Å; L744-I748 PolarHBondContact O-N 2.84Å; L744-I748 VanDerWaalsContact O-N 3.13Å
745L77.6Confident74Confident90 Ų9047.1 Ų47.147%0.47129%0.287SS..Hα-helixtrans-60.2-39.5-177.4-176.962.2000113.2F741 Q743 I748 A749F741-L745 WeakPolarHBondContact O-CB 3.4Å; F741-L745 PolarHBondContact O-N 3.46Å; F741-L745 VanDerWaalsContact O-N 3.09Å; Q743-L745 VanDerWaalsContact C-N 3.31Å; Q743-L745 PolarHBondContact O-N 3.21Å; L745-I748 PolarHBondContact O-N 3.47Å; L745-A749 WeakPolarHBondContact O-CB 3.46Å; L745-A749 PolarHBondContact O-N 3.01Å
746A76.1Confident75.1Confident15 Ų1546.5 Ų46.512%0.12427%0.268CS..Hα-helixtrans-71.1-48.2-17700000113.7V647 F651 L744 I748 A749 L750V647-A746 HydrophobicContact CG2-CB 4.3Å; F651-A746 HydrophobicContact CE2-CB 3.47Å; F651-A746 VanDerWaalsContact CE2-CB 3.47Å; F651-A746 HydrophobicContact CZ-CB 3.42Å; F651-A746 VanDerWaalsContact CZ-CB 3.42Å; L744-A746 VanDerWaalsContact C-N 3.35Å; L744-A746 PolarHBondContact O-N 2.69Å; A746-I748 VanDerWaalsContact C-N 3.3Å; A746-I748 PolarHBondContact O-N 2.92Å; A746-A749 PolarHBondContact O-N 2.89Å; A746-L750 PolarHBondContact O-N 2.97Å
747P79.7Confident76.4Confident7 Ų740.1 Ų40.15%0.04524%0.238CC..Hα-helixtrans-56.2-40.3168.1-28.236.5000113.3V696 I697 Q743 L744 L750 F751V696-P747 HydrophobicContact CG1-CG 4.4Å; I697-P747 HydrophobicContact CD1-CB 4.22Å; I697-P747 HydrophobicContact CG1-CB 3.69Å; Q743-P747 WeakPolarHBondContact O-CD 3.35Å; L744-P747 WeakPolarHBondContact O-CD 3.45Å; P747-L750 PolarHBondContact O-N 3.13Å; P747-F751 WeakPolarHBondContact O-CB 3.33Å; P747-F751 PolarHBondContact O-N 2.96Å
748I80.6Confident77.6Confident29 Ų2935.6 Ų35.615%0.14920%0.203CC..Hα-helixtrans-64.4-42.1176.4-70.2168.6000111.1L479 I697 L744 L745 A746 F751 V752L479-I748 HydrophobicContact CD1-CD1 4.14Å; I697-I748 HydrophobicContact CD1-CG1 3.88Å; I697-I748 HydrophobicContact CG1-CG1 4.22Å; L744-I748 HydrophobicContact CB-CD1 4.24Å; L744-I748 WeakPolarHBondContact O-CB 3.49Å; L744-I748 WeakPolarHBondContact O-CD1 3.46Å; L744-I748 WeakPolarHBondContact O-CG1 3.28Å; L744-I748 PolarHBondContact O-N 2.84Å; L744-I748 VanDerWaalsContact O-N 3.13Å; L745-I748 PolarHBondContact O-N 3.47Å; A746-I748 VanDerWaalsContact C-N 3.3Å; A746-I748 PolarHBondContact O-N 2.92Å; I748-F751 PolarHBondContact O-N 3.33Å; I748-V752 WeakPolarHBondContact O-CG2 3.41Å; I748-V752 PolarHBondContact O-N 3.05Å
749A81.8Confident78.2Confident44 Ų4437.3 Ų37.336%0.36420%0.199SC..Hα-helixtrans-64.3-44.5176.500000111.9L745 A746 V752 V753L745-A749 WeakPolarHBondContact O-CB 3.46Å; L745-A749 PolarHBondContact O-N 3.01Å; A746-A749 PolarHBondContact O-N 2.89Å; A749-V752 PolarHBondContact O-N 3.39Å; A749-V753 WeakPolarHBondContact O-CB 3.41Å; A749-V753 WeakPolarHBondContact O-CG2 3.31Å; A749-V753 PolarHBondContact O-N 3.3Å
750L85.8Confident78.6Confident0 Ų042.9 Ų42.90%022%0.221CC..Hα-helixtrans-62.2-44.3175.9-17759.9000111.3V643 L644 V647 F660 L689 T693 A746 P747 V752 V753 T754V643-L750 HydrophobicContact CG1-CB 4.48Å; V643-L750 HydrophobicContact CG1-CD1 3.98Å; L644-L750 HydrophobicContact CD1-CD2 4.26Å; V647-L750 HydrophobicContact CG1-CD2 4.26Å; V647-L750 HydrophobicContact CG2-CB 4.47Å; F660-L750 HydrophobicContact CD1-CD2 4.17Å; F660-L750 HydrophobicContact CE1-CD2 3.68Å; F660-L750 HydrophobicContact CZ-CD2 4.08Å; L689-L750 HydrophobicContact CD1-CD2 4.42Å; L689-L750 HydrophobicContact CD2-CD1 4.5Å; T693-L750 HydrophobicContact CG2-CB 4.3Å; T693-L750 HydrophobicContact CG2-CD2 3.68Å; T693-L750 HydrophobicContact CG2-CG 3.88Å; A746-L750 PolarHBondContact O-N 2.97Å; P747-L750 PolarHBondContact O-N 3.13Å; L750-V752 PolarHBondContact O-N 3.08Å; L750-V753 PolarHBondContact O-N 3.48Å; L750-T754 HydrophobicContact CD1-CG2 3.98Å; L750-T754 HydrophobicContact CG-CG2 4.4Å; L750-T754 WeakPolarHBondContact O-CG2 3.34Å; L750-T754 PolarHBondContact O-N 3.36Å; L750-T754 PolarHBondContact O-OG1 3.32Å
751F85.2Confident79.1Confident12 Ų1243.1 Ų43.15%0.05322%0.221CC..Hα-helixtrans-56.6-47.4174173.1-99.8000112.2T690 S694 I697 P747 I748 T754 M755T690-F751 HydrophobicContact CG2-CD2 3.72Å; T690-F751 HydrophobicContact CG2-CE2 3.77Å; S694-F751 VanDerWaalsContact OG-CE2 3.25Å; S694-F751 WeakPolarHBondContact OG-CE2 3.08Å; I697-F751 HydrophobicContact CD1-CB 4.22Å; P747-F751 WeakPolarHBondContact O-CB 3.33Å; P747-F751 PolarHBondContact O-N 2.96Å; I748-F751 PolarHBondContact O-N 3.33Å; F751-T754 PolarHBondContact O-OG1 3.4Å; F751-M755 WeakPolarHBondContact O-CB 3.34Å; F751-M755 PolarHBondContact O-N 3.45Å
752V80.2Confident79.7Confident48 Ų4839.8 Ų39.829%0.29121%0.207SC..Hα-helixtrans-64.2-42.7177.7171.40000111.4I748 A749 L750 M755 L756I748-V752 WeakPolarHBondContact O-CG2 3.41Å; I748-V752 PolarHBondContact O-N 3.05Å; A749-V752 PolarHBondContact O-N 3.39Å; L750-V752 PolarHBondContact O-N 3.08Å; V752-M755 PolarHBondContact O-N 2.99Å; V752-L756 HydrophobicContact CG1-CD1 4.09Å; V752-L756 HydrophobicContact CG1-CG 4.47Å; V752-L756 VanDerWaalsContact O-CG 3.28Å; V752-L756 WeakPolarHBondContact O-CG 3.47Å; V752-L756 PolarHBondContact O-N 3.24Å
753V84.7Confident80.1Confident25 Ų2535.9 Ų35.915%0.15220%0.196CC..Hα-helixtrans-68-43.9-178.7169.30000112.1F636 V640 V643 A749 L750 M755 L756 Q757F636-V753 HydrophobicContact CE1-CG1 4.08Å; F636-V753 HydrophobicContact CZ-CG1 4.25Å; V640-V753 HydrophobicContact CB-CG1 4.32Å; V640-V753 HydrophobicContact CG1-CG1 4.26Å; V640-V753 HydrophobicContact CG2-CG1 3.96Å; V643-V753 HydrophobicContact CG2-CG1 4.5Å; A749-V753 WeakPolarHBondContact O-CB 3.41Å; A749-V753 WeakPolarHBondContact O-CG2 3.31Å; A749-V753 PolarHBondContact O-N 3.3Å; L750-V753 PolarHBondContact O-N 3.48Å; V753-M755 VanDerWaalsContact C-N 3.34Å; V753-L756 PolarHBondContact O-N 2.93Å; V753-Q757 PolarHBondContact O-N 3.28Å
754T84.7Confident80.4Confident0 Ų034.1 Ų34.10%019%0.19CC..Hα-helixtrans-67.7-35.8176.260.30000111.8V640 L689 T690 L750 F751 Q757 L758V640-T754 HydrophobicContact CG1-CG2 3.83Å; L689-T754 HydrophobicContact CD2-CG2 3.69Å; L689-T754 HydrophobicContact CG-CG2 4.06Å; T690-T754 VanDerWaalsContact OG1-CB 3.27Å; T690-T754 WeakPolarHBondContact OG1-CB 3.19Å; T690-T754 PolarHBondContact OG1-OG1 3.44Å; L750-T754 HydrophobicContact CD1-CG2 3.98Å; L750-T754 HydrophobicContact CG-CG2 4.4Å; L750-T754 WeakPolarHBondContact O-CG2 3.34Å; L750-T754 PolarHBondContact O-N 3.36Å; L750-T754 PolarHBondContact O-OG1 3.32Å; F751-T754 PolarHBondContact O-OG1 3.4Å; T754-Q757 WeakPolarHBondContact O-CB 3.34Å; T754-Q757 PolarHBondContact O-N 2.76Å; T754-L758 WeakPolarHBondContact O-CG 3.49Å; T754-L758 PolarHBondContact O-N 3.07Å
755M79.4Confident80.7Confident16 Ų1634.6 Ų34.68%0.07919%0.192CC..Hα-helixtrans-64.4-41.5174.8-173.4-75.7-159.600112.1W497 F751 V752 V753 L758 K759W497-M755 HydrophobicContact CB-CE 4.45Å; W497-M755 HydrophobicContact CE3-CE 3.72Å; W497-M755 HydrophobicContact CE3-SD 4.36Å; W497-M755 HydrophobicContact CZ3-CE 4.38Å; W497-M755 WeakPolarHBondContact O-CE 3.33Å; F751-M755 WeakPolarHBondContact O-CB 3.34Å; F751-M755 PolarHBondContact O-N 3.45Å; V752-M755 PolarHBondContact O-N 2.99Å; V753-M755 VanDerWaalsContact C-N 3.34Å; M755-L758 PolarHBondContact O-N 3.31Å; M755-K759 HydrophobicContact CE-CD 3.55Å; M755-K759 HydrophobicContact CE-CG 4.47Å; M755-K759 PolarHBondContact O-N 3.29Å; M755-K759 HydrophobicContact SD-CD 3.79Å; M755-K759 HydrophobicContact SD-CG 4.12Å
756L79.2Confident80.8Confident54 Ų5432.3 Ų32.328%0.28318%0.183SC..Hα-helixtrans-63.6-43.2173.2-72.9172000112.2F636 V752 V753 L758 K759 F760 F761F636-L756 HydrophobicContact CE1-CB 4.33Å; F636-L756 HydrophobicContact CZ-CB 4.13Å; V752-L756 HydrophobicContact CG1-CD1 4.09Å; V752-L756 HydrophobicContact CG1-CG 4.47Å; V752-L756 VanDerWaalsContact O-CG 3.28Å; V752-L756 WeakPolarHBondContact O-CG 3.47Å; V752-L756 PolarHBondContact O-N 3.24Å; V753-L756 PolarHBondContact O-N 2.93Å; L756-L758 VanDerWaalsContact C-N 3.34Å; L756-L758 PolarHBondContact O-N 2.99Å; L756-K759 PolarHBondContact O-N 2.99Å; L756-F760 HydrophobicContact CD2-CD2 3.7Å; L756-F760 HydrophobicContact CD2-CE2 3.71Å; L756-F760 PolarHBondContact O-N 3.15Å; L756-F761 HydrophobicContact CB-CE2 4.4Å
757Q84.6Confident80.7Confident0 Ų040.4 Ų40.40%021%0.21CC..Iπ-helixtrans-57.1-46.4173.5170.668.9-1600111.4F636 V640 W686 V753 T754 F761 H762F636-Q757 HydrophobicContact CD1-CB 3.96Å; F636-Q757 HydrophobicContact CE1-CB 4Å; V640-Q757 HydrophobicContact CG2-CB 3.8Å; V640-Q757 HydrophobicContact CG2-CG 3.98Å; W686-Q757 HydrophobicContact CD2-CG 4.31Å; W686-Q757 HydrophobicContact CG-CG 4.15Å; V753-Q757 PolarHBondContact O-N 3.28Å; T754-Q757 WeakPolarHBondContact O-CB 3.34Å; T754-Q757 PolarHBondContact O-N 2.76Å; Q757-F761 PolarHBondContact O-N 3.06Å; Q757-H762 WeakPolarHBondContact O-CB 3.4Å; Q757-H762 PolarHBondContact O-N 3.39Å
758L81.1Confident80.3Confident38 Ų3843 Ų4320%0.19923%0.232CC..Iπ-helixtrans-65.8-45.5178.3-77.1167.2000113Y683 W686 T690 T754 M755 L756Y683-L758 HydrophobicContact CD2-CD2 4.08Å; Y683-L758 HydrophobicContact CE2-CD2 3.82Å; W686-L758 HydrophobicContact CB-CD1 4.49Å; W686-L758 HydrophobicContact CB-CD2 3.88Å; W686-L758 HydrophobicContact CB-CG 4.05Å; T690-L758 WeakPolarHBondContact OG1-CD1 3.43Å; T754-L758 WeakPolarHBondContact O-CG 3.49Å; T754-L758 PolarHBondContact O-N 3.07Å; M755-L758 PolarHBondContact O-N 3.31Å; L756-L758 VanDerWaalsContact C-N 3.34Å; L756-L758 PolarHBondContact O-N 2.99Å
759K75.5Confident79.9Confident75 Ų7543.1 Ų43.133%0.32624%0.235SC..Iπ-helixtrans-80.7-33.1-174.4-71.9-162.9-177.6178.30114.7W497 I498 F499 M755 L756W497-K759 PolarHBondContact O-NZ 3.17Å; I498-K759 PolarHBondContact O-NZ 2.66Å; I498-K759 VanDerWaalsContact O-NZ 3.12Å; F499-K759 PolarHBondContact O-NZ 2.89Å; M755-K759 HydrophobicContact CE-CD 3.55Å; M755-K759 HydrophobicContact CE-CG 4.47Å; M755-K759 PolarHBondContact O-N 3.29Å; M755-K759 HydrophobicContact SD-CD 3.79Å; M755-K759 HydrophobicContact SD-CG 4.12Å; L756-K759 PolarHBondContact O-N 2.99Å
760F75.2Confident79.2Confident129 Ų12943.1 Ų43.157%0.56623%0.232SC*.Iπ-helixtrans-117.4-34.4-171-61.9-65.1000115.2L756L756-F760 HydrophobicContact CD2-CD2 3.7Å; L756-F760 HydrophobicContact CD2-CE2 3.71Å; L756-F760 PolarHBondContact O-N 3.15Å
761F81.3Confident78Confident35 Ų3547.4 Ų47.415%0.15426%0.259CS..Iπ-helixtrans-113.7-23.6-161.3-54.7-49.7000115.7V632 F636 L756 Q757 G763 P764 W765V632-F761 HydrophobicContact CG1-CE1 4.2Å; V632-F761 HydrophobicContact CG1-CZ 4.17Å; F636-F761 HydrophobicContact CB-CB 4.08Å; F636-F761 HydrophobicContact CB-CD2 3.83Å; F636-F761 HydrophobicContact CB-CE2 4.49Å; F636-F761 HydrophobicContact CB-CG 4.03Å; F636-F761 AromaticContact CD1-CD2 3.5Å; F636-F761 HydrophobicContact CD1-CD2 3.5Å; F636-F761 VanDerWaalsContact CD1-CD2 3.5Å; F636-F761 HydrophobicContact CD1-CE2 4.1Å; F636-F761 HydrophobicContact CD1-CG 4.38Å; F636-F761 AromaticContact CD2-CD2 3.6Å; F636-F761 HydrophobicContact CD2-CD2 3.6Å; F636-F761 AromaticContact CD2-CE2 3.46Å; F636-F761 HydrophobicContact CD2-CE2 3.46Å; F636-F761 VanDerWaalsContact CD2-CE2 3.46Å; F636-F761 HydrophobicContact CD2-CG 4.49Å; F636-F761 HydrophobicContact CD2-CZ 4.26Å; F636-F761 AromaticContact CE1-CD2 3.87Å; F636-F761 HydrophobicContact CE1-CD2 3.87Å; F636-F761 HydrophobicContact CE1-CE2 4.15Å; F636-F761 AromaticContact CE2-CD2 3.97Å; F636-F761 HydrophobicContact CE2-CD2 3.97Å; F636-F761 AromaticContact CE2-CE2 3.53Å; F636-F761 HydrophobicContact CE2-CE2 3.53Å; F636-F761 HydrophobicContact CE2-CZ 4.45Å; F636-F761 HydrophobicContact CG-CB 4.43Å; F636-F761 AromaticContact CG-CD2 3.34Å; F636-F761 HydrophobicContact CG-CD2 3.34Å; F636-F761 AromaticContact CG-CE2 3.76Å; F636-F761 HydrophobicContact CG-CE2 3.76Å; F636-F761 HydrophobicContact CG-CG 4.06Å; F636-F761 HydrophobicContact CZ-CD2 4.09Å; F636-F761 AromaticContact CZ-CE2 3.88Å; F636-F761 HydrophobicContact CZ-CE2 3.88Å; L756-F761 HydrophobicContact CB-CE2 4.4Å; Q757-F761 PolarHBondContact O-N 3.06Å; F761-G763 PolarHBondContact O-N 3.42Å; F761-P764 WeakPolarHBondContact O-CD 3.15Å; F761-W765 PolarHBondContact O-N 2.97Å; F761-W765 VanDerWaalsContact O-N 3.15Å
762H83.1Confident76.5Confident28 Ų2858.4 Ų58.413%0.1330%0.301CS..Hα-helixtrans-59.7-42.6178.3-176.582000113.5Y683 Q757 W765 S766Y683-H762 AromaticContact CD2-CD2 3.79Å; Y683-H762 AromaticContact CD2-NE2 3.78Å; Q757-H762 WeakPolarHBondContact O-CB 3.4Å; Q757-H762 PolarHBondContact O-N 3.39Å; H762-W765 PolarHBondContact O-N 3.46Å; H762-S766 WeakPolarHBondContact O-CB 3.33Å; H762-S766 PolarHBondContact O-N 3.32Å
763G76.9Confident74.9Confident39 Ų3967.5 Ų67.540%0.40233%0.33SS..Hα-helixtrans-65.1-41.5-178.300000114.8F761 R767F761-G763 PolarHBondContact O-N 3.42Å; G763-R767 PolarHBondContact O-NE 3.3Å
764P79.2Confident72.7Confident28 Ų2871.1 Ų71.118%0.18236%0.362CS..Hα-helixtrans-61.1-50.5165.8-29.336.5000114.1S633 F761 S766 R767 A768S633-P764 WeakPolarHBondContact OG-CB 3.31Å; F761-P764 WeakPolarHBondContact O-CD 3.15Å; P764-S766 PolarHBondContact O-N 2.85Å; P764-R767 PolarHBondContact O-N 3.15Å; P764-R767 VanDerWaalsContact O-N 3.15Å; P764-A768 PolarHBondContact O-N 3.05Å
765W83Confident70.5Confident15 Ų1579.6 Ų79.66%0.05740%0.402CS..Hα-helixtrans-59-42.3-177.3174.786.1000113.4I637 Y678 R679 A682 F761 H762 R767 A768 T769I637-W765 HydrophobicContact CD1-CD2 4.22Å; I637-W765 HydrophobicContact CD1-CH2 4.19Å; I637-W765 HydrophobicContact CD1-CZ2 3.59Å; Y678-W765 HydrophobicContact CE1-CH2 4.23Å; Y678-W765 HydrophobicContact CE1-CZ2 4.03Å; R679-W765 HydrophobicContact CG-CH2 4.11Å; R679-W765 HydrophobicContact CG-CZ3 4.24Å; A682-W765 HydrophobicContact CB-CH2 4.04Å; A682-W765 HydrophobicContact CB-CZ3 3.9Å; F761-W765 PolarHBondContact O-N 2.97Å; F761-W765 VanDerWaalsContact O-N 3.15Å; H762-W765 PolarHBondContact O-N 3.46Å; W765-R767 VanDerWaalsContact C-N 3.28Å; W765-R767 PolarHBondContact O-N 2.96Å; W765-A768 PolarHBondContact O-N 3.32Å; W765-A768 VanDerWaalsContact O-N 3.16Å; W765-T769 HydrophobicContact CZ2-CG2 4.33Å; W765-T769 PolarHBondContact O-N 3.4Å; W765-T769 PolarHBondContact O-OG1 3.27Å
766S78.9Confident68.3Low41 Ų4185.4 Ų85.429%0.28743%0.433SS..Hα-helixtrans-63.3-33178.7-174.40000112.9H762 P764 T769 S770H762-S766 WeakPolarHBondContact O-CB 3.33Å; H762-S766 PolarHBondContact O-N 3.32Å; P764-S766 PolarHBondContact O-N 2.85Å; S766-T769 PolarHBondContact O-OG1 3.44Å; S766-S770 PolarHBondContact O-N 2.84Å
767R75.2Confident66.1Low185 Ų18590.3 Ų90.370%0.69846%0.46SS*.Hα-helixtrans-79.4-24.6174.9-70.5-178.3-67.7157.80.9113.7G763 P764 W765 S770G763-R767 PolarHBondContact O-NE 3.3Å; P764-R767 PolarHBondContact O-N 3.15Å; 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 2.96Å
768A70.7Confident63.6Low61 Ų6194.7 Ų94.750%0.50449%0.488SS..Hα-helixtrans-80-18.6175.800000113.3V634 P764 W765V634-A768 HydrophobicContact CG2-CB 3.9Å; P764-A768 PolarHBondContact O-N 3.05Å; W765-A768 PolarHBondContact O-N 3.32Å; W765-A768 VanDerWaalsContact O-N 3.16Å
769T72.2Confident61.3Low33 Ų3399.1 Ų99.120%0.20252%0.519CS..SBendtrans-110.73.2-175.654.20000114.1F675 R679 W765 S766F675-T769 HydrophobicContact CZ-CG2 4.25Å; R679-T769 WeakPolarHBondContact CD-OG1 3.37Å; W765-T769 HydrophobicContact CZ2-CG2 4.33Å; W765-T769 PolarHBondContact O-N 3.4Å; W765-T769 PolarHBondContact O-OG1 3.27Å; S766-T769 PolarHBondContact O-OG1 3.44Å
770S68.3Low59.2Low43 Ų43100.8 Ų100.830%0.30154%0.536SS..SBendtrans-80133.1173.655.90000111.4S766 R767 R772S766-S770 PolarHBondContact O-N 2.84Å; R767-S770 PolarHBondContact O-OG 2.96Å; S770-R772 PolarHBondContact O-N 3.3Å; S770-R772 VanDerWaalsContact O-N 3.1Å
771P59Low57.4Low90 Ų9099.6 Ų99.658%0.58454%0.544SS*.  trans-68110.4165.528.3-31.6000108.1R773P771-R773 PolarHBondContact O-N 3Å
772R54.9Low55Low244 Ų244103.4 Ų103.492%0.92157%0.57SS**  trans-60.4107.4172.5-85.4-179.5161.7175.9-8.9109.3S770S770-R772 PolarHBondContact O-N 3.3Å; S770-R772 VanDerWaalsContact O-N 3.1Å
773R47Very low52.4Low239 Ų239108 Ų10890%0.90260%0.6SS**  trans-67.4156.7154.8-77.5-178.6170.4152.6-4.9108.6P771 E775P771-R773 PolarHBondContact O-N 3Å; R773-E775 PolarHBondContact O-N 3.39Å
774A37.3Very low50.1Low101 Ų101114.7 Ų114.784%0.83562%0.621SS**  trans-70.1110.8-176.200000111.1
775E39.1Very low47.8Very low178 Ų178118.4 Ų118.483%0.83265%0.654SS**  trans-150.695169.2-157.5160.2-144.900104.4R773R773-E775 PolarHBondContact O-N 3.39Å
776N32.7Very low45.1Very low138 Ų138122.9 Ų122.974%0.73869%0.694SS**  65.168.479.5-66.2-7.5000112.4
777D32.9Very low42.8Very low157 Ų157125.3 Ų125.384%0.8472%0.717SS**  trans-165.793144.6-105-19.2000109.5
778P31.9Very low40.6Very low92 Ų92123.2 Ų123.260%0.59772%0.724SS**  trans-72.7146.6162.429.6-27.8000109.3T780P778-T780 VanDerWaalsContact C-N 3.3Å; P778-T780 PolarHBondContact O-N 2.79Å; P778-T780 PolarHBondContact O-OG1 2.99Å
779P32.6Very low38.6Very low131 Ų131124.2 Ų124.285%0.85173%0.733SS**  trans-65.193.3171.427.8-33.3000109S781P779-S781 PolarHBondContact O-N 3.35Å
780T32.6Very low36.6Very low110 Ų110128.3 Ų128.368%0.67576%0.762SS**  trans-84.584.4-164.5-59.10000110.7P778P778-T780 VanDerWaalsContact C-N 3.3Å; P778-T780 PolarHBondContact O-N 2.79Å; P778-T780 PolarHBondContact O-OG1 2.99Å
781S36.4Very low34.9Very low104 Ų104132.1 Ų132.173%0.72778%0.784SS**  trans-123.882.2155.562.60000109.1P779P779-S781 PolarHBondContact O-N 3.35Å
782T31.5Very low33.4Very low114 Ų114133.1 Ų133.170%0.69979%0.793SS**  3.3131.2129.955.40000115
783T29.2Very low32.1Very low125 Ų125124.5 Ų124.577%0.76778%0.78SS**  cis-149.8176.427.8-45.60000111.1
784E28.5Very low31.3Very low179 Ų179120 Ų12084%0.83678%0.78SS**  trans86.1163.5166-54.8-178.8-17800118.6
785A29.3Very low30.9Very low107 Ų107124.8 Ų124.888%0.88479%0.785SS**  trans64.149.7173.100000119
786A27.9Very low30.4Very low109 Ų109119.9 Ų119.990%0.90178%0.782SS**  trans-119.441.5163.800000113
787A28.8Very low30.4Very low91 Ų91125.7 Ų125.775%0.75279%0.794SS**  trans-151.528.4-173.300000116.3
788V30.6Very low30.3Very low141 Ų141121.9 Ų121.986%0.85578%0.784SS**  trans-132.298.4166.3-176.50000107.1
789A27.8Very low30.4Very low83 Ų83126.6 Ų126.669%0.68680%0.798SS**  77.3135.65100000113.4T791A789-T791 PolarHBondContact O-N 3.14Å
790S31.2Very low30.6Very low118 Ų118125 Ų12583%0.82580%0.796SS**SBendtrans-89.792.3-17151.50000112.6
791T31.5Very low30.8Very low123 Ų123124.6 Ų124.676%0.75580%0.804SS**  trans-156.4156.4168.25.40000113.5A789A789-T791 PolarHBondContact O-N 3.14Å
792S27.9Very low30.9Very low111 Ų111122.8 Ų122.878%0.77680%0.801SS**  trans3.1128.415654.60000117.8
793G27.9Very low31.6Very low63 Ų63121 Ų12165%0.64979%0.787SS**  113.3126.757.600000110.7
794T29.8Very low32.8Very low146 Ų146119.1 Ų119.190%0.89678%0.776SS**  trans65.9151.3167.831.80000120.4
795Q28.1Very low33.6Very low200 Ų200117 Ų11794%0.93577%0.77SS**  trans67.2161.2-179.2-56.7-175.6-4.700115.7
796G29.8Very low34.7Very low76 Ų76117.3 Ų117.378%0.78476%0.76SS**  trans107.821.1-174.500000117.4A798G796-A798 VanDerWaalsContact C-N 3.33Å; G796-A798 PolarHBondContact O-N 2.94Å; G796-A798 VanDerWaalsContact O-N 3.1Å
797R31.3Very low36.3Very low259 Ų259117.8 Ų117.898%0.97774%0.742SS**THydrogen-bonded Turntrans-8548.6-173.7-164.1179.7175.8156.5-3.7114.1
798A32.2Very low37.9Very low77 Ų77120.2 Ų120.264%0.63674%0.736SS**THydrogen-bonded Turntrans-128.7-24.1-168.800000117.8G796G796-A798 VanDerWaalsContact C-N 3.33Å; G796-A798 PolarHBondContact O-N 2.94Å; G796-A798 VanDerWaalsContact O-N 3.1Å
799H33.8Very low39.6Very low191 Ų191118.8 Ų118.888%0.88472%0.723SS**SBendtrans-11822.8-168.9-70.6-31.8000116.1
800A35.5Very low41.5Very low99 Ų99119.8 Ų119.882%0.81871%0.713SS**  trans-89.5-4.2-176.800000115.6
801A37.9Very low43.6Very low101 Ų101120.9 Ų120.984%0.83570%0.703SS**SBendtrans-84.8-30.4-167.600000115.4D803A801-D803 VanDerWaalsContact C-N 3.28Å; A801-D803 PolarHBondContact O-N 3.49Å; A801-D803 VanDerWaalsContact O-N 3.11Å
802G37.9Very low45.4Very low66 Ų66120.1 Ų120.168%0.6869%0.693SS**  trans-77.27.5-167.400000117.4T804G802-T804 PolarHBondContact O-N 3.29Å
803D45.7Very low47.4Very low75 Ų75116.3 Ų116.340%0.40167%0.669SS.*  trans-8280-171.5-121.638.1000112.2A801 K807A801-D803 VanDerWaalsContact C-N 3.28Å; A801-D803 PolarHBondContact O-N 3.49Å; A801-D803 VanDerWaalsContact O-N 3.11Å; D803-K807 VanDerWaalsContact CG-CD 3.44Å; D803-K807 WeakPolarHBondContact OD1-CD 3.37Å; D803-K807 WeakPolarHBondContact OD1-CE 3.45Å; D803-K807 IonicContact OD1-NZ 3.19Å; D803-K807 PolarHBondContact OD1-NZ 3.25Å
804T55.6Low49.7Very low87 Ų87117.1 Ų117.153%0.53466%0.658SS.*  trans-41.2144.7-178.559.30000113.7G802 V806 K807G802-T804 PolarHBondContact O-N 3.29Å; T804-V806 PolarHBondContact O-N 2.99Å; T804-K807 WeakPolarHBondContact O-CB 3.5Å; T804-K807 PolarHBondContact O-N 2.95Å
805L44.2Very low51.9Low135 Ų135116.1 Ų116.171%0.70764%0.643SS**Hα-helixtrans-49.7-34.7-174.5-168.8151.7000113.4K807 K808 L809L805-K807 PolarHBondContact O-N 3.49Å; L805-K808 PolarHBondContact O-N 2.99Å; L805-L809 HydrophobicContact CD2-CB 4.41Å; L805-L809 HydrophobicContact CD2-CD1 3.85Å; L805-L809 WeakPolarHBondContact O-CB 3.44Å; L805-L809 PolarHBondContact O-N 3.43Å
806V52.2Low54.2Low112 Ų112109.9 Ų109.968%0.67962%0.619SS**Hα-helixtrans-59.3-40.2175.1-176.60000112.8T804 L809 H810T804-V806 PolarHBondContact O-N 2.99Å; V806-L809 PolarHBondContact O-N 3.08Å; V806-H810 WeakPolarHBondContact O-CB 3.48Å; V806-H810 PolarHBondContact O-N 2.9Å
807K61.7Low56.6Low120 Ų120109.8 Ų109.852%0.52260%0.6SS.*Hα-helixtrans-64.4-45.5174.5-84.2-174.8177.2-175.80111.5D803 T804 L805 H810 K811D803-K807 VanDerWaalsContact CG-CD 3.44Å; D803-K807 WeakPolarHBondContact OD1-CD 3.37Å; D803-K807 WeakPolarHBondContact OD1-CE 3.45Å; D803-K807 IonicContact OD1-NZ 3.19Å; D803-K807 PolarHBondContact OD1-NZ 3.25Å; T804-K807 WeakPolarHBondContact O-CB 3.5Å; T804-K807 PolarHBondContact O-N 2.95Å; L805-K807 PolarHBondContact O-N 3.49Å; K807-H810 PolarHBondContact O-N 3.19Å; K807-K811 WeakPolarHBondContact O-CB 3.43Å; K807-K811 PolarHBondContact O-N 2.81Å
808K63.4Low59Low142 Ų14299 Ų9962%0.61756%0.561SS**Hα-helixtrans-62-45.1177.1-74.8179.2179.8170.20111L805 K811 L812L805-K808 PolarHBondContact O-N 2.99Å; K808-K811 PolarHBondContact O-N 3.42Å; K808-L812 VanDerWaalsContact O-CB 3.29Å; K808-L812 WeakPolarHBondContact O-CB 3.42Å; K808-L812 PolarHBondContact O-N 3.01Å
809L65.5Low61.2Low111 Ų11198.4 Ų98.458%0.58155%0.546SS*.Hα-helixtrans-68-37.3179.3-151.9156.5000111.5L805 V806 A813L805-L809 HydrophobicContact CD2-CB 4.41Å; L805-L809 HydrophobicContact CD2-CD1 3.85Å; L805-L809 WeakPolarHBondContact O-CB 3.44Å; L805-L809 PolarHBondContact O-N 3.43Å; V806-L809 PolarHBondContact O-N 3.08Å; L809-A813 WeakPolarHBondContact O-CB 3.4Å; L809-A813 PolarHBondContact O-N 3.1Å
810H68.3Low63.6Low104 Ų10493.7 Ų93.748%0.48153%0.527SS..Hα-helixtrans-68.6-37.7172.5-176.1-89.1000112.9V806 K807 N814V806-H810 WeakPolarHBondContact O-CB 3.48Å; V806-H810 PolarHBondContact O-N 2.9Å; K807-H810 PolarHBondContact O-N 3.19Å; H810-N814 PolarHBondContact CE1-ND2 3.26Å; H810-N814 WeakPolarHBondContact O-CB 3.5Å; H810-N814 PolarHBondContact O-N 3.23Å
811K74.8Confident66Low140 Ų14091.1 Ų91.161%0.60950%0.496SS*.Hα-helixtrans-66.5-43.2174.1-172.3174.1-177.2175.90111.2K807 K808 N814 Q815K807-K811 WeakPolarHBondContact O-CB 3.43Å; K807-K811 PolarHBondContact O-N 2.81Å; K808-K811 PolarHBondContact O-N 3.42Å; K811-N814 PolarHBondContact O-N 2.79Å; K811-Q815 WeakPolarHBondContact O-CB 3.16Å; K811-Q815 WeakPolarHBondContact O-CG 3.25Å; K811-Q815 PolarHBondContact O-N 2.99Å
812L70.2Confident68Low107 Ų10790.2 Ų90.256%0.5647%0.471SS*.Hα-helixtrans-68-39.8176.3-164157.2000111.2K808 Q815 T816K808-L812 VanDerWaalsContact O-CB 3.29Å; K808-L812 WeakPolarHBondContact O-CB 3.42Å; K808-L812 PolarHBondContact O-N 3.01Å; L812-Q815 PolarHBondContact O-N 3.24Å; L812-T816 HydrophobicContact CD2-CG2 3.89Å; L812-T816 WeakPolarHBondContact O-CB 3.4Å; L812-T816 WeakPolarHBondContact O-CG2 3.29Å; L812-T816 PolarHBondContact O-N 3.13Å; L812-T816 PolarHBondContact O-OG1 3.11Å
813A69.6Low70.3Confident31 Ų3191.5 Ų91.526%0.25646%0.458SS..Hα-helixtrans-60.1-48.3171.500000111.3L809 Q815 T816 I817L809-A813 WeakPolarHBondContact O-CB 3.4Å; L809-A813 PolarHBondContact O-N 3.1Å; A813-Q815 PolarHBondContact O-N 2.88Å; A813-T816 WeakPolarHBondContact CA-OG1 3.41Å; A813-T816 PolarHBondContact O-N 3.3Å; A813-T816 PolarHBondContact O-OG1 3.01Å; A813-T816 VanDerWaalsContact O-OG1 3.07Å; A813-I817 VanDerWaalsContact O-CB 3.24Å; A813-I817 WeakPolarHBondContact O-CB 3.31Å; A813-I817 WeakPolarHBondContact O-CD1 3.31Å; A813-I817 WeakPolarHBondContact O-CG1 3.49Å; A813-I817 PolarHBondContact O-N 3.16Å
814N75.6Confident72.2Confident80 Ų8090.4 Ų90.443%0.42845%0.45SS..Hα-helixtrans-62.8-40.4176.5-75.4-2.4000112.3H810 K811 E818H810-N814 PolarHBondContact CE1-ND2 3.26Å; H810-N814 WeakPolarHBondContact O-CB 3.5Å; H810-N814 PolarHBondContact O-N 3.23Å; K811-N814 PolarHBondContact O-N 2.79Å; N814-E818 WeakPolarHBondContact O-CG 3.44Å; N814-E818 PolarHBondContact O-N 3.45Å
815Q77.5Confident73.5Confident125 Ų12587.3 Ų87.358%0.58443%0.43SS*.Hα-helixtrans-66.8-39.8176.6-75.4178.4-41.200112.9K811 L812 A813 L819K811-Q815 WeakPolarHBondContact O-CB 3.16Å; K811-Q815 WeakPolarHBondContact O-CG 3.25Å; K811-Q815 PolarHBondContact O-N 2.99Å; L812-Q815 PolarHBondContact O-N 3.24Å; A813-Q815 PolarHBondContact O-N 2.88Å; Q815-L819 WeakPolarHBondContact O-CB 3.32Å; Q815-L819 PolarHBondContact O-N 2.96Å
816T76Confident75.2Confident70 Ų7082.9 Ų82.943%0.42941%0.408SS..Hα-helixtrans-73.3-35176.447.20000112.2L812 A813 L819 L820L812-T816 HydrophobicContact CD2-CG2 3.89Å; L812-T816 WeakPolarHBondContact O-CB 3.4Å; L812-T816 WeakPolarHBondContact O-CG2 3.29Å; L812-T816 PolarHBondContact O-N 3.13Å; L812-T816 PolarHBondContact O-OG1 3.11Å; A813-T816 WeakPolarHBondContact CA-OG1 3.41Å; A813-T816 PolarHBondContact O-N 3.3Å; A813-T816 PolarHBondContact O-OG1 3.01Å; A813-T816 VanDerWaalsContact O-OG1 3.07Å; T816-L819 PolarHBondContact O-N 3.27Å; T816-L820 WeakPolarHBondContact O-CB 3.29Å; T816-L820 PolarHBondContact O-N 3.21Å
817I79.4Confident76.8Confident73 Ų7380.5 Ų80.537%0.37439%0.389SS..Hα-helixtrans-61.6-50171-72.8165.6000110.1A813 L819 L820 W821A813-I817 VanDerWaalsContact O-CB 3.24Å; A813-I817 WeakPolarHBondContact O-CB 3.31Å; A813-I817 WeakPolarHBondContact O-CD1 3.31Å; A813-I817 WeakPolarHBondContact O-CG1 3.49Å; A813-I817 PolarHBondContact O-N 3.16Å; I817-L819 VanDerWaalsContact C-N 3.35Å; I817-L819 PolarHBondContact O-N 2.94Å; I817-L820 PolarHBondContact O-N 3.25Å; I817-W821 PolarHBondContact O-N 2.99Å
818E81.1Confident77.9Confident34 Ų3475.3 Ų75.316%0.15937%0.367CS..Hα-helixtrans-65.6-35.6177-66.8-52.6153.300113N814 L820 W821 R822 R952 Q953N814-E818 WeakPolarHBondContact O-CG 3.44Å; N814-E818 PolarHBondContact O-N 3.45Å; E818-L820 VanDerWaalsContact C-N 3.33Å; E818-W821 PolarHBondContact O-N 3.18Å; E818-R822 WeakPolarHBondContact O-CG 3.4Å; E818-R822 PolarHBondContact O-N 3.48Å; E818-R952 IonicContact OE1-CZ 2.73Å; E818-R952 IonicContact OE1-NH1 3.42Å; E818-R952 PolarHBondContact OE1-NH1 3.01Å; E818-R952 IonicContact OE1-NH2 3.74Å; E818-R952 PolarHBondContact OE1-NH2 3.16Å; E818-R952 IonicContact OE2-CZ 2.76Å; E818-R952 IonicContact OE2-NH1 2.81Å; E818-R952 PolarHBondContact OE2-NH1 3.36Å; E818-R952 IonicContact OE2-NH2 3.71Å; E818-Q953 PolarHBondContact OE2-NE2 3.44Å
819L79.9Confident78.8Confident63 Ų6370 Ų7033%0.3335%0.348SS..Hα-helixtrans-62-41.7172.6-177.163.8000111.6Q815 T816 I817 R822 F823 V970 F971Q815-L819 WeakPolarHBondContact O-CB 3.32Å; Q815-L819 PolarHBondContact O-N 2.96Å; T816-L819 PolarHBondContact O-N 3.27Å; I817-L819 VanDerWaalsContact C-N 3.35Å; I817-L819 PolarHBondContact O-N 2.94Å; L819-R822 PolarHBondContact O-N 2.83Å; L819-F823 WeakPolarHBondContact O-CB 3.44Å; L819-F823 PolarHBondContact O-N 3.41Å; L819-V970 HydrophobicContact CD1-CG1 3.6Å; L819-F971 HydrophobicContact CD1-CD1 4.27Å; L819-F971 HydrophobicContact CD1-CE1 3.56Å; L819-F971 HydrophobicContact CD1-CZ 3.88Å; L819-F971 HydrophobicContact CD2-CE1 4.24Å; L819-F971 HydrophobicContact CD2-CZ 4.35Å
820L82.8Confident79.8Confident92 Ų9268.5 Ų68.548%0.48234%0.337SS..Hα-helixtrans-68.2-37.9177.5178.4133.1000112T816 I817 E818 F823 F824T816-L820 WeakPolarHBondContact O-CB 3.29Å; T816-L820 PolarHBondContact O-N 3.21Å; I817-L820 PolarHBondContact O-N 3.25Å; E818-L820 VanDerWaalsContact C-N 3.33Å; L820-F823 PolarHBondContact O-N 3.25Å; L820-F824 HydrophobicContact CD2-CD2 3.93Å; L820-F824 HydrophobicContact CD2-CE2 3.62Å; L820-F824 HydrophobicContact CG-CD2 4.23Å; L820-F824 HydrophobicContact CG-CE2 3.99Å; L820-F824 WeakPolarHBondContact O-CD2 3.29Å; L820-F824 PolarHBondContact O-N 3.16Å
821W86Confident80.7Confident45 Ų4566.3 Ų66.317%0.1733%0.328CS..Hα-helixtrans-69.1-33170.7-69.4108.4000113.1I817 E818 E825 F945 V949 R952 Q953I817-W821 PolarHBondContact O-N 2.99Å; E818-W821 PolarHBondContact O-N 3.18Å; W821-E825 PolarHBondContact O-N 2.95Å; W821-F945 HydrophobicContact CH2-CE2 4.26Å; W821-F945 HydrophobicContact CH2-CZ 4.46Å; W821-F945 HydrophobicContact CZ3-CE2 4.31Å; W821-F945 HydrophobicContact CZ3-CZ 4.21Å; W821-V949 HydrophobicContact CE3-CB 4.48Å; W821-V949 HydrophobicContact CE3-CG1 4.41Å; W821-V949 HydrophobicContact CE3-CG2 4.12Å; W821-V949 HydrophobicContact CZ3-CB 4.35Å; W821-V949 HydrophobicContact CZ3-CG2 3.78Å; W821-R952 VanDerWaalsContact CD2-CD 3.42Å; W821-Q953 VanDerWaalsContact CB-NE2 3.27Å
822R81.5Confident81.4Confident83 Ų8359.7 Ų59.731%0.31330%0.299SS..Hα-helixtrans-66.8-43.3171.4-74.7177.9-177-168.80.9111.6E818 L819 E825 V826E818-R822 WeakPolarHBondContact O-CG 3.4Å; E818-R822 PolarHBondContact O-N 3.48Å; L819-R822 PolarHBondContact O-N 2.83Å; R822-E825 WeakPolarHBondContact O-CB 3.16Å; R822-E825 PolarHBondContact O-N 3.49Å; R822-E825 VanDerWaalsContact O-N 3.16Å; R822-V826 PolarHBondContact O-N 2.93Å; R822-V826 VanDerWaalsContact O-N 3.14Å
823F85.2Confident82.3Confident93 Ų9355.4 Ų55.441%0.40828%0.276SS..Hα-helixtrans-59.3-47.3174177.6-97.2000111.2L819 L820 E825 V826 H827L819-F823 WeakPolarHBondContact O-CB 3.44Å; L819-F823 PolarHBondContact O-N 3.41Å; L820-F823 PolarHBondContact O-N 3.25Å; F823-E825 VanDerWaalsContact C-N 3.34Å; F823-E825 PolarHBondContact O-N 2.93Å; F823-V826 PolarHBondContact O-N 3.3Å; F823-H827 AromaticContact CD2-CD2 3.65Å; F823-H827 AromaticContact CE2-CD2 3.48Å; F823-H827 VanDerWaalsContact CE2-CD2 3.48Å; F823-H827 WeakPolarHBondContact CE2-CD2 3.48Å; F823-H827 AromaticContact CE2-NE2 3.66Å; F823-H827 HydrophobicContact CZ-CB 4.49Å; F823-H827 AromaticContact CZ-CD2 3.97Å; F823-H827 PolarHBondContact O-CD2 3.02Å; F823-H827 PolarHBondContact O-N 3.23Å
824F85Confident83.2Confident52 Ų5255.5 Ų55.523%0.22827%0.273CS..Hα-helixtrans-60.6-40.2172.6-77.2-47.3000112.4L820 V826 H827 I828 I831 F945 V949L820-F824 HydrophobicContact CD2-CD2 3.93Å; L820-F824 HydrophobicContact CD2-CE2 3.62Å; L820-F824 HydrophobicContact CG-CD2 4.23Å; L820-F824 HydrophobicContact CG-CE2 3.99Å; L820-F824 WeakPolarHBondContact O-CD2 3.29Å; L820-F824 PolarHBondContact O-N 3.16Å; F824-V826 VanDerWaalsContact C-N 3.27Å; F824-V826 PolarHBondContact O-N 3.11Å; F824-H827 PolarHBondContact O-N 3.16Å; F824-I828 WeakPolarHBondContact O-CA 3.38Å; F824-I828 WeakPolarHBondContact O-CB 3.35Å; F824-I828 WeakPolarHBondContact O-CG2 3.38Å; F824-I828 PolarHBondContact O-N 3.28Å; F824-I831 HydrophobicContact CD1-CD1 4.28Å; F824-I831 HydrophobicContact CE1-CD1 4.39Å; F824-F945 HydrophobicContact CD2-CE1 4.38Å; F824-F945 HydrophobicContact CD2-CZ 4.35Å; F824-F945 HydrophobicContact CE2-CE1 4.31Å; F824-F945 HydrophobicContact CE2-CZ 4.2Å; F824-F945 HydrophobicContact CZ-CE1 4.4Å; F824-V949 HydrophobicContact CB-CG1 4.04Å; F824-V949 HydrophobicContact CB-CG2 4.28Å
825E83.5Confident83.9Confident22 Ų2254.2 Ų54.210%0.10327%0.266CS..Hα-helixtrans-58.8-37.6177.7-167.3-176.2176.700113.1W821 R822 F823 R957 R967W821-E825 PolarHBondContact O-N 2.95Å; R822-E825 WeakPolarHBondContact O-CB 3.16Å; R822-E825 PolarHBondContact O-N 3.49Å; R822-E825 VanDerWaalsContact O-N 3.16Å; F823-E825 VanDerWaalsContact C-N 3.34Å; F823-E825 PolarHBondContact O-N 2.93Å; E825-R957 VanDerWaalsContact CD-NH2 3.28Å; E825-R957 IonicContact OE1-CZ 2.81Å; E825-R957 IonicContact OE1-NH1 3.65Å; E825-R957 PolarHBondContact OE1-NH1 3.25Å; E825-R957 IonicContact OE1-NH2 3.09Å; E825-R957 PolarHBondContact OE1-NH2 3.5Å; E825-R957 IonicContact OE2-CZ 2.71Å; E825-R957 IonicContact OE2-NH1 2.72Å; E825-R957 PolarHBondContact OE2-NH1 3.3Å; E825-R957 IonicContact OE2-NH2 2.61Å; E825-R957 PolarHBondContact OE2-NH2 2.89Å; E825-R967 HydrophobicContact CG-CG 4.48Å; E825-R967 WeakPolarHBondContact OE1-CG 3.36Å
826V80.6Confident84.5Confident42 Ų4248.4 Ų48.426%0.25524%0.239SC..Hα-helixtrans-76.8-34178.31770000112.5R822 F823 F824 V970R822-V826 PolarHBondContact O-N 2.93Å; R822-V826 VanDerWaalsContact O-N 3.14Å; F823-V826 PolarHBondContact O-N 3.3Å; F824-V826 VanDerWaalsContact C-N 3.27Å; F824-V826 PolarHBondContact O-N 3.11Å; V826-V970 HydrophobicContact CG2-CG2 4.36Å
827H85.7Confident85.1Confident61 Ų6145.1 Ų45.128%0.28222%0.219SC..Hα-helixtrans-110.4-13.1-169-69.6-92000116F823 F824 S829 K830 I831F823-H827 AromaticContact CD2-CD2 3.65Å; F823-H827 AromaticContact CE2-CD2 3.48Å; F823-H827 VanDerWaalsContact CE2-CD2 3.48Å; F823-H827 WeakPolarHBondContact CE2-CD2 3.48Å; F823-H827 AromaticContact CE2-NE2 3.66Å; F823-H827 HydrophobicContact CZ-CB 4.49Å; F823-H827 AromaticContact CZ-CD2 3.97Å; F823-H827 PolarHBondContact O-CD2 3.02Å; F823-H827 PolarHBondContact O-N 3.23Å; F824-H827 PolarHBondContact O-N 3.16Å; H827-S829 PolarHBondContact O-N 3.35Å; H827-K830 WeakPolarHBondContact O-CB 3.32Å; H827-K830 PolarHBondContact O-N 2.91Å; H827-K830 VanDerWaalsContact O-N 3.12Å; H827-I831 HydrophobicContact CB-CD1 3.95Å; H827-I831 HydrophobicContact CB-CG1 4.44Å; H827-I831 WeakPolarHBondContact O-CG1 3.29Å; H827-I831 PolarHBondContact O-N 3.24Å
828I84.9Confident85.7Confident12 Ų1245 Ų456%0.06222%0.218CC..Hα-helixtrans-63.1-35.3-167.5-170.558.9000114.4F824 I831 V832 F945 Q946 V949F824-I828 WeakPolarHBondContact O-CA 3.38Å; F824-I828 WeakPolarHBondContact O-CB 3.35Å; F824-I828 WeakPolarHBondContact O-CG2 3.38Å; F824-I828 PolarHBondContact O-N 3.28Å; I828-I831 PolarHBondContact O-N 3.08Å; I828-V832 HydrophobicContact CD1-CG2 4.2Å; I828-V832 HydrophobicContact CG1-CG2 4.34Å; I828-V832 VanDerWaalsContact O-CG2 3.29Å; I828-V832 WeakPolarHBondContact O-CG2 3.43Å; I828-V832 PolarHBondContact O-N 2.77Å; I828-F945 HydrophobicContact CD1-CD1 3.95Å; I828-F945 HydrophobicContact CD1-CE1 4.26Å; I828-Q946 HydrophobicContact CG1-CB 4.2Å; I828-Q946 HydrophobicContact CG1-CG 4.23Å; I828-Q946 HydrophobicContact CG2-CG 4.41Å; I828-V949 HydrophobicContact CG1-CG2 4.47Å; I828-V949 HydrophobicContact CG2-CG1 4.39Å
829S82.3Confident86.1Confident29 Ų2944.3 Ų44.320%0.20322%0.215CC..Hα-helixtrans-63.4-45.6174.851.30000111.3H827 I831 V832 F833H827-S829 PolarHBondContact O-N 3.35Å; S829-I831 VanDerWaalsContact C-N 3.34Å; S829-I831 PolarHBondContact O-N 2.82Å; S829-V832 PolarHBondContact O-N 3.5Å; S829-F833 WeakPolarHBondContact O-CB 3.44Å; S829-F833 WeakPolarHBondContact O-CD2 3.46Å; S829-F833 WeakPolarHBondContact O-CG 3.32Å; S829-F833 PolarHBondContact O-N 3.42Å
830K86.2Confident86.6Confident81 Ų8141.3 Ų41.335%0.35220%0.199SC..Hα-helixtrans-60.5-42175.9-53.7-172.1-177.6-167.70111.9H827 F833 V834 C1117H827-K830 WeakPolarHBondContact O-CB 3.32Å; H827-K830 PolarHBondContact O-N 2.91Å; H827-K830 VanDerWaalsContact O-N 3.12Å; K830-F833 PolarHBondContact O-N 3.04Å; K830-V834 VanDerWaalsContact O-CG2 3.3Å; K830-V834 WeakPolarHBondContact O-CG2 3.39Å; K830-V834 PolarHBondContact O-N 2.9Å; K830-C1117 PolarHBondContact NZ-SG 3.34Å
831I87.4Confident86.9Confident58 Ų5837 Ų3730%0.29718%0.177SC..Hα-helixtrans-63.6-45.7177.6-66.8165.5000110.8F824 H827 I828 S829 V834 I835F824-I831 HydrophobicContact CD1-CD1 4.28Å; F824-I831 HydrophobicContact CE1-CD1 4.39Å; H827-I831 HydrophobicContact CB-CD1 3.95Å; H827-I831 HydrophobicContact CB-CG1 4.44Å; H827-I831 WeakPolarHBondContact O-CG1 3.29Å; H827-I831 PolarHBondContact O-N 3.24Å; I828-I831 PolarHBondContact O-N 3.08Å; S829-I831 VanDerWaalsContact C-N 3.34Å; S829-I831 PolarHBondContact O-N 2.82Å; I831-V834 PolarHBondContact O-N 3.34Å; I831-I835 HydrophobicContact CG2-CD1 3.96Å; I831-I835 WeakPolarHBondContact O-CG1 3.42Å; I831-I835 PolarHBondContact O-N 3.27Å
832V88.2Confident86.9Confident1 Ų139.4 Ų39.41%0.00619%0.193CC..Hα-helixtrans-63.4-41.1176.4171.20000111.4I828 S829 I835 I836 A942 L943 Q946I828-V832 HydrophobicContact CD1-CG2 4.2Å; I828-V832 HydrophobicContact CG1-CG2 4.34Å; I828-V832 VanDerWaalsContact O-CG2 3.29Å; I828-V832 WeakPolarHBondContact O-CG2 3.43Å; I828-V832 PolarHBondContact O-N 2.77Å; S829-V832 PolarHBondContact O-N 3.5Å; V832-I835 PolarHBondContact O-N 3.15Å; V832-I836 HydrophobicContact CG1-CD1 3.8Å; V832-I836 VanDerWaalsContact O-CG1 3.32Å; V832-I836 WeakPolarHBondContact O-CG1 3.35Å; V832-I836 PolarHBondContact O-N 3.41Å; V832-A942 HydrophobicContact CG2-CB 4.26Å; V832-L943 HydrophobicContact CG1-CD2 3.75Å; V832-L943 HydrophobicContact CG1-CG 4.16Å; V832-Q946 HydrophobicContact CG2-CB 4.23Å
833F89Confident87.1Confident17 Ų1738 Ų388%0.07519%0.191CC..Hα-helixtrans-64.2-39.3176-63.5-21000112.4S829 K830 I836 A837 L855 A858 I859 F1109S829-F833 WeakPolarHBondContact O-CB 3.44Å; S829-F833 WeakPolarHBondContact O-CD2 3.46Å; S829-F833 WeakPolarHBondContact O-CG 3.32Å; S829-F833 PolarHBondContact O-N 3.42Å; K830-F833 PolarHBondContact O-N 3.04Å; F833-I836 PolarHBondContact O-N 3.13Å; F833-A837 WeakPolarHBondContact O-CB 3.37Å; F833-A837 PolarHBondContact O-N 3.46Å; F833-L855 HydrophobicContact CB-CD1 3.76Å; F833-L855 HydrophobicContact CD1-CD1 3.91Å; F833-L855 HydrophobicContact CG-CD1 3.98Å; F833-A858 HydrophobicContact CE1-CB 4.14Å; F833-A858 HydrophobicContact CE2-CB 4.39Å; F833-A858 HydrophobicContact CZ-CB 3.82Å; F833-I859 HydrophobicContact CD2-CG1 3.99Å; F833-I859 HydrophobicContact CE2-CG1 4.44Å; F833-F1109 HydrophobicContact CB-CZ 4.27Å
834V89.2Confident87.2Confident32 Ų3235.8 Ų35.819%0.19418%0.184CC..Hα-helixtrans-64.6-43.1173.3169.20000111.7K830 I831 I836 A837 I838 F1109 F1110 L1113K830-V834 VanDerWaalsContact O-CG2 3.3Å; K830-V834 WeakPolarHBondContact O-CG2 3.39Å; K830-V834 PolarHBondContact O-N 2.9Å; I831-V834 PolarHBondContact O-N 3.34Å; V834-I836 VanDerWaalsContact C-N 3.33Å; V834-I836 PolarHBondContact O-N 3.31Å; V834-A837 PolarHBondContact O-N 3.42Å; V834-I838 HydrophobicContact CG1-CD1 3.76Å; V834-I838 HydrophobicContact CG1-CG1 4.47Å; V834-I838 WeakPolarHBondContact O-CG1 3.47Å; V834-I838 PolarHBondContact O-N 3.19Å; V834-F1109 HydrophobicContact CG2-CE1 3.88Å; V834-F1110 HydrophobicContact CG1-CZ 4.25Å; V834-F1110 HydrophobicContact CG2-CE1 4.19Å; V834-F1110 HydrophobicContact CG2-CZ 4.44Å; V834-L1113 HydrophobicContact CG2-CD2 4.15Å
835I90.4Very high87.2Confident54 Ų5435.2 Ų35.228%0.27718%0.183SC..Hα-helixtrans-59.7-44.9176.5-70.1164.8000110.7I831 V832 F839 V938 A942I831-I835 HydrophobicContact CG2-CD1 3.96Å; I831-I835 WeakPolarHBondContact O-CG1 3.42Å; I831-I835 PolarHBondContact O-N 3.27Å; V832-I835 PolarHBondContact O-N 3.15Å; I835-F839 WeakPolarHBondContact O-CB 3.49Å; I835-F839 PolarHBondContact O-N 2.62Å; I835-V938 HydrophobicContact CG2-CG1 4.35Å; I835-A942 HydrophobicContact CD1-CB 4.03Å
836I90.2Very high87.4Confident2 Ų234.7 Ų34.71%0.0118%0.182CC..Hα-helixtrans-68.2-40.2178.6-66.7169.6000111.1V832 F833 V834 F839 I840 L851 L855 M873 L943V832-I836 HydrophobicContact CG1-CD1 3.8Å; V832-I836 VanDerWaalsContact O-CG1 3.32Å; V832-I836 WeakPolarHBondContact O-CG1 3.35Å; V832-I836 PolarHBondContact O-N 3.41Å; F833-I836 PolarHBondContact O-N 3.13Å; V834-I836 VanDerWaalsContact C-N 3.33Å; V834-I836 PolarHBondContact O-N 3.31Å; I836-F839 PolarHBondContact O-N 2.7Å; I836-I840 HydrophobicContact CG2-CD1 3.73Å; I836-I840 HydrophobicContact CG2-CG1 4.35Å; I836-I840 VanDerWaalsContact O-CG1 3.27Å; I836-I840 WeakPolarHBondContact O-CG1 3.35Å; I836-I840 PolarHBondContact O-N 3.29Å; I836-L851 HydrophobicContact CG2-CD2 4.02Å; I836-L851 HydrophobicContact CG2-CG 4.23Å; I836-L855 HydrophobicContact CG2-CD1 4.5Å; I836-L855 HydrophobicContact CG2-CD2 4.29Å; I836-M873 HydrophobicContact CD1-CE 4.22Å; I836-M873 HydrophobicContact CG2-CE 3.9Å; I836-L943 HydrophobicContact CD1-CD1 4.44Å; I836-L943 HydrophobicContact CD1-CD2 4.45Å
837A89.8Confident87.8Confident2 Ų233.3 Ų33.32%0.01717%0.173CC..Hα-helixtrans-59.9-46.9176.300000112.3F833 V834 I840 A841 L855 F1109F833-A837 WeakPolarHBondContact O-CB 3.37Å; F833-A837 PolarHBondContact O-N 3.46Å; V834-A837 PolarHBondContact O-N 3.42Å; A837-I840 PolarHBondContact O-N 2.8Å; A837-A841 VanDerWaalsContact O-CB 3.3Å; A837-A841 WeakPolarHBondContact O-CB 3.41Å; A837-A841 PolarHBondContact O-N 3.21Å; A837-L855 HydrophobicContact CB-CD2 4.01Å; A837-F1109 HydrophobicContact CB-CD1 3.79Å; A837-F1109 HydrophobicContact CB-CD2 3.72Å; A837-F1109 HydrophobicContact CB-CE1 3.72Å; A837-F1109 HydrophobicContact CB-CE2 3.62Å; A837-F1109 HydrophobicContact CB-CG 3.8Å; A837-F1109 HydrophobicContact CB-CZ 3.63Å
838I90.6Very high88.1Confident69 Ų6930.5 Ų30.535%0.35416%0.16SC..Hα-helixtrans-65.2-40.7177.5-65.8167.3000110.8V834 I840 A841 N842 I1106V834-I838 HydrophobicContact CG1-CD1 3.76Å; V834-I838 HydrophobicContact CG1-CG1 4.47Å; V834-I838 WeakPolarHBondContact O-CG1 3.47Å; V834-I838 PolarHBondContact O-N 3.19Å; I838-I840 PolarHBondContact O-N 2.9Å; I838-A841 PolarHBondContact O-N 2.56Å; I838-N842 WeakPolarHBondContact O-CB 3.42Å; I838-N842 PolarHBondContact O-N 3.49Å; I838-N842 VanDerWaalsContact O-N 3.15Å; I838-I1106 HydrophobicContact CG1-CD1 4.33Å
839F89.5Confident88.3Confident20 Ų2031.6 Ų31.69%0.08817%0.166CC..Hα-helixtrans-60.3-44.7176.1170.4-114.5000112.1I835 I836 N843 Y848 L851 L877 V936I835-F839 WeakPolarHBondContact O-CB 3.49Å; I835-F839 PolarHBondContact O-N 2.62Å; I836-F839 PolarHBondContact O-N 2.7Å; F839-N843 PolarHBondContact O-N 3.27Å; F839-N843 PolarHBondContact O-ND2 3.17Å; F839-Y848 HydrophobicContact CE1-CD1 4.1Å; F839-Y848 AromaticContact CE1-CE1 3.65Å; F839-Y848 HydrophobicContact CE1-CE1 3.65Å; F839-Y848 AromaticContact CZ-CE1 3.76Å; F839-Y848 HydrophobicContact CZ-CE1 3.76Å; F839-Y848 AromaticContact CZ-CZ 3.74Å; F839-L851 HydrophobicContact CD1-CD2 4.4Å; F839-L851 HydrophobicContact CE1-CD2 4.37Å; F839-L877 HydrophobicContact CE1-CD2 4.12Å; F839-V936 HydrophobicContact CE1-CG2 4.41Å; F839-V936 HydrophobicContact CE2-CG2 4.25Å; F839-V936 HydrophobicContact CZ-CG2 3.64Å
840I90.9Very high88.7Confident0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-70.2-44.6177.8-60.6160.7000111.6I836 A837 I838 N842 N843 L851 V852 L855 F1056I836-I840 HydrophobicContact CG2-CD1 3.73Å; I836-I840 HydrophobicContact CG2-CG1 4.35Å; I836-I840 VanDerWaalsContact O-CG1 3.27Å; I836-I840 WeakPolarHBondContact O-CG1 3.35Å; I836-I840 PolarHBondContact O-N 3.29Å; A837-I840 PolarHBondContact O-N 2.8Å; I838-I840 PolarHBondContact O-N 2.9Å; I840-N842 PolarHBondContact O-N 2.76Å; I840-N843 CarbonylContact O-C 3.43Å; I840-N843 VanDerWaalsContact O-C 3.24Å; I840-N843 PolarHBondContact O-N 2.77Å; I840-N843 VanDerWaalsContact O-O 3.13Å; I840-L851 HydrophobicContact CD1-CB 3.9Å; I840-L851 HydrophobicContact CD1-CD2 3.89Å; I840-L851 HydrophobicContact CD1-CG 4Å; I840-L851 HydrophobicContact CG1-CB 4.38Å; I840-L851 HydrophobicContact CG1-CD2 3.82Å; I840-L851 HydrophobicContact CG1-CG 4.45Å; I840-V852 HydrophobicContact CD1-CG2 4.14Å; I840-V852 HydrophobicContact CG2-CG2 3.59Å; I840-L855 HydrophobicContact CD1-CD2 4.12Å; I840-F1056 HydrophobicContact CG2-CD2 4.15Å; I840-F1056 HydrophobicContact CG2-CE2 3.4Å; I840-F1056 VanDerWaalsContact CG2-CE2 3.4Å; I840-F1056 HydrophobicContact CG2-CZ 3.64Å
841A88.5Confident88.9Confident2 Ų228.7 Ų28.72%0.01716%0.155CC..Hα-helixtrans-60.6-29.6-178.400000112.4A837 I838 S1102 L1105 I1106A837-A841 VanDerWaalsContact O-CB 3.3Å; A837-A841 WeakPolarHBondContact O-CB 3.41Å; A837-A841 PolarHBondContact O-N 3.21Å; I838-A841 PolarHBondContact O-N 2.56Å; A841-S1102 WeakPolarHBondContact O-CB 3.41Å; A841-L1105 HydrophobicContact CB-CB 4.21Å; A841-I1106 HydrophobicContact CB-CD1 4.18Å; A841-I1106 HydrophobicContact CB-CG1 3.86Å
842N87.4Confident89.1Confident95 Ų9526.1 Ų26.151%0.50814%0.142SC..THydrogen-bonded Turntrans-87-3.7175-68.9-7.7000114.4I838 I840 S1102I838-N842 WeakPolarHBondContact O-CB 3.42Å; I838-N842 PolarHBondContact O-N 3.49Å; I838-N842 VanDerWaalsContact O-N 3.15Å; I840-N842 PolarHBondContact O-N 2.76Å; N842-S1102 WeakPolarHBondContact OD1-CB 3.47Å; N842-S1102 PolarHBondContact OD1-OG 3.23Å
843N85.6Confident89.2Confident53 Ų5329.3 Ų29.328%0.28316%0.158SC..  trans-136.977.4-179.9-64.5-96.8000109.3F839 I840 N845 Y848F839-N843 PolarHBondContact O-N 3.27Å; F839-N843 PolarHBondContact O-ND2 3.17Å; I840-N843 CarbonylContact O-C 3.43Å; I840-N843 VanDerWaalsContact O-C 3.24Å; I840-N843 PolarHBondContact O-N 2.77Å; I840-N843 VanDerWaalsContact O-O 3.13Å; N843-N845 PolarHBondContact O-N 3.23Å; N843-N845 PolarHBondContact O-OD1 3.47Å; N843-Y848 HydrophobicContact CB-CD2 3.99Å; N843-Y848 HydrophobicContact CB-CE2 3.76Å; N843-Y848 VanDerWaalsContact O-CD2 3.3Å; N843-Y848 WeakPolarHBondContact O-CD2 3.46Å
844I86Confident89.2Confident48 Ų4830.5 Ų30.525%0.24617%0.165CC..  trans-80.769.6-175-50.9175.9000109.6F1056 Y1059 V1060 W1100I844-F1056 HydrophobicContact CB-CE2 4.41Å; I844-F1056 HydrophobicContact CG1-CE2 4.38Å; I844-F1056 HydrophobicContact CG2-CE2 4.08Å; I844-F1056 HydrophobicContact CG2-CZ 4.34Å; I844-Y1059 HydrophobicContact CD1-CD2 4.27Å; I844-V1060 HydrophobicContact CG2-CG2 3.67Å; I844-W1100 HydrophobicContact CD1-CB 4.35Å
845N86.2Confident89.2Confident40 Ų4029 Ų2921%0.21416%0.156CC..  trans-121.4149.3-176.7-54.266.3000110.6N843 L847 Y848 G919N843-N845 PolarHBondContact O-N 3.23Å; N843-N845 PolarHBondContact O-OD1 3.47Å; N845-L847 PolarHBondContact O-N 3.23Å; N845-L847 VanDerWaalsContact O-N 3.14Å; N845-Y848 HydrophobicContact CB-CD2 4.05Å; N845-Y848 HydrophobicContact CB-CE2 4.27Å; N845-Y848 PolarHBondContact O-N 2.86Å; N845-G919 WeakPolarHBondContact ND2-CA 3.31Å
846A87.5Confident89.1Confident11 Ų1127 Ų279%0.09115%0.146CC..G310 helixtrans-59-31.8-17600000113.5Y848 I849 W917 F918 V1060A846-Y848 PolarHBondContact O-N 3.43Å; A846-I849 HydrophobicContact CB-CD1 4.17Å; A846-I849 WeakPolarHBondContact O-CB 3.33Å; A846-I849 WeakPolarHBondContact O-CG1 3.5Å; A846-I849 PolarHBondContact O-N 3.31Å; A846-I849 VanDerWaalsContact O-N 3.12Å; A846-W917 HydrophobicContact CB-CD2 4.37Å; A846-W917 HydrophobicContact CB-CE3 4.1Å; A846-W917 HydrophobicContact CB-CH2 3.8Å; A846-W917 HydrophobicContact CB-CZ2 4.08Å; A846-W917 HydrophobicContact CB-CZ3 3.82Å; A846-W917 PolarHBondContact N-O 3Å; A846-F918 HydrophobicContact CB-CD2 4.34Å; A846-V1060 HydrophobicContact CB-CG1 4.3Å
847L88.3Confident89Confident13 Ų1330.6 Ų30.67%0.06817%0.165CC..G310 helixtrans-56.3-20.7175.3-17264.7000114.2N845 Y876 V880 F918N845-L847 PolarHBondContact O-N 3.23Å; N845-L847 VanDerWaalsContact O-N 3.14Å; L847-Y876 WeakPolarHBondContact O-CE1 3.29Å; L847-Y876 PolarHBondContact O-OH 2.87Å; L847-V880 HydrophobicContact CD1-CG2 4.17Å; L847-V880 HydrophobicContact CD2-CG1 3.89Å; L847-V880 HydrophobicContact CD2-CG2 4.02Å; L847-V880 HydrophobicContact CG-CG2 4.02Å; L847-F918 WeakPolarHBondContact CB-O 3.39Å; L847-F918 HydrophobicContact CD1-CE1 3.94Å; L847-F918 HydrophobicContact CD1-CZ 4.14Å; L847-F918 PolarHBondContact N-O 3.41Å
848Y91.5Very high88.7Confident2 Ų230.7 Ų30.71%0.00817%0.166CC..G310 helixtrans-98.2-2.8-179.5-59-60.4000114.5F839 N843 N845 A846 L851 V852 V880F839-Y848 HydrophobicContact CE1-CD1 4.1Å; F839-Y848 AromaticContact CE1-CE1 3.65Å; F839-Y848 HydrophobicContact CE1-CE1 3.65Å; F839-Y848 AromaticContact CZ-CE1 3.76Å; F839-Y848 HydrophobicContact CZ-CE1 3.76Å; F839-Y848 AromaticContact CZ-CZ 3.74Å; N843-Y848 HydrophobicContact CB-CD2 3.99Å; N843-Y848 HydrophobicContact CB-CE2 3.76Å; N843-Y848 VanDerWaalsContact O-CD2 3.3Å; N843-Y848 WeakPolarHBondContact O-CD2 3.46Å; N845-Y848 HydrophobicContact CB-CD2 4.05Å; N845-Y848 HydrophobicContact CB-CE2 4.27Å; N845-Y848 PolarHBondContact O-N 2.86Å; A846-Y848 PolarHBondContact O-N 3.43Å; Y848-L851 HydrophobicContact CD1-CD2 4.18Å; Y848-L851 WeakPolarHBondContact O-CA 3.48Å; Y848-L851 WeakPolarHBondContact O-CB 3.32Å; Y848-L851 PolarHBondContact O-N 3.22Å; Y848-V852 PolarHBondContact O-N 2.9Å; Y848-V852 VanDerWaalsContact O-N 3.11Å; Y848-V880 HydrophobicContact CE1-CG1 4.35Å
849I89.7Confident88.5Confident34 Ų3428.4 Ų28.417%0.17416%0.155CC..Hα-helixtrans-53.1-46.7175.6-68.9169.4000112.7A846 L851 V852 I853 F1056 F1057 V1060A846-I849 HydrophobicContact CB-CD1 4.17Å; A846-I849 WeakPolarHBondContact O-CB 3.33Å; A846-I849 WeakPolarHBondContact O-CG1 3.5Å; A846-I849 PolarHBondContact O-N 3.31Å; A846-I849 VanDerWaalsContact O-N 3.12Å; I849-L851 PolarHBondContact O-N 3.36Å; I849-V852 PolarHBondContact O-N 2.82Å; I849-I853 HydrophobicContact CG2-CD1 4.02Å; I849-I853 WeakPolarHBondContact O-CG1 3.41Å; I849-I853 PolarHBondContact O-N 2.89Å; I849-F1056 HydrophobicContact CG1-CD1 4.22Å; I849-F1056 HydrophobicContact CG1-CE1 3.87Å; I849-F1057 HydrophobicContact CD1-CD1 4.19Å; I849-F1057 HydrophobicContact CD1-CE1 4.01Å; I849-F1057 HydrophobicContact CG1-CE1 4.29Å; I849-F1057 HydrophobicContact CG2-CD1 4.46Å; I849-F1057 HydrophobicContact CG2-CE1 3.47Å; I849-F1057 VanDerWaalsContact CG2-CE1 3.47Å; I849-F1057 HydrophobicContact CG2-CZ 3.65Å; I849-V1060 HydrophobicContact CD1-CG1 4.44Å
850P90.2Very high88.1Confident50 Ų5030.7 Ų30.733%0.32517%0.172SC..Hα-helixtrans-62-30.5176.4-23.435.8000112.9L854P850-L854 WeakPolarHBondContact O-CB 3.28Å; P850-L854 VanDerWaalsContact O-CG 3.25Å; P850-L854 WeakPolarHBondContact O-CG 3.35Å; P850-L854 PolarHBondContact O-N 2.97Å
851L90.4Very high87.4Confident0 Ų034.3 Ų34.30%019%0.191CC..Hα-helixtrans-69.7-38.5178.9-143.372.4000111I836 F839 I840 Y848 I849 L855 M873 Y876 L877I836-L851 HydrophobicContact CG2-CD2 4.02Å; I836-L851 HydrophobicContact CG2-CG 4.23Å; F839-L851 HydrophobicContact CD1-CD2 4.4Å; F839-L851 HydrophobicContact CE1-CD2 4.37Å; I840-L851 HydrophobicContact CD1-CB 3.9Å; I840-L851 HydrophobicContact CD1-CD2 3.89Å; I840-L851 HydrophobicContact CD1-CG 4Å; I840-L851 HydrophobicContact CG1-CB 4.38Å; I840-L851 HydrophobicContact CG1-CD2 3.82Å; I840-L851 HydrophobicContact CG1-CG 4.45Å; Y848-L851 HydrophobicContact CD1-CD2 4.18Å; Y848-L851 WeakPolarHBondContact O-CA 3.48Å; Y848-L851 WeakPolarHBondContact O-CB 3.32Å; Y848-L851 PolarHBondContact O-N 3.22Å; I849-L851 PolarHBondContact O-N 3.36Å; L851-L855 WeakPolarHBondContact O-CB 3.39Å; L851-L855 PolarHBondContact O-N 3.47Å; L851-M873 HydrophobicContact CD1-CE 3.83Å; L851-M873 HydrophobicContact CD1-SD 3.43Å; L851-M873 WeakPolarHBondContact CD1-SD 3.34Å; L851-M873 HydrophobicContact CG-CE 3.75Å; L851-M873 HydrophobicContact CG-SD 3.97Å; L851-Y876 HydrophobicContact CD1-CD1 4.05Å; L851-L877 HydrophobicContact CD1-CG 4.47Å; L851-L877 HydrophobicContact CD2-CD2 4.17Å
852V91.4Very high86.4Confident3 Ų338.9 Ų38.92%0.01822%0.221CC..Hα-helixtrans-65.1-44.5174.2179.10000111.9I840 Y848 I849 L855 S856 Y1052 P1053 F1056I840-V852 HydrophobicContact CD1-CG2 4.14Å; I840-V852 HydrophobicContact CG2-CG2 3.59Å; Y848-V852 PolarHBondContact O-N 2.9Å; Y848-V852 VanDerWaalsContact O-N 3.11Å; I849-V852 PolarHBondContact O-N 2.82Å; V852-L855 PolarHBondContact O-N 3.38Å; V852-S856 WeakPolarHBondContact O-CB 2.87Å; V852-S856 PolarHBondContact O-N 3.22Å; V852-S856 PolarHBondContact O-OG 3.36Å; V852-Y1052 HydrophobicContact CG1-CD1 4.18Å; V852-Y1052 HydrophobicContact CG1-CE1 3.91Å; V852-P1053 HydrophobicContact CG1-CB 4.07Å; V852-F1056 HydrophobicContact CG1-CB 4.38Å; V852-F1056 HydrophobicContact CG2-CD1 3.76Å; V852-F1056 HydrophobicContact CG2-CD2 4.14Å; V852-F1056 HydrophobicContact CG2-CE1 3.92Å; V852-F1056 HydrophobicContact CG2-CE2 4.3Å; V852-F1056 HydrophobicContact CG2-CG 3.87Å; V852-F1056 HydrophobicContact CG2-CZ 4.19Å
853I90.5Very high85.4Confident69 Ų6938.3 Ų38.335%0.35422%0.224SC..Hα-helixtrans-64.6-46.7179.5-63.5167.3000110.1I849 L855 S856 L857 F1057I849-I853 HydrophobicContact CG2-CD1 4.02Å; I849-I853 WeakPolarHBondContact O-CG1 3.41Å; I849-I853 PolarHBondContact O-N 2.89Å; I853-L855 VanDerWaalsContact C-N 3.33Å; I853-L855 PolarHBondContact O-N 3.35Å; I853-S856 PolarHBondContact O-OG 3.36Å; I853-S856 VanDerWaalsContact O-OG 3.06Å; I853-L857 HydrophobicContact CG2-CD1 3.92Å; I853-L857 WeakPolarHBondContact O-CB 3.41Å; I853-L857 VanDerWaalsContact O-CG 3.23Å; I853-L857 WeakPolarHBondContact O-CG 3.12Å; I853-L857 PolarHBondContact O-N 2.76Å; I853-L857 VanDerWaalsContact O-N 3.07Å; I853-F1057 HydrophobicContact CD1-CZ 4.3Å
854L89.9Confident84.4Confident41 Ų4140.1 Ų40.122%0.21525%0.247CC..Hα-helixtrans-64.7-35.5176.7-71.1170.1000112.6P850 A858 F869 M873P850-L854 WeakPolarHBondContact O-CB 3.28Å; P850-L854 VanDerWaalsContact O-CG 3.25Å; P850-L854 WeakPolarHBondContact O-CG 3.35Å; P850-L854 PolarHBondContact O-N 2.97Å; L854-A858 WeakPolarHBondContact O-CB 3.41Å; L854-A858 PolarHBondContact O-N 2.76Å; L854-F869 HydrophobicContact CD2-CD1 3.91Å; L854-F869 HydrophobicContact CD2-CE1 4.2Å; L854-M873 HydrophobicContact CB-CE 4.27Å; L854-M873 HydrophobicContact CB-CG 4.5Å; L854-M873 HydrophobicContact CB-SD 3.42Å; L854-M873 WeakPolarHBondContact CB-SD 3.47Å; L854-M873 HydrophobicContact CD1-SD 3.71Å; L854-M873 HydrophobicContact CG-SD 4.21Å
855L89.8Confident83.9Confident1 Ų139 Ų391%0.00524%0.244CC..Hα-helixtrans-69.3-47.2178-179.265000112.7F833 I836 A837 I840 L851 V852 I853 A858 I859 M873 F1109F833-L855 HydrophobicContact CB-CD1 3.76Å; F833-L855 HydrophobicContact CD1-CD1 3.91Å; F833-L855 HydrophobicContact CG-CD1 3.98Å; I836-L855 HydrophobicContact CG2-CD1 4.5Å; I836-L855 HydrophobicContact CG2-CD2 4.29Å; A837-L855 HydrophobicContact CB-CD2 4.01Å; I840-L855 HydrophobicContact CD1-CD2 4.12Å; L851-L855 WeakPolarHBondContact O-CB 3.39Å; L851-L855 PolarHBondContact O-N 3.47Å; V852-L855 PolarHBondContact O-N 3.38Å; I853-L855 VanDerWaalsContact C-N 3.33Å; I853-L855 PolarHBondContact O-N 3.35Å; L855-A858 PolarHBondContact O-N 2.91Å; L855-I859 HydrophobicContact CD1-CD1 4.46Å; L855-I859 PolarHBondContact O-N 3.44Å; L855-M873 HydrophobicContact CB-CE 4.19Å; L855-F1109 HydrophobicContact CD1-CE2 4.31Å; L855-F1109 HydrophobicContact CD2-CD2 4.41Å; L855-F1109 HydrophobicContact CD2-CE2 3.81Å; L855-F1109 HydrophobicContact CG-CE2 4.03Å
856S88.1Confident83.3Confident11 Ų1138 Ų388%0.07724%0.239CC..Hα-helixtrans-64.6-41.7178.1500000111.9V852 I853 I859 C860V852-S856 WeakPolarHBondContact O-CB 2.87Å; V852-S856 PolarHBondContact O-N 3.22Å; V852-S856 PolarHBondContact O-OG 3.36Å; I853-S856 PolarHBondContact O-OG 3.36Å; I853-S856 VanDerWaalsContact O-OG 3.06Å; S856-I859 PolarHBondContact O-N 3.36Å; S856-C860 PolarHBondContact O-N 3.29Å; S856-C860 PolarHBondContact O-SG 3.15Å
857L86.3Confident82.7Confident78 Ų7839.7 Ų39.741%0.40826%0.258SS..Hα-helixtrans-62.1-43171.6-70.8173000112.3I853 I859 C860 L861I853-L857 HydrophobicContact CG2-CD1 3.92Å; I853-L857 WeakPolarHBondContact O-CB 3.41Å; I853-L857 VanDerWaalsContact O-CG 3.23Å; I853-L857 WeakPolarHBondContact O-CG 3.12Å; I853-L857 PolarHBondContact O-N 2.76Å; I853-L857 VanDerWaalsContact O-N 3.07Å; L857-I859 PolarHBondContact O-N 3.11Å; L857-C860 PolarHBondContact O-N 2.94Å; L857-L861 HydrophobicContact CB-CD1 4.22Å; L857-L861 VanDerWaalsContact O-CB 3.3Å; L857-L861 WeakPolarHBondContact O-CB 3.38Å; L857-L861 VanDerWaalsContact O-CG 3.28Å; L857-L861 WeakPolarHBondContact O-CG 3.49Å; L857-L861 PolarHBondContact O-N 3.05Å
858A84.9Confident82.4Confident5 Ų543.9 Ų43.94%0.04128%0.279CS..Hα-helixtrans-65.6-22.7179.700000114.1F833 L854 L855 F869F833-A858 HydrophobicContact CE1-CB 4.14Å; F833-A858 HydrophobicContact CE2-CB 4.39Å; F833-A858 HydrophobicContact CZ-CB 3.82Å; L854-A858 WeakPolarHBondContact O-CB 3.41Å; L854-A858 PolarHBondContact O-N 2.76Å; L855-A858 PolarHBondContact O-N 2.91Å; A858-F869 HydrophobicContact CB-CB 4.39Å; A858-F869 HydrophobicContact CB-CD2 4.05Å; A858-F869 HydrophobicContact CB-CG 4.43Å
859I85.5Confident82.2Confident21 Ų2145.5 Ų45.511%0.10829%0.286CS..Hα-helixtrans-84.3-30.9174.3-69.9170.8000111.9F833 L855 S856 L857 F1109 L1112F833-I859 HydrophobicContact CD2-CG1 3.99Å; F833-I859 HydrophobicContact CE2-CG1 4.44Å; L855-I859 HydrophobicContact CD1-CD1 4.46Å; L855-I859 PolarHBondContact O-N 3.44Å; S856-I859 PolarHBondContact O-N 3.36Å; L857-I859 PolarHBondContact O-N 3.11Å; I859-F1109 HydrophobicContact CD1-CD2 4.29Å; I859-F1109 HydrophobicContact CD1-CE2 3.32Å; I859-F1109 HydrophobicContact CD1-CZ 3.61Å; I859-L1112 HydrophobicContact CG2-CG 4.47Å
860C82Confident81.9Confident67 Ų6744.3 Ų44.345%0.45328%0.281SS..Hα-helixtrans-85.3-25.2-178.6-62.40000113.9S856 L857S856-C860 PolarHBondContact O-N 3.29Å; S856-C860 PolarHBondContact O-SG 3.15Å; L857-C860 PolarHBondContact O-N 2.94Å
861L76.2Confident81.6Confident77 Ų7745.3 Ų45.340%0.40328%0.283SS..SBendtrans-89.7158.4-175.4-71.6171.7000113.2L857 F869L857-L861 HydrophobicContact CB-CD1 4.22Å; L857-L861 VanDerWaalsContact O-CB 3.3Å; L857-L861 WeakPolarHBondContact O-CB 3.38Å; L857-L861 VanDerWaalsContact O-CG 3.28Å; L857-L861 WeakPolarHBondContact O-CG 3.49Å; L857-L861 PolarHBondContact O-N 3.05Å; L861-F869 HydrophobicContact CD1-CE2 3.63Å; L861-F869 HydrophobicContact CD1-CZ 3.64Å
862P67.3Low81.6Confident98 Ų9850.7 Ų50.764%0.63631%0.307SS*.  trans-71.5147.5-178.528.4-35.3000113.1A864 A865P862-A864 PolarHBondContact O-N 3.09Å; P862-A865 PolarHBondContact O-N 2.86Å
863S65.6Low81.4Confident83 Ų8350.9 Ų50.958%0.5831%0.308SS*.THydrogen-bonded Turntrans-64.310.1-166.562.20000118.3D866S863-D866 VanDerWaalsContact CA-OD1 3.28Å; S863-D866 WeakPolarHBondContact CA-OD1 3.46Å
864A65.5Low81.4Confident91 Ų9147.9 Ų47.975%0.75229%0.293SS*.THydrogen-bonded Turntrans-83.7-29.916700000111.9P862P862-A864 PolarHBondContact O-N 3.09Å
865A74.8Confident81.3Confident24 Ų2448.3 Ų48.320%0.19830%0.302CS..THydrogen-bonded Turntrans-78.3-25-176.300000113.4P862 G867 I868 F869P862-A865 PolarHBondContact O-N 2.86Å; A865-G867 PolarHBondContact O-N 3Å; A865-I868 PolarHBondContact O-N 2.96Å; A865-F869 HydrophobicContact CB-CD2 3.86Å; A865-F869 HydrophobicContact CB-CE2 3.51Å; A865-F869 HydrophobicContact CB-CZ 4.45Å; A865-F869 WeakPolarHBondContact O-CD2 3.37Å; A865-F869 PolarHBondContact O-N 2.84Å; A865-F869 VanDerWaalsContact O-N 3.09Å
866D73.7Confident81.3Confident19 Ų1951.3 Ų51.310%0.10231%0.314CS..Hα-helixtrans-44.9-41.5-179.7-58.519.2000113.2S863 S870S863-D866 VanDerWaalsContact CA-OD1 3.28Å; S863-D866 WeakPolarHBondContact CA-OD1 3.46Å; D866-S870 WeakPolarHBondContact O-CB 3.24Å; D866-S870 PolarHBondContact O-N 2.91Å; D866-S870 PolarHBondContact O-OG 3.33Å
867G74.8Confident81.4Confident47 Ų4750.8 Ų50.849%0.48531%0.31SS..Hα-helixtrans-63.2-43.1-178.300000112.3A865 S870 L871A865-G867 PolarHBondContact O-N 3Å; G867-S870 PolarHBondContact O-OG 3.36Å; G867-L871 PolarHBondContact O-N 3.16Å
868I83.1Confident81.6Confident101 Ų10147.4 Ų47.452%0.51829%0.292SS..Hα-helixtrans-71.3-48.5-179.4-60.8171.9000109.8A865 S870 L871 F872A865-I868 PolarHBondContact O-N 2.96Å; I868-S870 VanDerWaalsContact C-N 3.31Å; I868-S870 PolarHBondContact O-N 3.28Å; I868-L871 VanDerWaalsContact O-CB 3.31Å; I868-L871 WeakPolarHBondContact O-CB 3.48Å; I868-L871 PolarHBondContact O-N 3.44Å; I868-F872 HydrophobicContact CG2-CD2 4Å; I868-F872 HydrophobicContact CG2-CE2 3.44Å; I868-F872 VanDerWaalsContact CG2-CE2 3.44Å; I868-F872 HydrophobicContact CG2-CZ 4.02Å; I868-F872 PolarHBondContact O-N 3.33Å; I868-F872 VanDerWaalsContact O-N 3.15Å
869F86Confident81.7Confident35 Ų3552.7 Ų52.715%0.15432%0.319CS..Hα-helixtrans-59.3-42.2174.9-65.1-53000111.4L854 A858 L861 A865 L871 F872 M873L854-F869 HydrophobicContact CD2-CD1 3.91Å; L854-F869 HydrophobicContact CD2-CE1 4.2Å; A858-F869 HydrophobicContact CB-CB 4.39Å; A858-F869 HydrophobicContact CB-CD2 4.05Å; A858-F869 HydrophobicContact CB-CG 4.43Å; L861-F869 HydrophobicContact CD1-CE2 3.63Å; L861-F869 HydrophobicContact CD1-CZ 3.64Å; A865-F869 HydrophobicContact CB-CD2 3.86Å; A865-F869 HydrophobicContact CB-CE2 3.51Å; A865-F869 HydrophobicContact CB-CZ 4.45Å; A865-F869 WeakPolarHBondContact O-CD2 3.37Å; A865-F869 PolarHBondContact O-N 2.84Å; A865-F869 VanDerWaalsContact O-N 3.09Å; F869-L871 PolarHBondContact O-N 3.5Å; F869-L871 VanDerWaalsContact O-N 3.14Å; F869-F872 PolarHBondContact O-N 2.82Å; F869-M873 WeakPolarHBondContact O-CB 3.41Å; F869-M873 WeakPolarHBondContact O-CG 3.32Å; F869-M873 PolarHBondContact O-N 3.43Å
870S83.8Confident81.9Confident9 Ų951.9 Ų51.96%0.06332%0.315CS..Hα-helixtrans-64.6-1717686.90000114.6K672 D866 G867 I868 C874 Q946K672-S870 VanDerWaalsContact CE-O 3.28Å; K672-S870 WeakPolarHBondContact CE-O 3.37Å; K672-S870 PolarHBondContact NZ-O 2.78Å; K672-S870 PolarHBondContact NZ-OG 2.8Å; K672-S870 VanDerWaalsContact NZ-OG 3.08Å; D866-S870 WeakPolarHBondContact O-CB 3.24Å; D866-S870 PolarHBondContact O-N 2.91Å; D866-S870 PolarHBondContact O-OG 3.33Å; G867-S870 PolarHBondContact O-OG 3.36Å; I868-S870 VanDerWaalsContact C-N 3.31Å; I868-S870 PolarHBondContact O-N 3.28Å; S870-C874 VanDerWaalsContact O-CB 3.3Å; S870-C874 WeakPolarHBondContact O-CB 3.37Å; S870-Q946 VanDerWaalsContact CB-OE1 3.29Å; S870-Q946 PolarHBondContact OG-OE1 3.37Å
871L85.4Confident82.1Confident71 Ų7148.7 Ų48.737%0.37229%0.294SS..Hα-helixtrans-80.2-50.2171.6-171.982.5000110K672 G867 I868 F869 C874 A875K672-L871 HydrophobicContact CG-CD1 4.09Å; G867-L871 PolarHBondContact O-N 3.16Å; I868-L871 VanDerWaalsContact O-CB 3.31Å; I868-L871 WeakPolarHBondContact O-CB 3.48Å; I868-L871 PolarHBondContact O-N 3.44Å; F869-L871 PolarHBondContact O-N 3.5Å; F869-L871 VanDerWaalsContact O-N 3.14Å; L871-C874 WeakPolarHBondContact O-CB 3.45Å; L871-C874 PolarHBondContact O-N 2.84Å; L871-C874 VanDerWaalsContact O-N 3.16Å; L871-A875 PolarHBondContact O-N 2.66Å
872F88.5Confident82.6Confident114 Ų11447.5 Ų47.550%0.529%0.287SS..Hα-helixtrans-62.1-43.7179.2-64-42.7000112.3I868 F869 C874 A875 Y876I868-F872 HydrophobicContact CG2-CD2 4Å; I868-F872 HydrophobicContact CG2-CE2 3.44Å; I868-F872 VanDerWaalsContact CG2-CE2 3.44Å; I868-F872 HydrophobicContact CG2-CZ 4.02Å; I868-F872 PolarHBondContact O-N 3.33Å; I868-F872 VanDerWaalsContact O-N 3.15Å; F869-F872 PolarHBondContact O-N 2.82Å; F872-C874 VanDerWaalsContact C-N 3.27Å; F872-C874 PolarHBondContact O-N 3.19Å; F872-A875 PolarHBondContact O-N 2.91Å; F872-Y876 WeakPolarHBondContact O-CB 3.36Å; F872-Y876 PolarHBondContact O-N 3.07Å
873M88.9Confident83.6Confident7 Ų745.1 Ų45.13%0.03427%0.273CS..Hα-helixtrans-58-40.6174-61.3-73.8-96.400111.4I836 L851 L854 L855 F869 L877 L943I836-M873 HydrophobicContact CD1-CE 4.22Å; I836-M873 HydrophobicContact CG2-CE 3.9Å; L851-M873 HydrophobicContact CD1-CE 3.83Å; L851-M873 HydrophobicContact CD1-SD 3.43Å; L851-M873 WeakPolarHBondContact CD1-SD 3.34Å; L851-M873 HydrophobicContact CG-CE 3.75Å; L851-M873 HydrophobicContact CG-SD 3.97Å; L854-M873 HydrophobicContact CB-CE 4.27Å; L854-M873 HydrophobicContact CB-CG 4.5Å; L854-M873 HydrophobicContact CB-SD 3.42Å; L854-M873 WeakPolarHBondContact CB-SD 3.47Å; L854-M873 HydrophobicContact CD1-SD 3.71Å; L854-M873 HydrophobicContact CG-SD 4.21Å; L855-M873 HydrophobicContact CB-CE 4.19Å; F869-M873 WeakPolarHBondContact O-CB 3.41Å; F869-M873 WeakPolarHBondContact O-CG 3.32Å; F869-M873 PolarHBondContact O-N 3.43Å; M873-L877 WeakPolarHBondContact O-CB 3.46Å; M873-L877 WeakPolarHBondContact O-CD1 3.45Å; M873-L877 WeakPolarHBondContact O-CG 3.28Å; M873-L877 PolarHBondContact O-N 3.16Å; M873-L943 HydrophobicContact CB-CD1 4.33Å
874C88.9Confident84.6Confident6 Ų642.1 Ų42.14%0.04125%0.249CC..Hα-helixtrans-68.1-46.9178.9-161.60000111.8S870 L871 F872 Y876 L877 F878 L943S870-C874 VanDerWaalsContact O-CB 3.3Å; S870-C874 WeakPolarHBondContact O-CB 3.37Å; L871-C874 WeakPolarHBondContact O-CB 3.45Å; L871-C874 PolarHBondContact O-N 2.84Å; L871-C874 VanDerWaalsContact O-N 3.16Å; F872-C874 VanDerWaalsContact C-N 3.27Å; F872-C874 PolarHBondContact O-N 3.19Å; C874-Y876 PolarHBondContact O-N 3.06Å; C874-L877 PolarHBondContact O-N 3.35Å; C874-F878 WeakPolarHBondContact O-CD2 3.33Å; C874-F878 PolarHBondContact O-N 3.39Å; C874-F878 VanDerWaalsContact O-N 3.07Å; C874-F878 VanDerWaalsContact SG-CE2 3.55Å; C874-L943 HydrophobicContact CB-CD1 4.07Å
875A87.8Confident85.5Confident50 Ų5038 Ų3841%0.41322%0.215SC..Hα-helixtrans-63-41.4177.600000112.2L871 F872 F878 L879L871-A875 PolarHBondContact O-N 2.66Å; F872-A875 PolarHBondContact O-N 2.91Å; A875-F878 PolarHBondContact O-N 2.81Å; A875-L879 PolarHBondContact O-N 3.14Å; A875-L879 VanDerWaalsContact O-N 3.1Å
876Y91.3Very high86.1Confident63 Ų6341 Ų4125%0.24723%0.227CC..Hα-helixtrans-64.1-44.5176.2-168.6-104.3000111.8L847 L851 F872 C874 F878 L879 V880L847-Y876 WeakPolarHBondContact O-CE1 3.29Å; L847-Y876 PolarHBondContact O-OH 2.87Å; L851-Y876 HydrophobicContact CD1-CD1 4.05Å; F872-Y876 WeakPolarHBondContact O-CB 3.36Å; F872-Y876 PolarHBondContact O-N 3.07Å; C874-Y876 PolarHBondContact O-N 3.06Å; Y876-F878 VanDerWaalsContact C-N 3.31Å; Y876-F878 PolarHBondContact O-N 3.1Å; Y876-L879 PolarHBondContact O-N 2.95Å; Y876-L879 VanDerWaalsContact O-N 3.15Å; Y876-V880 HydrophobicContact CD1-CG2 4.04Å; Y876-V880 HydrophobicContact CE1-CG2 3.82Å; Y876-V880 WeakPolarHBondContact O-CG2 3.49Å; Y876-V880 PolarHBondContact O-N 3Å
877L90.5Very high86.7Confident0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-62.8-33.5176.1-73.3167000113.1F839 L851 M873 C874 A881 V936 I940 L943F839-L877 HydrophobicContact CE1-CD2 4.12Å; L851-L877 HydrophobicContact CD1-CG 4.47Å; L851-L877 HydrophobicContact CD2-CD2 4.17Å; M873-L877 WeakPolarHBondContact O-CB 3.46Å; M873-L877 WeakPolarHBondContact O-CD1 3.45Å; M873-L877 WeakPolarHBondContact O-CG 3.28Å; M873-L877 PolarHBondContact O-N 3.16Å; C874-L877 PolarHBondContact O-N 3.35Å; L877-A881 WeakPolarHBondContact O-CB 3.31Å; L877-A881 PolarHBondContact O-N 3.48Å; L877-V936 HydrophobicContact CB-CG1 4.13Å; L877-V936 HydrophobicContact CD2-CG1 4.09Å; L877-V936 WeakPolarHBondContact O-CG1 3.46Å; L877-I940 HydrophobicContact CB-CD1 4.29Å; L877-I940 HydrophobicContact CB-CG1 4Å; L877-L943 HydrophobicContact CD1-CD1 3.78Å
878F88.7Confident87.1Confident8 Ų840.3 Ų40.34%0.03521%0.209CC..Hα-helixtrans-67.4-40.7171.4-75.6-59.4000112.9W664 A665 L668 I669 C874 A875 Y876 A881 L882 I940W664-F878 HydrophobicContact CZ3-CE1 4.44Å; A665-F878 HydrophobicContact CB-CD1 3.69Å; A665-F878 HydrophobicContact CB-CE1 3.69Å; L668-F878 HydrophobicContact CB-CZ 3.96Å; I669-F878 HydrophobicContact CD1-CD2 3.84Å; I669-F878 HydrophobicContact CD1-CE2 4.08Å; I669-F878 HydrophobicContact CD1-CG 4.21Å; I669-F878 HydrophobicContact CG1-CD2 3.67Å; I669-F878 HydrophobicContact CG1-CE2 3.42Å; I669-F878 VanDerWaalsContact CG1-CE2 3.42Å; I669-F878 HydrophobicContact CG1-CG 4.44Å; I669-F878 HydrophobicContact CG1-CZ 4.02Å; C874-F878 WeakPolarHBondContact O-CD2 3.33Å; C874-F878 PolarHBondContact O-N 3.39Å; C874-F878 VanDerWaalsContact O-N 3.07Å; C874-F878 VanDerWaalsContact SG-CE2 3.55Å; A875-F878 PolarHBondContact O-N 2.81Å; Y876-F878 VanDerWaalsContact C-N 3.31Å; Y876-F878 PolarHBondContact O-N 3.1Å; F878-A881 PolarHBondContact O-N 2.93Å; F878-L882 WeakPolarHBondContact O-CG 3.36Å; F878-L882 PolarHBondContact O-N 2.94Å; F878-I940 HydrophobicContact CD1-CD1 3.74Å; F878-I940 HydrophobicContact CD1-CG1 4.47Å; F878-I940 HydrophobicContact CE1-CD1 3.78Å; F878-I940 HydrophobicContact CE1-CG1 4.27Å; F878-I940 HydrophobicContact CE1-CG2 3.68Å; F878-I940 HydrophobicContact CE2-CG2 4.37Å; F878-I940 HydrophobicContact CG-CD1 4.36Å; F878-I940 HydrophobicContact CZ-CD1 4.44Å; F878-I940 HydrophobicContact CZ-CG1 4.44Å; F878-I940 HydrophobicContact CZ-CG2 3.51Å
879L88.6Confident86.9Confident116 Ų11636.3 Ų36.361%0.60719%0.189SC*.Hα-helixtrans-64.1-42.8174.6-70.3170.2000111.3A875 Y876 L882 S883A875-L879 PolarHBondContact O-N 3.14Å; A875-L879 VanDerWaalsContact O-N 3.1Å; Y876-L879 PolarHBondContact O-N 2.95Å; Y876-L879 VanDerWaalsContact O-N 3.15Å; L879-L882 PolarHBondContact O-N 3.29Å; L879-S883 WeakPolarHBondContact O-CB 3.29Å; L879-S883 PolarHBondContact O-N 2.65Å; L879-S883 PolarHBondContact O-OG 2.8Å
880V88.8Confident86.4Confident4 Ų440.7 Ų40.72%0.02421%0.214CC..Hα-helixtrans-57.3-49.5172.71680000110.8L847 Y848 Y876 L882 S883 K884 V936L847-V880 HydrophobicContact CD1-CG2 4.17Å; L847-V880 HydrophobicContact CD2-CG1 3.89Å; L847-V880 HydrophobicContact CD2-CG2 4.02Å; L847-V880 HydrophobicContact CG-CG2 4.02Å; Y848-V880 HydrophobicContact CE1-CG1 4.35Å; Y876-V880 HydrophobicContact CD1-CG2 4.04Å; Y876-V880 HydrophobicContact CE1-CG2 3.82Å; Y876-V880 WeakPolarHBondContact O-CG2 3.49Å; Y876-V880 PolarHBondContact O-N 3Å; V880-L882 PolarHBondContact O-N 3.35Å; V880-S883 PolarHBondContact O-N 3.21Å; V880-S883 PolarHBondContact O-OG 3.37Å; V880-K884 HydrophobicContact CG1-CD 4.5Å; V880-K884 WeakPolarHBondContact O-CB 3.28Å; V880-K884 PolarHBondContact O-N 3.36Å; V880-V936 HydrophobicContact CG1-CG2 4.36Å
881A86.9Confident86Confident0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-59.7-45.9178.900000113F661 L877 F878 K884 M885 L933 V936F661-A881 HydrophobicContact CE1-CB 3.98Å; F661-A881 HydrophobicContact CZ-CB 4.01Å; L877-A881 WeakPolarHBondContact O-CB 3.31Å; L877-A881 PolarHBondContact O-N 3.48Å; F878-A881 PolarHBondContact O-N 2.93Å; A881-K884 PolarHBondContact O-N 3.08Å; A881-M885 PolarHBondContact O-N 2.77Å; A881-L933 HydrophobicContact CB-CD2 4.11Å; A881-V936 HydrophobicContact CB-CG1 4.02Å
882L87.1Confident85.4Confident52 Ų5242.3 Ų42.327%0.27222%0.223SC..Hα-helixtrans-66.8-42.5178.7-72.1170.6000112.1F661 F878 L879 V880 K884 M885 I886F661-L882 HydrophobicContact CD1-CD2 3.99Å; F661-L882 HydrophobicContact CE1-CD2 4.31Å; F878-L882 WeakPolarHBondContact O-CG 3.36Å; F878-L882 PolarHBondContact O-N 2.94Å; L879-L882 PolarHBondContact O-N 3.29Å; V880-L882 PolarHBondContact O-N 3.35Å; L882-K884 VanDerWaalsContact C-N 3.32Å; L882-K884 PolarHBondContact O-N 3.06Å; L882-M885 PolarHBondContact O-N 3.44Å; L882-I886 WeakPolarHBondContact O-CB 3.28Å; L882-I886 VanDerWaalsContact O-CG1 3.27Å; L882-I886 WeakPolarHBondContact O-CG1 2.94Å; L882-I886 PolarHBondContact O-N 3.48Å
883S87Confident84.6Confident48 Ų4841 Ų4134%0.33623%0.226SC..Hα-helixtrans-61.2-40.4175.9670000112.1L879 V880 I886 Y887L879-S883 WeakPolarHBondContact O-CB 3.29Å; L879-S883 PolarHBondContact O-N 2.65Å; L879-S883 PolarHBondContact O-OG 2.8Å; V880-S883 PolarHBondContact O-N 3.21Å; V880-S883 PolarHBondContact O-OG 3.37Å; S883-I886 PolarHBondContact O-N 3.12Å; S883-Y887 PolarHBondContact O-N 3.34Å; S883-Y887 VanDerWaalsContact O-N 3.12Å
884K87.5Confident83.5Confident19 Ų1944.6 Ų44.68%0.08324%0.242CC..Hα-helixtrans-64.1-42.6174.3-80.2-167.6167.8-164.40112.5V880 A881 L882 Q888 G919 L920 M932 L933V880-K884 HydrophobicContact CG1-CD 4.5Å; V880-K884 WeakPolarHBondContact O-CB 3.28Å; V880-K884 PolarHBondContact O-N 3.36Å; A881-K884 PolarHBondContact O-N 3.08Å; L882-K884 VanDerWaalsContact C-N 3.32Å; L882-K884 PolarHBondContact O-N 3.06Å; K884-Q888 WeakPolarHBondContact O-CG 2.97Å; K884-G919 WeakPolarHBondContact CE-O 3.48Å; K884-L920 HydrophobicContact CG-CD2 4.2Å; K884-M932 HydrophobicContact CB-CE 3.92Å; K884-M932 HydrophobicContact CB-SD 3.82Å; K884-M932 HydrophobicContact CD-CE 3.83Å; K884-M932 HydrophobicContact CD-CG 4.41Å; K884-M932 HydrophobicContact CD-SD 4.11Å; K884-M932 HydrophobicContact CG-CE 3.81Å; K884-M932 HydrophobicContact CG-SD 4.25Å; K884-L933 HydrophobicContact CB-CD2 4.11Å
885M84.7Confident82.5Confident5 Ų548.3 Ų48.33%0.02526%0.261CS..Hα-helixtrans-67.3-40.1175.9-71.7-165.181.400113.4I658 F661 A881 L882 Y887 Q888 L933I658-M885 HydrophobicContact CG1-CE 4.32Å; F661-M885 HydrophobicContact CB-CE 4.35Å; F661-M885 HydrophobicContact CB-SD 3.84Å; F661-M885 HydrophobicContact CD1-SD 3.51Å; F661-M885 VanDerWaalsContact CD1-SD 3.51Å; F661-M885 HydrophobicContact CD2-SD 3.92Å; F661-M885 HydrophobicContact CE1-SD 3.99Å; F661-M885 HydrophobicContact CE2-SD 4.36Å; F661-M885 HydrophobicContact CG-CE 4.49Å; F661-M885 HydrophobicContact CG-SD 3.47Å; F661-M885 WeakPolarHBondContact CG-SD 3.38Å; F661-M885 HydrophobicContact CZ-SD 4.39Å; A881-M885 PolarHBondContact O-N 2.77Å; L882-M885 PolarHBondContact O-N 3.44Å; M885-Y887 VanDerWaalsContact C-N 3.28Å; M885-Y887 PolarHBondContact O-N 2.82Å; M885-Q888 PolarHBondContact O-N 2.95Å; M885-L933 HydrophobicContact CG-CD1 3.72Å; M885-L933 HydrophobicContact SD-CD1 3.95Å
886I86.5Confident81.4Confident88 Ų8847.8 Ų47.845%0.45126%0.255SS..Hα-helixtrans-65.8-33.8179.8-68.8164.8000111L882 S883 Q888 L889L882-I886 WeakPolarHBondContact O-CB 3.28Å; L882-I886 VanDerWaalsContact O-CG1 3.27Å; L882-I886 WeakPolarHBondContact O-CG1 2.94Å; L882-I886 PolarHBondContact O-N 3.48Å; S883-I886 PolarHBondContact O-N 3.12Å; I886-Q888 VanDerWaalsContact C-N 3.25Å; I886-Q888 PolarHBondContact O-N 3.11Å; I886-L889 WeakPolarHBondContact O-CB 3.26Å; I886-L889 PolarHBondContact O-N 2.85Å
887Y85.6Confident80Confident26 Ų2651.9 Ų51.910%0.10228%0.276CS..Hα-helixtrans-67.8-21.1177.4-163.9-110.2000114S883 M885 L889 V892 L895 L920 K922S883-Y887 PolarHBondContact O-N 3.34Å; S883-Y887 VanDerWaalsContact O-N 3.12Å; M885-Y887 VanDerWaalsContact C-N 3.28Å; M885-Y887 PolarHBondContact O-N 2.82Å; Y887-L889 VanDerWaalsContact C-N 3.31Å; Y887-V892 HydrophobicContact CD2-CG1 3.9Å; Y887-V892 HydrophobicContact CE2-CG1 3.91Å; Y887-L895 HydrophobicContact CE2-CD1 3.84Å; Y887-L920 HydrophobicContact CD1-CB 4.3Å; Y887-L920 HydrophobicContact CE1-CB 4.32Å; Y887-K922 HydrophobicContact CD1-CB 4.39Å; Y887-K922 HydrophobicContact CE1-CB 4Å
888Q84Confident78.6Confident25 Ų2557.2 Ų57.212%0.11730%0.303CS..THydrogen-bonded Turntrans-85.23.5177-56.2-64.5-1.900113.6P653 K884 M885 I886 K921 E923 M932P653-Q888 HydrophobicContact CB-CB 4.46Å; P653-Q888 HydrophobicContact CG-CB 3.87Å; P653-Q888 WeakPolarHBondContact CG-O 3.35Å; K884-Q888 WeakPolarHBondContact O-CG 2.97Å; M885-Q888 PolarHBondContact O-N 2.95Å; I886-Q888 VanDerWaalsContact C-N 3.25Å; I886-Q888 PolarHBondContact O-N 3.11Å; Q888-K921 PolarHBondContact NE2-O 3.18Å; Q888-E923 VanDerWaalsContact OE1-N 3.08Å; Q888-M932 HydrophobicContact CG-SD 4.28Å; Q888-M932 PolarHBondContact NE2-SD 3.46Å
889L79.1Confident76.8Confident17 Ų1764.1 Ų64.19%0.08934%0.34CS..SBendtrans-71.3139.4172.5-77.8163.9000110.9P653 I658 I886 Y887 I891 V892 K922P653-L889 VanDerWaalsContact O-CD2 3.23Å; P653-L889 WeakPolarHBondContact O-CD2 3.47Å; I658-L889 HydrophobicContact CD1-CD1 4Å; I658-L889 HydrophobicContact CD1-CD2 4.02Å; I658-L889 HydrophobicContact CD1-CG 4.02Å; I886-L889 WeakPolarHBondContact O-CB 3.26Å; I886-L889 PolarHBondContact O-N 2.85Å; Y887-L889 VanDerWaalsContact C-N 3.31Å; L889-I891 PolarHBondContact O-N 3.44Å; L889-V892 HydrophobicContact CB-CG2 4.3Å; L889-V892 WeakPolarHBondContact O-CB 3.22Å; L889-V892 PolarHBondContact O-N 3.16Å; L889-K922 PolarHBondContact O-NZ 3.28Å
890D74.6Confident75.2Confident127 Ų12765.3 Ų65.368%0.67934%0.337SS*.THydrogen-bonded Turntrans-61.4-30.5179.4-58.3-35000112.9V892D890-V892 PolarHBondContact O-N 3.32Å; D890-V892 VanDerWaalsContact O-N 3.15Å
891I75.1Confident73.5Confident78 Ų7867.5 Ų67.540%0.436%0.36SS..THydrogen-bonded Turntrans-60.4-21.4175.3-59174.9000112.2F655 W722 A725 L889 P893F655-I891 HydrophobicContact CE2-CD1 4.43Å; W722-I891 HydrophobicContact CD2-CD1 4.1Å; W722-I891 HydrophobicContact CE3-CD1 4.03Å; W722-I891 HydrophobicContact CH2-CD1 4.04Å; W722-I891 HydrophobicContact CZ2-CD1 4.1Å; W722-I891 HydrophobicContact CZ3-CD1 4Å; A725-I891 HydrophobicContact CB-CD1 3.67Å; A725-I891 HydrophobicContact CB-CG1 4.17Å; L889-I891 PolarHBondContact O-N 3.44Å; I891-P893 WeakPolarHBondContact O-CD 3.49Å
892V74.1Confident71.9Confident36 Ų3675.4 Ų75.422%0.21841%0.408CS..SBendtrans-89114.4177.5-175.10000109.6Y887 L889 D890 K922Y887-V892 HydrophobicContact CD2-CG1 3.9Å; Y887-V892 HydrophobicContact CE2-CG1 3.91Å; L889-V892 HydrophobicContact CB-CG2 4.3Å; L889-V892 WeakPolarHBondContact O-CB 3.22Å; L889-V892 PolarHBondContact O-N 3.16Å; D890-V892 PolarHBondContact O-N 3.32Å; D890-V892 VanDerWaalsContact O-N 3.15Å; V892-K922 PolarHBondContact O-NZ 3.37Å
893P70.4Confident70.3Confident87 Ų8775.2 Ų75.257%0.56542%0.419SS*.  trans-67154.7176.829.7-35.6000111.1I891 L895I891-P893 WeakPolarHBondContact O-CD 3.49Å; P893-L895 PolarHBondContact O-N 2.88Å; P893-L895 VanDerWaalsContact O-N 3.11Å
894E66.7Low68.7Low82 Ų8274.3 Ų74.338%0.38341%0.414SS..  trans-75.2101.4-179.1-142.1-157.1143.200110.4S896 Q897 K922E894-S896 WeakPolarHBondContact CG-OG 3.49Å; E894-S896 PolarHBondContact O-N 3.35Å; E894-S896 PolarHBondContact OE1-OG 3.39Å; E894-Q897 HydrophobicContact CB-CG 4.27Å; E894-Q897 PolarHBondContact O-N 3.46Å; E894-Q897 PolarHBondContact OE2-NE2 3.45Å; E894-K922 HydrophobicContact CG-CB 4.3Å
895L67.7Low67.2Low84 Ų8481.1 Ų81.144%0.4445%0.451SS..G310 helixtrans-64.4-11.6-177-79.899.6000114.2Y887 P893 Q897 I898 P915Y887-L895 HydrophobicContact CE2-CD1 3.84Å; P893-L895 PolarHBondContact O-N 2.88Å; P893-L895 VanDerWaalsContact O-N 3.11Å; L895-Q897 PolarHBondContact O-N 3.16Å; L895-I898 HydrophobicContact CG-CD1 4.14Å; L895-P915 HydrophobicContact CB-CG 3.83Å
896S63.9Low65.9Low39 Ų3988.3 Ų88.327%0.27349%0.49SS..G310 helixtrans-63.2-23.7169.652.20000113.6E894E894-S896 WeakPolarHBondContact CG-OG 3.49Å; E894-S896 PolarHBondContact O-N 3.35Å; E894-S896 PolarHBondContact OE1-OG 3.39Å
897Q63.4Low64.7Low149 Ų14986 Ų8670%0.69648%0.481SS*.G310 helixtrans-95.7-5-175.7-56.8-173.521.800113.7E894 L895 D899E894-Q897 HydrophobicContact CB-CG 4.27Å; E894-Q897 PolarHBondContact O-N 3.46Å; E894-Q897 PolarHBondContact OE2-NE2 3.45Å; L895-Q897 PolarHBondContact O-N 3.16Å; Q897-D899 PolarHBondContact O-N 3Å
898I59.6Low63.4Low111 Ų11189.7 Ų89.757%0.56951%0.511SS*.SBendtrans-8897.8-172.2-57.1-179.2000110.6L895L895-I898 HydrophobicContact CG-CD1 4.14Å
899D52.8Low62.2Low153 Ų15391.6 Ų91.682%0.81852%0.52SS*.  trans4083.7166.7-100.9-10.9000116.5Q897 G901Q897-D899 PolarHBondContact O-N 3Å; D899-G901 PolarHBondContact O-N 3.39Å; D899-G901 VanDerWaalsContact O-N 3.09Å
900R54.2Low61.3Low142 Ų14292.9 Ų92.954%0.53654%0.536SS..  trans-62.3107.2152.9-70.2179.8177174.3-2.3108A904R900-A904 HydrophobicContact CB-CB 3.96Å
901G53.9Low60.6Low49 Ų4993.1 Ų93.151%0.50554%0.538SS..  trans-57.7161.1-175.900000114D899 G903 A904D899-G901 PolarHBondContact O-N 3.39Å; D899-G901 VanDerWaalsContact O-N 3.09Å; G901-G903 PolarHBondContact O-N 3Å; G901-A904 PolarHBondContact O-N 3.03Å
902V52.1Low60.2Low166 Ų16692.8 Ų92.8100%1.00654%0.536SS*.THydrogen-bonded Turntrans-69.336.6-165.7-153.40000115.6
903G54.1Low60Low49 Ų4991.7 Ų91.751%0.50553%0.53SS..THydrogen-bonded Turntrans-136.7-4.1166.900000113.9G901 D905G901-G903 PolarHBondContact O-N 3Å; G903-D905 VanDerWaalsContact C-N 3.31Å; G903-D905 PolarHBondContact O-N 2.71Å
904A53.3Low60.3Low28 Ų2892.2 Ų92.223%0.23153%0.526CS..G310 helixtrans-66.8-25.2-173.200000114.6R900 G901 N906 C907R900-A904 HydrophobicContact CB-CB 3.96Å; G901-A904 PolarHBondContact O-N 3.03Å; A904-N906 PolarHBondContact O-N 3.44Å; A904-C907 VanDerWaalsContact O-CB 3.27Å; A904-C907 WeakPolarHBondContact O-CB 3.33Å; A904-C907 PolarHBondContact O-N 3.33Å
905D56.4Low60.8Low163 Ų16389.5 Ų89.587%0.87252%0.516SS*.G310 helixtrans-64.8-23.3-175.4-63.1-28000113.9G903 C907G903-D905 VanDerWaalsContact C-N 3.31Å; G903-D905 PolarHBondContact O-N 2.71Å; D905-C907 VanDerWaalsContact C-N 3.31Å
906N56.9Low61.3Low156 Ų15688.3 Ų88.383%0.83451%0.508SS*.G310 helixtrans-82.9-6.2173.5-79.2-19000113.2A904 S908A904-N906 PolarHBondContact O-N 3.44Å; N906-S908 PolarHBondContact O-N 3.23Å
907C60.8Low62.1Low39 Ų3989.4 Ų89.426%0.26451%0.506SS..  trans-92.583.6-173.5-48.70000110.6A904 D905 H909 C1067A904-C907 VanDerWaalsContact O-CB 3.27Å; A904-C907 WeakPolarHBondContact O-CB 3.33Å; A904-C907 PolarHBondContact O-N 3.33Å; D905-C907 VanDerWaalsContact C-N 3.31Å; C907-H909 PolarHBondContact O-N 2.68Å; C907-C1067 HydrophobicContact CB-CB 4.09Å; C907-C1067 WeakPolarHBondContact CB-SG 3.02Å; C907-C1067 WeakPolarHBondContact SG-CB 3.49Å; C907-C1067 CovalentContact SG-SG 2.04Å; C907-C1067 PolarHBondContact SG-SG 3.18Å
908S59.3Low63.1Low103 Ų10386.7 Ų86.772%0.7249%0.492SS*.  trans-62.4-1.517855.30000115.4N906 G910N906-S908 PolarHBondContact O-N 3.23Å; S908-G910 VanDerWaalsContact C-N 3.33Å; S908-G910 PolarHBondContact O-N 3.45Å; S908-G910 VanDerWaalsContact O-N 3.14Å
909H59.1Low64.1Low66 Ų6681.6 Ų81.631%0.30647%0.467SS..SBendtrans-93.343-159.7-61.7-42.3000114.4C907 E1069 Y1096C907-H909 PolarHBondContact O-N 2.68Å; H909-E1069 IonicContact CD2-OE1 2.82Å; H909-E1069 IonicContact CE1-OE1 3.68Å; H909-E1069 IonicContact NE2-OE1 2.8Å; H909-E1069 PolarHBondContact NE2-OE1 2.85Å; H909-Y1096 HydrophobicContact CB-CD2 4Å; H909-Y1096 HydrophobicContact CB-CG 3.99Å
910G58.6Low65.5Low43 Ų4376.1 Ų76.144%0.44344%0.438SS..  trans99.6154.4166.800000116.1S908S908-G910 VanDerWaalsContact C-N 3.33Å; S908-G910 PolarHBondContact O-N 3.45Å; S908-G910 VanDerWaalsContact O-N 3.14Å
911N61.4Low66.6Low133 Ų13373.9 Ų73.971%0.71143%0.432SS*.  trans-90.52.5-172.8-83.3-35.2000115.4S913N911-S913 PolarHBondContact O-N 2.78Å
912I66.1Low67.6Low70 Ų7073.9 Ų73.936%0.35942%0.418SS..  trans-73.5116.4-170.3-56.8172000110.1E916 W917 P1064I912-E916 HydrophobicContact CG2-CB 3.98Å; I912-E916 HydrophobicContact CG2-CG 4.06Å; I912-W917 HydrophobicContact CG2-CB 4.38Å; I912-P1064 HydrophobicContact CB-CG 4.16Å; I912-P1064 VanDerWaalsContact O-CG 3.24Å; I912-P1064 WeakPolarHBondContact O-CG 3.43Å
913S69.7Low68.5Low13 Ų1369.7 Ų69.79%0.09139%0.387CS..  trans-77.4158.4-179.663.30000113.3N911 E916 W917 D1065N911-S913 PolarHBondContact O-N 2.78Å; S913-E916 WeakPolarHBondContact O-CA 3.43Å; S913-E916 WeakPolarHBondContact O-CB 3.19Å; S913-E916 PolarHBondContact O-N 2.82Å; S913-W917 PolarHBondContact O-N 3.41Å; S913-D1065 WeakPolarHBondContact CA-OD2 3.37Å
914M76.2Confident69.1Low98 Ų9872.9 Ų72.948%0.48340%0.397SS..Hα-helixtrans-51.9-41.3178.1-172.674167.800113.9E916 W917 F918 P1063 D1065M914-E916 VanDerWaalsContact C-N 3.35Å; M914-W917 HydrophobicContact SD-CE3 4.43Å; M914-F918 PolarHBondContact O-N 2.79Å; M914-F918 VanDerWaalsContact O-N 3.13Å; M914-P1063 HydrophobicContact SD-CB 3.79Å; M914-P1063 HydrophobicContact SD-CG 4.33Å; M914-D1065 WeakPolarHBondContact CB-OD2 3.35Å; M914-D1065 PolarHBondContact N-OD2 2.96Å
915P78.5Confident69.2Low26 Ų2680.8 Ų80.817%0.16943%0.429CS..Hα-helixtrans-63.2-37.2171.4-22.534.8000113.3L895 F918 G919 L920L895-P915 HydrophobicContact CB-CG 3.83Å; P915-F918 PolarHBondContact O-N 2.97Å; P915-G919 PolarHBondContact O-N 2.69Å; P915-L920 CarbonylContact C-O 3.53Å; P915-L920 WeakPolarHBondContact CB-O 3.48Å; P915-L920 PolarHBondContact O-N 3.16Å
916E76.8Confident69.3Low59 Ų5977 Ų7728%0.27643%0.428SS..Hα-helixtrans-73.2-41.5-178.2-168.7168.3-142.900112I912 S913 M914 F918 G919 K921I912-E916 HydrophobicContact CG2-CB 3.98Å; I912-E916 HydrophobicContact CG2-CG 4.06Å; S913-E916 WeakPolarHBondContact O-CA 3.43Å; S913-E916 WeakPolarHBondContact O-CB 3.19Å; S913-E916 PolarHBondContact O-N 2.82Å; M914-E916 VanDerWaalsContact C-N 3.35Å; E916-F918 VanDerWaalsContact C-N 3.27Å; E916-F918 PolarHBondContact O-N 3.02Å; E916-G919 WeakPolarHBondContact O-CA 3.31Å; E916-G919 PolarHBondContact O-N 2.87Å; E916-G919 VanDerWaalsContact O-N 3.08Å; E916-K921 WeakPolarHBondContact OE1-CD 3.4Å; E916-K921 WeakPolarHBondContact OE1-CE 3.39Å; E916-K921 IonicContact OE1-NZ 3.91Å; E916-K921 PolarHBondContact OE1-NZ 2.99Å
917W81.5Confident69.6Low61 Ų6173.2 Ų73.223%0.23141%0.411CS..Hα-helixtrans-57.3-40.4169.2176.784.8000111.8A846 I912 S913 M914 V1060 P1063A846-W917 HydrophobicContact CB-CD2 4.37Å; A846-W917 HydrophobicContact CB-CE3 4.1Å; A846-W917 HydrophobicContact CB-CH2 3.8Å; A846-W917 HydrophobicContact CB-CZ2 4.08Å; A846-W917 HydrophobicContact CB-CZ3 3.82Å; A846-W917 PolarHBondContact N-O 3Å; I912-W917 HydrophobicContact CG2-CB 4.38Å; S913-W917 PolarHBondContact O-N 3.41Å; M914-W917 HydrophobicContact SD-CE3 4.43Å; W917-V1060 HydrophobicContact CZ2-CG1 3.95Å; W917-V1060 PolarHBondContact NE1-O 3.16Å; W917-V1060 VanDerWaalsContact NE1-O 3.09Å; W917-P1063 HydrophobicContact CD2-CB 4.04Å; W917-P1063 HydrophobicContact CE3-CB 4.32Å; W917-P1063 HydrophobicContact CG-CB 4.3Å
918F85Confident70Confident92 Ų9275.1 Ų75.140%0.40442%0.416SS..Hα-helixtrans-66.9-40.6173.9-165.7-106.2000112A846 L847 M914 P915 E916 L920A846-F918 HydrophobicContact CB-CD2 4.34Å; L847-F918 WeakPolarHBondContact CB-O 3.39Å; L847-F918 HydrophobicContact CD1-CE1 3.94Å; L847-F918 HydrophobicContact CD1-CZ 4.14Å; L847-F918 PolarHBondContact N-O 3.41Å; M914-F918 PolarHBondContact O-N 2.79Å; M914-F918 VanDerWaalsContact O-N 3.13Å; P915-F918 PolarHBondContact O-N 2.97Å; E916-F918 VanDerWaalsContact C-N 3.27Å; E916-F918 PolarHBondContact O-N 3.02Å; F918-L920 HydrophobicContact CD1-CD1 4.04Å; F918-L920 HydrophobicContact CD1-CG 4.17Å; F918-L920 HydrophobicContact CE1-CD1 4.39Å
919G80.2Confident70.7Confident5 Ų571.1 Ų71.15%0.05239%0.388CS..THydrogen-bonded Turntrans118.420177.600000115.3N845 K884 P915 E916N845-G919 WeakPolarHBondContact ND2-CA 3.31Å; K884-G919 WeakPolarHBondContact CE-O 3.48Å; P915-G919 PolarHBondContact O-N 2.69Å; E916-G919 WeakPolarHBondContact O-CA 3.31Å; E916-G919 PolarHBondContact O-N 2.87Å; E916-G919 VanDerWaalsContact O-N 3.08Å
920L81.4Confident71.6Confident37 Ų3770.4 Ų70.419%0.19439%0.386CS..  trans-109.3104.5174.8-65.5174.8000109.6K884 Y887 P915 F918K884-L920 HydrophobicContact CG-CD2 4.2Å; Y887-L920 HydrophobicContact CD1-CB 4.3Å; Y887-L920 HydrophobicContact CE1-CB 4.32Å; P915-L920 CarbonylContact C-O 3.53Å; P915-L920 WeakPolarHBondContact CB-O 3.48Å; P915-L920 PolarHBondContact O-N 3.16Å; F918-L920 HydrophobicContact CD1-CD1 4.04Å; F918-L920 HydrophobicContact CD1-CG 4.17Å; F918-L920 HydrophobicContact CE1-CD1 4.39Å
921K76.9Confident72.7Confident96 Ų9676.7 Ų76.742%0.41740%0.397SS..  trans-118.3133.8177.8-176.2168.5-170.7148.40109.1Q888 E916 M932Q888-K921 PolarHBondContact NE2-O 3.18Å; E916-K921 WeakPolarHBondContact OE1-CD 3.4Å; E916-K921 WeakPolarHBondContact OE1-CE 3.39Å; E916-K921 IonicContact OE1-NZ 3.91Å; E916-K921 PolarHBondContact OE1-NZ 2.99Å; K921-M932 VanDerWaalsContact O-CE 3.26Å; K921-M932 WeakPolarHBondContact O-CE 3.48Å
922K76.7Confident73.5Confident48 Ų4872 Ų7221%0.20937%0.371CS..PPolyproline II helixtrans-83.8126.2168.1-155.1167.6-178.3168.60106Y887 L889 V892 E894Y887-K922 HydrophobicContact CD1-CB 4.39Å; Y887-K922 HydrophobicContact CE1-CB 4Å; L889-K922 PolarHBondContact O-NZ 3.28Å; V892-K922 PolarHBondContact O-NZ 3.37Å; E894-K922 HydrophobicContact CG-CB 4.3Å
923E70.6Confident74.4Confident78 Ų7868.7 Ų68.736%0.36436%0.355SS..PPolyproline II helixtrans-87.3155.4-176.2-69.1-68.1175.400110.7Q888 T927Q888-E923 VanDerWaalsContact OE1-N 3.08Å; E923-T927 VanDerWaalsContact CB-OG1 3.3Å; E923-T927 WeakPolarHBondContact CB-OG1 3.34Å
924V65Low75.1Confident117 Ų11774.4 Ų74.471%0.70938%0.378SS*.PPolyproline II helixtrans-64.7142.6-179.7-171.30000110.3G926 T927V924-G926 PolarHBondContact O-N 2.7Å; V924-T927 PolarHBondContact O-N 3.46Å; V924-T927 PolarHBondContact O-OG1 2.95Å
925E57.1Low75.5Confident194 Ų19470.9 Ų70.991%0.90737%0.366SS*.THydrogen-bonded Turntrans-45.8124.7177.3-64.8-175.1153.100111.7
926G58Low75.9Confident83 Ų8369.7 Ų69.786%0.85636%0.359SS*.THydrogen-bonded Turntrans106.5-8.417700000116.3V924V924-G926 PolarHBondContact O-N 2.7Å
927T62.7Low76.4Confident77 Ų7767.4 Ų67.447%0.47235%0.348SS..  trans-81.9132.9172.661.20000112.2E923 V924E923-T927 VanDerWaalsContact CB-OG1 3.3Å; E923-T927 WeakPolarHBondContact CB-OG1 3.34Å; V924-T927 PolarHBondContact O-N 3.46Å; V924-T927 PolarHBondContact O-OG1 2.95Å
928E69Low76.6Confident78 Ų7867.1 Ų67.136%0.36435%0.353SS..  trans-71.9134.4177.7-73.7-178.4-134.100111.8C650 I930 Y931C650-E928 WeakPolarHBondContact CA-OE2 3.01Å; C650-E928 WeakPolarHBondContact CB-OE2 3.42Å; C650-E928 PolarHBondContact SG-OE2 3.12Å; E928-I930 HydrophobicContact CB-CG2 3.75Å; E928-I930 PolarHBondContact O-N 2.87Å; E928-Y931 HydrophobicContact CB-CD2 4.05Å; E928-Y931 HydrophobicContact CB-CE2 4.09Å; E928-Y931 WeakPolarHBondContact O-CD2 3.3Å; E928-Y931 PolarHBondContact O-N 3.12Å; E928-Y931 VanDerWaalsContact O-N 3.11Å
929P74.5Confident76.8Confident20 Ų2062.9 Ų62.913%0.1334%0.335CS..Hα-helixtrans-52-22.4176-30.335.3000115.6T649 Y931 M932 L933T649-P929 WeakPolarHBondContact O-CD 3.38Å; P929-Y931 VanDerWaalsContact C-N 3.27Å; P929-Y931 PolarHBondContact O-N 3.19Å; P929-M932 PolarHBondContact O-N 2.75Å; P929-L933 WeakPolarHBondContact O-CG 3.34Å; P929-L933 PolarHBondContact O-N 2.98Å
930I78.9Confident77.1Confident50 Ų5062.7 Ų62.726%0.25633%0.332SS..Hα-helixtrans-56.8-35.8176.8-162170.1000113.3T649 E928 F934T649-I930 PolarHBondContact O-N 2.86Å; E928-I930 HydrophobicContact CB-CG2 3.75Å; E928-I930 PolarHBondContact O-N 2.87Å; I930-F934 WeakPolarHBondContact O-CA 3.48Å; I930-F934 WeakPolarHBondContact O-CB 3.41Å; I930-F934 PolarHBondContact O-N 2.98Å
931Y80.1Confident77.4Confident176 Ų17665 Ų6569%0.6934%0.344SS*.Hα-helixtrans-70.4-47.9-178.4-66.3-76.4000111.5E928 P929 L933 F934E928-Y931 HydrophobicContact CB-CD2 4.05Å; E928-Y931 HydrophobicContact CB-CE2 4.09Å; E928-Y931 WeakPolarHBondContact O-CD2 3.3Å; E928-Y931 PolarHBondContact O-N 3.12Å; E928-Y931 VanDerWaalsContact O-N 3.11Å; P929-Y931 VanDerWaalsContact C-N 3.27Å; P929-Y931 PolarHBondContact O-N 3.19Å; Y931-L933 PolarHBondContact O-N 3.27Å; Y931-F934 PolarHBondContact O-N 3.19Å
932M79.6Confident77.9Confident34 Ų3461 Ų6117%0.16733%0.33CS..Hα-helixtrans-59.5-30.2177.8-163.9-149.5-164.600112.8K884 Q888 K921 P929K884-M932 HydrophobicContact CB-CE 3.92Å; K884-M932 HydrophobicContact CB-SD 3.82Å; K884-M932 HydrophobicContact CD-CE 3.83Å; K884-M932 HydrophobicContact CD-CG 4.41Å; K884-M932 HydrophobicContact CD-SD 4.11Å; K884-M932 HydrophobicContact CG-CE 3.81Å; K884-M932 HydrophobicContact CG-SD 4.25Å; Q888-M932 HydrophobicContact CG-SD 4.28Å; Q888-M932 PolarHBondContact NE2-SD 3.46Å; K921-M932 VanDerWaalsContact O-CE 3.26Å; K921-M932 WeakPolarHBondContact O-CE 3.48Å; P929-M932 PolarHBondContact O-N 2.75Å
933L83.5Confident78.5Confident1 Ų158.9 Ų58.91%0.00532%0.32CS..Hα-helixtrans-99.5-9.4-176.6-64.2174.4000114.2F661 A881 K884 M885 P929 Y931 G935 V936 I937F661-L933 HydrophobicContact CE2-CD1 4.35Å; F661-L933 HydrophobicContact CZ-CD1 4.39Å; A881-L933 HydrophobicContact CB-CD2 4.11Å; K884-L933 HydrophobicContact CB-CD2 4.11Å; M885-L933 HydrophobicContact CG-CD1 3.72Å; M885-L933 HydrophobicContact SD-CD1 3.95Å; P929-L933 WeakPolarHBondContact O-CG 3.34Å; P929-L933 PolarHBondContact O-N 2.98Å; Y931-L933 PolarHBondContact O-N 3.27Å; L933-G935 PolarHBondContact O-N 3.27Å; L933-V936 WeakPolarHBondContact O-CA 3.29Å; L933-V936 WeakPolarHBondContact O-CB 3.48Å; L933-V936 PolarHBondContact O-N 2.9Å; L933-I937 HydrophobicContact CB-CD1 3.65Å; L933-I937 HydrophobicContact CB-CG1 4.13Å; L933-I937 WeakPolarHBondContact O-CG1 3.47Å; L933-I937 PolarHBondContact O-N 3.03Å
934F85.8Confident79.1Confident133 Ų13355.7 Ų55.758%0.58331%0.307SS*.Hα-helixtrans-53.3-52.8-166.3-177.1-102.6000113.8I930 Y931 V936 I937 V938I930-F934 WeakPolarHBondContact O-CA 3.48Å; I930-F934 WeakPolarHBondContact O-CB 3.41Å; I930-F934 PolarHBondContact O-N 2.98Å; Y931-F934 PolarHBondContact O-N 3.19Å; F934-V936 VanDerWaalsContact C-N 3.28Å; F934-V936 PolarHBondContact O-N 2.88Å; F934-I937 PolarHBondContact O-N 3.1Å; F934-V938 HydrophobicContact CD1-CG2 4.32Å; F934-V938 HydrophobicContact CE1-CG2 3.96Å; F934-V938 HydrophobicContact CE2-CG2 4.15Å; F934-V938 HydrophobicContact CZ-CG2 3.86Å; F934-V938 WeakPolarHBondContact O-CG2 3.31Å; F934-V938 PolarHBondContact O-N 3.34Å
935G83.2Confident80.1Confident23 Ų2353.5 Ų53.524%0.23729%0.288CS..Hα-helixtrans-64.3-30.4179.800000113.9L933 S939L933-G935 PolarHBondContact O-N 3.27Å; G935-S939 WeakPolarHBondContact O-CB 3.49Å; G935-S939 PolarHBondContact O-N 3.48Å; G935-S939 PolarHBondContact O-OG 3.08Å
936V87.1Confident81.6Confident1 Ų144.7 Ų44.71%0.00625%0.247CC..Hα-helixtrans-72.7-45.5175.5-177.70000110.2F839 L877 V880 A881 L933 F934 S939 I940F839-V936 HydrophobicContact CE1-CG2 4.41Å; F839-V936 HydrophobicContact CE2-CG2 4.25Å; F839-V936 HydrophobicContact CZ-CG2 3.64Å; L877-V936 HydrophobicContact CB-CG1 4.13Å; L877-V936 HydrophobicContact CD2-CG1 4.09Å; L877-V936 WeakPolarHBondContact O-CG1 3.46Å; V880-V936 HydrophobicContact CG1-CG2 4.36Å; A881-V936 HydrophobicContact CB-CG1 4.02Å; L933-V936 WeakPolarHBondContact O-CA 3.29Å; L933-V936 WeakPolarHBondContact O-CB 3.48Å; L933-V936 PolarHBondContact O-N 2.9Å; F934-V936 VanDerWaalsContact C-N 3.28Å; F934-V936 PolarHBondContact O-N 2.88Å; V936-S939 PolarHBondContact O-N 3.41Å; V936-I940 HydrophobicContact CG1-CD1 3.86Å; V936-I940 WeakPolarHBondContact O-CB 3.43Å; V936-I940 WeakPolarHBondContact O-CD1 3.45Å; V936-I940 VanDerWaalsContact O-CG1 3.29Å; V936-I940 WeakPolarHBondContact O-CG1 3.39Å; V936-I940 PolarHBondContact O-N 3.49Å
937I87Confident82.8Confident12 Ų1241.3 Ų41.36%0.06221%0.21CC..Hα-helixtrans-60.6-46.2175.7-69.1166.8000110.9L645 W664 L933 F934 S939 I940 I941L645-I937 HydrophobicContact CD1-CD1 4.41Å; L645-I937 HydrophobicContact CD2-CG2 4.24Å; W664-I937 HydrophobicContact CH2-CG2 4.26Å; L933-I937 HydrophobicContact CB-CD1 3.65Å; L933-I937 HydrophobicContact CB-CG1 4.13Å; L933-I937 WeakPolarHBondContact O-CG1 3.47Å; L933-I937 PolarHBondContact O-N 3.03Å; F934-I937 PolarHBondContact O-N 3.1Å; I937-S939 VanDerWaalsContact C-N 3.35Å; I937-S939 PolarHBondContact O-N 2.89Å; I937-I940 PolarHBondContact O-N 2.94Å; I937-I941 HydrophobicContact CG2-CD1 3.75Å; I937-I941 HydrophobicContact CG2-CG1 4.47Å; I937-I941 WeakPolarHBondContact O-CB 3.05Å; I937-I941 VanDerWaalsContact O-CG1 3.3Å; I937-I941 WeakPolarHBondContact O-CG1 3.47Å; I937-I941 PolarHBondContact O-N 3.36Å
938V87.3Confident83.8Confident55 Ų5540.2 Ų40.233%0.33320%0.201SC..Hα-helixtrans-60.7-43.5176.2169.90000111.2I835 F934 I941 A942I835-V938 HydrophobicContact CG2-CG1 4.35Å; F934-V938 HydrophobicContact CD1-CG2 4.32Å; F934-V938 HydrophobicContact CE1-CG2 3.96Å; F934-V938 HydrophobicContact CE2-CG2 4.15Å; F934-V938 HydrophobicContact CZ-CG2 3.86Å; F934-V938 WeakPolarHBondContact O-CG2 3.31Å; F934-V938 PolarHBondContact O-N 3.34Å; V938-I941 PolarHBondContact O-N 2.88Å; V938-A942 WeakPolarHBondContact O-CB 3.31Å; V938-A942 PolarHBondContact O-N 3.4Å
939S87.8Confident84.6Confident2 Ų236.5 Ų36.51%0.01418%0.184CC..Hα-helixtrans-63.7-41.6177-62.10000112.4G935 V936 I937 A942 L943G935-S939 WeakPolarHBondContact O-CB 3.49Å; G935-S939 PolarHBondContact O-N 3.48Å; G935-S939 PolarHBondContact O-OG 3.08Å; V936-S939 PolarHBondContact O-N 3.41Å; I937-S939 VanDerWaalsContact C-N 3.35Å; I937-S939 PolarHBondContact O-N 2.89Å; S939-A942 PolarHBondContact O-N 2.65Å; S939-L943 WeakPolarHBondContact O-CB 3.31Å; S939-L943 WeakPolarHBondContact O-CD1 3.5Å; S939-L943 VanDerWaalsContact O-CG 3.31Å; S939-L943 WeakPolarHBondContact O-CG 3.44Å; S939-L943 PolarHBondContact O-N 3.31Å
940I87.6Confident84.9Confident1 Ų138.7 Ų38.71%0.00519%0.194CC..Hα-helixtrans-62.4-45.4174.1-72.4162.8000111W664 L668 L877 F878 V936 I937 A942 L943 A944W664-I940 HydrophobicContact CH2-CG2 4.3Å; L668-I940 HydrophobicContact CD1-CG2 3.88Å; L877-I940 HydrophobicContact CB-CD1 4.29Å; L877-I940 HydrophobicContact CB-CG1 4Å; F878-I940 HydrophobicContact CD1-CD1 3.74Å; F878-I940 HydrophobicContact CD1-CG1 4.47Å; F878-I940 HydrophobicContact CE1-CD1 3.78Å; F878-I940 HydrophobicContact CE1-CG1 4.27Å; F878-I940 HydrophobicContact CE1-CG2 3.68Å; F878-I940 HydrophobicContact CE2-CG2 4.37Å; F878-I940 HydrophobicContact CG-CD1 4.36Å; F878-I940 HydrophobicContact CZ-CD1 4.44Å; F878-I940 HydrophobicContact CZ-CG1 4.44Å; F878-I940 HydrophobicContact CZ-CG2 3.51Å; V936-I940 HydrophobicContact CG1-CD1 3.86Å; V936-I940 WeakPolarHBondContact O-CB 3.43Å; V936-I940 WeakPolarHBondContact O-CD1 3.45Å; V936-I940 VanDerWaalsContact O-CG1 3.29Å; V936-I940 WeakPolarHBondContact O-CG1 3.39Å; V936-I940 PolarHBondContact O-N 3.49Å; I937-I940 PolarHBondContact O-N 2.94Å; I940-A942 PolarHBondContact O-N 2.9Å; I940-L943 PolarHBondContact O-N 3.37Å; I940-A944 WeakPolarHBondContact O-CB 3.43Å; I940-A944 PolarHBondContact O-N 2.92Å
941I87Confident85Confident86 Ų8640.7 Ų40.744%0.44120%0.199SC..Hα-helixtrans-63.9-40.6178.1-70.2169000110.9I937 V938 A944 F945I937-I941 HydrophobicContact CG2-CD1 3.75Å; I937-I941 HydrophobicContact CG2-CG1 4.47Å; I937-I941 WeakPolarHBondContact O-CB 3.05Å; I937-I941 VanDerWaalsContact O-CG1 3.3Å; I937-I941 WeakPolarHBondContact O-CG1 3.47Å; I937-I941 PolarHBondContact O-N 3.36Å; V938-I941 PolarHBondContact O-N 2.88Å; I941-A944 PolarHBondContact O-N 3.24Å; I941-F945 WeakPolarHBondContact O-CB 3.5Å; I941-F945 PolarHBondContact O-N 3.43Å
942A87.7Confident85.1Confident13 Ų1335.6 Ų35.611%0.10718%0.178CC..Hα-helixtrans-63.4-43.417500000111.9V832 I835 V938 S939 I940 A944 F945 Q946V832-A942 HydrophobicContact CG2-CB 4.26Å; I835-A942 HydrophobicContact CD1-CB 4.03Å; V938-A942 WeakPolarHBondContact O-CB 3.31Å; V938-A942 PolarHBondContact O-N 3.4Å; S939-A942 PolarHBondContact O-N 2.65Å; I940-A942 PolarHBondContact O-N 2.9Å; A942-A944 VanDerWaalsContact C-N 3.32Å; A942-A944 PolarHBondContact O-N 3.38Å; A942-F945 PolarHBondContact O-N 2.89Å; A942-Q946 WeakPolarHBondContact O-CB 3.3Å; A942-Q946 PolarHBondContact O-N 3.49Å
943L88.3Confident85.3Confident2 Ų234.3 Ų34.31%0.0117%0.172CC..Hα-helixtrans-66.4-29.4175.4-75.5165.4000113.3K672 V832 I836 M873 C874 L877 S939 I940K672-L943 WeakPolarHBondContact CD-O 3.34Å; K672-L943 PolarHBondContact NZ-O 3.23Å; V832-L943 HydrophobicContact CG1-CD2 3.75Å; V832-L943 HydrophobicContact CG1-CG 4.16Å; I836-L943 HydrophobicContact CD1-CD1 4.44Å; I836-L943 HydrophobicContact CD1-CD2 4.45Å; M873-L943 HydrophobicContact CB-CD1 4.33Å; C874-L943 HydrophobicContact CB-CD1 4.07Å; L877-L943 HydrophobicContact CD1-CD1 3.78Å; S939-L943 WeakPolarHBondContact O-CB 3.31Å; S939-L943 WeakPolarHBondContact O-CD1 3.5Å; S939-L943 VanDerWaalsContact O-CG 3.31Å; S939-L943 WeakPolarHBondContact O-CG 3.44Å; S939-L943 PolarHBondContact O-N 3.31Å; I940-L943 PolarHBondContact O-N 3.37Å
944A84Confident85.2Confident11 Ų1141.2 Ų41.29%0.09120%0.198CC..Hα-helixtrans-75.4-44.117100000111.6I940 I941 A942 Q946 S947 I948I940-A944 WeakPolarHBondContact O-CB 3.43Å; I940-A944 PolarHBondContact O-N 2.92Å; I941-A944 PolarHBondContact O-N 3.24Å; A942-A944 VanDerWaalsContact C-N 3.32Å; A942-A944 PolarHBondContact O-N 3.38Å; A944-Q946 VanDerWaalsContact C-N 3.3Å; A944-Q946 PolarHBondContact O-N 3.22Å; A944-S947 PolarHBondContact O-N 3.44Å; A944-S947 PolarHBondContact O-OG 3.24Å; A944-I948 PolarHBondContact O-N 3.37Å; A944-I948 VanDerWaalsContact O-N 3.11Å
945F86.6Confident84.8Confident71 Ų7140.1 Ų40.131%0.31119%0.194SC..Hα-helixtrans-61.8-37.8177.5-174.5-109.3000112.1W821 F824 I828 I941 A942 S947 I948 V949W821-F945 HydrophobicContact CH2-CE2 4.26Å; W821-F945 HydrophobicContact CH2-CZ 4.46Å; W821-F945 HydrophobicContact CZ3-CE2 4.31Å; W821-F945 HydrophobicContact CZ3-CZ 4.21Å; F824-F945 HydrophobicContact CD2-CE1 4.38Å; F824-F945 HydrophobicContact CD2-CZ 4.35Å; F824-F945 HydrophobicContact CE2-CE1 4.31Å; F824-F945 HydrophobicContact CE2-CZ 4.2Å; F824-F945 HydrophobicContact CZ-CE1 4.4Å; I828-F945 HydrophobicContact CD1-CD1 3.95Å; I828-F945 HydrophobicContact CD1-CE1 4.26Å; I941-F945 WeakPolarHBondContact O-CB 3.5Å; I941-F945 PolarHBondContact O-N 3.43Å; A942-F945 PolarHBondContact O-N 2.89Å; F945-S947 VanDerWaalsContact C-N 3.28Å; F945-S947 PolarHBondContact O-N 3.03Å; F945-I948 PolarHBondContact O-N 3.13Å; F945-I948 VanDerWaalsContact O-N 3.1Å; F945-V949 HydrophobicContact CD1-CG2 3.98Å; F945-V949 HydrophobicContact CE1-CG2 3.61Å; F945-V949 HydrophobicContact CE2-CG2 4.36Å; F945-V949 HydrophobicContact CG-CG2 4.49Å; F945-V949 HydrophobicContact CZ-CG2 3.82Å; F945-V949 WeakPolarHBondContact O-CG2 3.46Å; F945-V949 PolarHBondContact O-N 2.9Å
946Q88.1Confident84.6Confident9 Ų942.3 Ų42.34%0.04220%0.196CC..Hα-helixtrans-50.8-44.9170.5-170.6-164.718.200112.4I828 V832 S870 A942 A944 I950I828-Q946 HydrophobicContact CG1-CB 4.2Å; I828-Q946 HydrophobicContact CG1-CG 4.23Å; I828-Q946 HydrophobicContact CG2-CG 4.41Å; V832-Q946 HydrophobicContact CG2-CB 4.23Å; S870-Q946 VanDerWaalsContact CB-OE1 3.29Å; S870-Q946 PolarHBondContact OG-OE1 3.37Å; A942-Q946 WeakPolarHBondContact O-CB 3.3Å; A942-Q946 PolarHBondContact O-N 3.49Å; A944-Q946 VanDerWaalsContact C-N 3.3Å; A944-Q946 PolarHBondContact O-N 3.22Å; Q946-I950 HydrophobicContact CG-CD1 4.32Å; Q946-I950 WeakPolarHBondContact O-CD1 3.32Å; Q946-I950 WeakPolarHBondContact O-CG1 3.38Å; Q946-I950 PolarHBondContact O-N 2.98Å
947S83.1Confident84.3Confident12 Ų1243.9 Ų43.98%0.08420%0.201CC..Hα-helixtrans-71.6-38.4178.580.30000111.5A944 F945 V949 I950 Y951A944-S947 PolarHBondContact O-N 3.44Å; A944-S947 PolarHBondContact O-OG 3.24Å; F945-S947 VanDerWaalsContact C-N 3.28Å; F945-S947 PolarHBondContact O-N 3.03Å; S947-V949 PolarHBondContact O-N 2.93Å; S947-I950 PolarHBondContact O-N 2.67Å; S947-Y951 WeakPolarHBondContact O-CB 3.48Å; S947-Y951 WeakPolarHBondContact O-CD2 3.45Å; S947-Y951 PolarHBondContact O-N 3.2Å
948I84.4Confident83.8Confident55 Ų5547.3 Ų47.328%0.28223%0.232SC..Hα-helixtrans-60.4-45176.2-64.5168.3000111.5L671 A944 F945 I950 R952L671-I948 HydrophobicContact CD2-CD1 4.3Å; L671-I948 HydrophobicContact CD2-CG1 4.45Å; A944-I948 PolarHBondContact O-N 3.37Å; A944-I948 VanDerWaalsContact O-N 3.11Å; F945-I948 PolarHBondContact O-N 3.13Å; F945-I948 VanDerWaalsContact O-N 3.1Å; I948-I950 PolarHBondContact O-N 3.33Å; I948-R952 VanDerWaalsContact O-CB 3.26Å; I948-R952 WeakPolarHBondContact O-CB 3.35Å; I948-R952 PolarHBondContact O-N 2.8Å
949V85.5Confident83.1Confident0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-56.9-50.2175.8173.90000110.6W821 F824 I828 F945 S947 R952 Q953W821-V949 HydrophobicContact CE3-CB 4.48Å; W821-V949 HydrophobicContact CE3-CG1 4.41Å; W821-V949 HydrophobicContact CE3-CG2 4.12Å; W821-V949 HydrophobicContact CZ3-CB 4.35Å; W821-V949 HydrophobicContact CZ3-CG2 3.78Å; F824-V949 HydrophobicContact CB-CG1 4.04Å; F824-V949 HydrophobicContact CB-CG2 4.28Å; I828-V949 HydrophobicContact CG1-CG2 4.47Å; I828-V949 HydrophobicContact CG2-CG1 4.39Å; F945-V949 HydrophobicContact CD1-CG2 3.98Å; F945-V949 HydrophobicContact CE1-CG2 3.61Å; F945-V949 HydrophobicContact CE2-CG2 4.36Å; F945-V949 HydrophobicContact CG-CG2 4.49Å; F945-V949 HydrophobicContact CZ-CG2 3.82Å; F945-V949 WeakPolarHBondContact O-CG2 3.46Å; F945-V949 PolarHBondContact O-N 2.9Å; S947-V949 PolarHBondContact O-N 2.93Å; V949-R952 PolarHBondContact O-N 2.88Å; V949-Q953 PolarHBondContact O-N 3.02Å
950I81.1Confident82.6Confident66 Ų6652.7 Ų52.734%0.33826%0.264SS..Hα-helixtrans-67.7-44.8-176.8-66.1167.7000111.2Q946 S947 I948 Q953 R954Q946-I950 HydrophobicContact CG-CD1 4.32Å; Q946-I950 WeakPolarHBondContact O-CD1 3.32Å; Q946-I950 WeakPolarHBondContact O-CG1 3.38Å; Q946-I950 PolarHBondContact O-N 2.98Å; S947-I950 PolarHBondContact O-N 2.67Å; I948-I950 PolarHBondContact O-N 3.33Å; I950-Q953 PolarHBondContact O-N 3.21Å; I950-R954 VanDerWaalsContact O-CB 3.31Å; I950-R954 WeakPolarHBondContact O-CB 3.39Å; I950-R954 PolarHBondContact O-N 2.98Å
951Y80.3Confident81.9Confident92 Ų9256 Ų5636%0.36130%0.298SS..Hα-helixtrans-64.2-40.2176.5-71.6-49.3000111.9S947 H955S947-Y951 WeakPolarHBondContact O-CB 3.48Å; S947-Y951 WeakPolarHBondContact O-CD2 3.45Å; S947-Y951 PolarHBondContact O-N 3.2Å; Y951-H955 WeakPolarHBondContact O-CB 3.32Å; Y951-H955 PolarHBondContact O-N 3.3Å
952R83Confident81.4Confident69 Ų6955.2 Ų55.226%0.2630%0.295SS..Hα-helixtrans-60.9-52.1174.8-173.9-163.4-176.8-87.80.2111.2E818 W821 I948 V949 H955 Y956E818-R952 IonicContact OE1-CZ 2.73Å; E818-R952 IonicContact OE1-NH1 3.42Å; E818-R952 PolarHBondContact OE1-NH1 3.01Å; E818-R952 IonicContact OE1-NH2 3.74Å; E818-R952 PolarHBondContact OE1-NH2 3.16Å; E818-R952 IonicContact OE2-CZ 2.76Å; E818-R952 IonicContact OE2-NH1 2.81Å; E818-R952 PolarHBondContact OE2-NH1 3.36Å; E818-R952 IonicContact OE2-NH2 3.71Å; W821-R952 VanDerWaalsContact CD2-CD 3.42Å; I948-R952 VanDerWaalsContact O-CB 3.26Å; I948-R952 WeakPolarHBondContact O-CB 3.35Å; I948-R952 PolarHBondContact O-N 2.8Å; V949-R952 PolarHBondContact O-N 2.88Å; R952-H955 PolarHBondContact O-N 3.49Å; R952-Y956 WeakPolarHBondContact O-CB 3.48Å; R952-Y956 PolarHBondContact O-N 3.41Å
953Q82.7Confident80.9Confident6 Ų658.1 Ų58.13%0.02831%0.312CS..Hα-helixtrans-69.3-33.9-177.2-78.5-59.3-13.900112.8E818 W821 V949 I950 Y956 R957E818-Q953 PolarHBondContact OE2-NE2 3.44Å; W821-Q953 VanDerWaalsContact CB-NE2 3.27Å; V949-Q953 PolarHBondContact O-N 3.02Å; I950-Q953 PolarHBondContact O-N 3.21Å; Q953-Y956 PolarHBondContact O-N 3.24Å; Q953-R957 WeakPolarHBondContact O-CG 3.16Å; Q953-R957 PolarHBondContact O-N 2.97Å
954R81.3Confident80Confident147 Ų14763.6 Ų63.656%0.55534%0.338SS*.Hα-helixtrans-63.2-42.3170.4179.4164.8-83.9172.4-7.4112.1I950 A958 E964I950-R954 VanDerWaalsContact O-CB 3.31Å; I950-R954 WeakPolarHBondContact O-CB 3.39Å; I950-R954 PolarHBondContact O-N 2.98Å; R954-A958 VanDerWaalsContact O-CB 3.24Å; R954-A958 WeakPolarHBondContact O-CB 3.39Å; R954-A958 PolarHBondContact O-N 3.49Å; R954-E964 IonicContact NE-OE1 2.79Å; R954-E964 IonicContact NH2-OE1 3.73Å; R954-E964 PolarHBondContact NH2-OE1 2.94Å
955H77.7Confident79.2Confident110 Ų11068.1 Ų68.151%0.50937%0.369SS..Hα-helixtrans-64.3-43.7173.5-176-74.9000111.9Y951 R952 A958 S959Y951-H955 WeakPolarHBondContact O-CB 3.32Å; Y951-H955 PolarHBondContact O-N 3.3Å; R952-H955 PolarHBondContact O-N 3.49Å; H955-A958 PolarHBondContact O-N 3.34Å; H955-S959 PolarHBondContact O-N 3.36Å; H955-S959 PolarHBondContact O-OG 3.04Å
956Y78.9Confident78.4Confident69 Ų6968 Ų6827%0.27137%0.37SS..Hα-helixtrans-61.6-49.5179.8-175.5-107.2000111.8R952 Q953 A958 S959 L960R952-Y956 WeakPolarHBondContact O-CB 3.48Å; R952-Y956 PolarHBondContact O-N 3.41Å; Q953-Y956 PolarHBondContact O-N 3.24Å; Y956-A958 PolarHBondContact O-N 2.83Å; Y956-S959 WeakPolarHBondContact CA-OG 3.35Å; Y956-S959 PolarHBondContact O-N 2.78Å; Y956-S959 PolarHBondContact O-OG 2.73Å; Y956-L960 HydrophobicContact CD1-CD1 4.15Å; Y956-L960 HydrophobicContact CD2-CD1 4.19Å; Y956-L960 HydrophobicContact CE1-CD1 3.66Å; Y956-L960 HydrophobicContact CE2-CD1 3.72Å; Y956-L960 HydrophobicContact CG-CD1 4.39Å; Y956-L960 VanDerWaalsContact CZ-CD1 3.43Å; Y956-L960 PolarHBondContact O-N 2.71Å
957R79.9Confident77.5Confident33 Ų3373.6 Ų73.613%0.12539%0.391CS..Hα-helixtrans-59.8-43.8172.8-70.9-163.3-176.49411.5112.2E825 Q953 S959 L960 G961 L962E825-R957 VanDerWaalsContact CD-NH2 3.28Å; E825-R957 IonicContact OE1-CZ 2.81Å; E825-R957 IonicContact OE1-NH1 3.65Å; E825-R957 PolarHBondContact OE1-NH1 3.25Å; E825-R957 IonicContact OE1-NH2 3.09Å; E825-R957 PolarHBondContact OE1-NH2 3.5Å; E825-R957 IonicContact OE2-CZ 2.71Å; E825-R957 IonicContact OE2-NH1 2.72Å; E825-R957 PolarHBondContact OE2-NH1 3.3Å; E825-R957 IonicContact OE2-NH2 2.61Å; E825-R957 PolarHBondContact OE2-NH2 2.89Å; Q953-R957 WeakPolarHBondContact O-CG 3.16Å; Q953-R957 PolarHBondContact O-N 2.97Å; R957-S959 VanDerWaalsContact C-N 3.28Å; R957-S959 PolarHBondContact O-N 2.89Å; R957-L960 CarbonylContact O-C 3.59Å; R957-L960 PolarHBondContact O-N 3.36Å; R957-G961 PolarHBondContact O-N 2.73Å; R957-L962 HydrophobicContact CB-CB 4.4Å; R957-L962 HydrophobicContact CG-CB 4.15Å; R957-L962 PolarHBondContact O-N 2.8Å
958A76.6Confident77Confident84 Ų8476.6 Ų76.669%0.69442%0.416SS*.Hα-helixtrans-62.6-33.3177.600000112.9R954 H955 Y956 L960R954-A958 VanDerWaalsContact O-CB 3.24Å; R954-A958 WeakPolarHBondContact O-CB 3.39Å; R954-A958 PolarHBondContact O-N 3.49Å; H955-A958 PolarHBondContact O-N 3.34Å; Y956-A958 PolarHBondContact O-N 2.83Å; A958-L960 VanDerWaalsContact C-N 3.28Å; A958-L960 PolarHBondContact O-N 3.42Å
959S73.5Confident76.6Confident75 Ų7578.2 Ų78.252%0.52442%0.421SS..THydrogen-bonded Turntrans-77.4-7.5174.662.90000114.9H955 Y956 R957H955-S959 PolarHBondContact O-N 3.36Å; H955-S959 PolarHBondContact O-OG 3.04Å; Y956-S959 WeakPolarHBondContact CA-OG 3.35Å; Y956-S959 PolarHBondContact O-N 2.78Å; Y956-S959 PolarHBondContact O-OG 2.73Å; R957-S959 VanDerWaalsContact C-N 3.28Å; R957-S959 PolarHBondContact O-N 2.89Å
960L76.9Confident76.4Confident95 Ų9578.6 Ų78.650%0.49742%0.424SS..THydrogen-bonded Turntrans-128.2-5.8-175.3-68.6178000114.9Y956 R957 A958 L962Y956-L960 HydrophobicContact CD1-CD1 4.15Å; Y956-L960 HydrophobicContact CD2-CD1 4.19Å; Y956-L960 HydrophobicContact CE1-CD1 3.66Å; Y956-L960 HydrophobicContact CE2-CD1 3.72Å; Y956-L960 HydrophobicContact CG-CD1 4.39Å; Y956-L960 VanDerWaalsContact CZ-CD1 3.43Å; Y956-L960 PolarHBondContact O-N 2.71Å; R957-L960 CarbonylContact O-C 3.59Å; R957-L960 PolarHBondContact O-N 3.36Å; A958-L960 VanDerWaalsContact C-N 3.28Å; A958-L960 PolarHBondContact O-N 3.42Å; L960-L962 HydrophobicContact CB-CD1 4.17Å; L960-L962 HydrophobicContact CB-CG 4.08Å; L960-L962 HydrophobicContact CD1-CD1 4.28Å
961G73.8Confident76.4Confident71 Ų7177.4 Ų77.473%0.73242%0.416SS*.THydrogen-bonded Turntrans72.821179.400000115.6R957R957-G961 PolarHBondContact O-N 2.73Å
962L76.7Confident76.1Confident70 Ų7074.9 Ų74.937%0.36641%0.411SS..  trans-84.8136.3-173.7-64.3172.9000113.1R957 L960 M966R957-L962 HydrophobicContact CB-CB 4.4Å; R957-L962 HydrophobicContact CG-CB 4.15Å; R957-L962 PolarHBondContact O-N 2.8Å; L960-L962 HydrophobicContact CB-CD1 4.17Å; L960-L962 HydrophobicContact CB-CG 4.08Å; L960-L962 HydrophobicContact CD1-CD1 4.28Å; L962-M966 HydrophobicContact CD2-CE 4.38Å
963P76.2Confident75.8Confident73 Ų7378.6 Ų78.647%0.47444%0.436SS..  trans-72.7151.2-177.629.3-36.3000114S965 M966P963-S965 VanDerWaalsContact C-N 3.32Å; P963-S965 PolarHBondContact O-N 3.43Å; P963-M966 HydrophobicContact CG-CE 3.69Å
964E69.1Low75.6Confident117 Ų11779.1 Ų79.155%0.54744%0.438SS..G310 helixtrans-72.6-16.1-177.2-67.9-162.5148.300114.3R954 M966 R967R954-E964 IonicContact NE-OE1 2.79Å; R954-E964 IonicContact NH2-OE1 3.73Å; R954-E964 PolarHBondContact NH2-OE1 2.94Å; E964-M966 PolarHBondContact O-N 3.1Å; E964-M966 VanDerWaalsContact O-N 3.12Å; E964-R967 VanDerWaalsContact O-CB 3.25Å; E964-R967 WeakPolarHBondContact O-CB 3.49Å; E964-R967 PolarHBondContact O-N 3.09Å; E964-R967 VanDerWaalsContact O-N 3.08Å
965S68.5Low75.4Confident106 Ų10676.9 Ų76.974%0.74143%0.434SS*.G310 helixtrans-61.7-21.6-17956.40000114.4P963 R967P963-S965 VanDerWaalsContact C-N 3.32Å; P963-S965 PolarHBondContact O-N 3.43Å; S965-R967 PolarHBondContact O-N 3.26Å
966M68.6Low75.3Confident69 Ų6976.2 Ų76.234%0.3443%0.431SS..G310 helixtrans-73.8-3.8175.7-75-173.9-96.700114.4L962 P963 E964 A968 K969 P972L962-M966 HydrophobicContact CD2-CE 4.38Å; P963-M966 HydrophobicContact CG-CE 3.69Å; E964-M966 PolarHBondContact O-N 3.1Å; E964-M966 VanDerWaalsContact O-N 3.12Å; M966-A968 PolarHBondContact O-N 3.07Å; M966-K969 PolarHBondContact O-N 2.8Å; M966-P972 HydrophobicContact CG-CB 4.19Å; M966-P972 HydrophobicContact SD-CB 3.78Å; M966-P972 HydrophobicContact SD-CG 4.16Å
967R70.1Confident75.2Confident127 Ų12776.4 Ų76.448%0.47944%0.442SS..G310 helixtrans-58.8-17.2-176.2-179.5169.6178-147.3-5.6115.4E825 E964 S965E825-R967 HydrophobicContact CG-CG 4.48Å; E825-R967 WeakPolarHBondContact OE1-CG 3.36Å; E964-R967 VanDerWaalsContact O-CB 3.25Å; E964-R967 WeakPolarHBondContact O-CB 3.49Å; E964-R967 PolarHBondContact O-N 3.09Å; E964-R967 VanDerWaalsContact O-N 3.08Å; S965-R967 PolarHBondContact O-N 3.26Å
968A72.4Confident75.4Confident74 Ų7478.2 Ų78.261%0.61245%0.452SS*.G310 helixtrans-103.53.8-172.300000115.9M966M966-A968 PolarHBondContact O-N 3.07Å
969K76.3Confident75.5Confident89 Ų8976.7 Ų76.739%0.38743%0.43SS..  trans-131145.9179.9-70.6-176.2171.8-175.40111.1M966 Y993M966-K969 PolarHBondContact O-N 2.8Å; K969-Y993 PolarHBondContact NZ-OH 3.21Å
970V80.4Confident75.7Confident9 Ų974.2 Ų74.26%0.05541%0.41CS..SBendtrans-83.1-43.4176-178.20000110.3L819 V826 P972 I991 D992L819-V970 HydrophobicContact CD1-CG1 3.6Å; V826-V970 HydrophobicContact CG2-CG2 4.36Å; V970-P972 WeakPolarHBondContact O-CD 3.33Å; V970-I991 HydrophobicContact CB-CG2 4.27Å; V970-I991 HydrophobicContact CG2-CG2 4.25Å; V970-D992 PolarHBondContact N-OD1 3.37Å
971F82.5Confident75.8Confident40 Ų4078.6 Ų78.618%0.17542%0.421CS..  trans-112.488.7176.7-53.8-78.9000111.1L819 D973 F974 Q988 I991 D992L819-F971 HydrophobicContact CD1-CD1 4.27Å; L819-F971 HydrophobicContact CD1-CE1 3.56Å; L819-F971 HydrophobicContact CD1-CZ 3.88Å; L819-F971 HydrophobicContact CD2-CE1 4.24Å; L819-F971 HydrophobicContact CD2-CZ 4.35Å; F971-D973 PolarHBondContact O-N 2.75Å; F971-D973 VanDerWaalsContact O-N 3.12Å; F971-F974 HydrophobicContact CB-CB 4.33Å; F971-F974 PolarHBondContact O-N 2.85Å; F971-Q988 HydrophobicContact CD2-CB 4.29Å; F971-Q988 HydrophobicContact CD2-CG 4.02Å; F971-Q988 HydrophobicContact CE2-CG 4.21Å; F971-Q988 HydrophobicContact CG-CG 4.19Å; F971-I991 HydrophobicContact CD2-CG2 4.47Å; F971-I991 HydrophobicContact CE2-CB 4.31Å; F971-I991 HydrophobicContact CE2-CD1 3.88Å; F971-I991 HydrophobicContact CE2-CG2 4.07Å; F971-I991 HydrophobicContact CZ-CD1 4.48Å; F971-D992 WeakPolarHBondContact CB-OD2 3.49Å; F971-D992 WeakPolarHBondContact CD2-OD2 3.31Å; F971-D992 PolarHBondContact N-OD2 3.17Å
972P72.3Confident76.1Confident39 Ų3977 Ų7725%0.25340%0.398SS..THydrogen-bonded Turntrans-61.9-22.1-179.525.7-34.5000113.5M966 V970 F974M966-P972 HydrophobicContact CG-CB 4.19Å; M966-P972 HydrophobicContact SD-CB 3.78Å; M966-P972 HydrophobicContact SD-CG 4.16Å; V970-P972 WeakPolarHBondContact O-CD 3.33Å; P972-F974 VanDerWaalsContact C-N 3.31Å; P972-F974 PolarHBondContact O-N 3.48Å
973D76.9Confident76.2Confident148 Ų14879 Ų7979%0.79141%0.409SS*.THydrogen-bonded Turntrans-81.3-1.4-174.7-37.3-49.5000114.1F971F971-D973 PolarHBondContact O-N 2.75Å; F971-D973 VanDerWaalsContact O-N 3.12Å
974F79.8Confident76.5Confident17 Ų1782.2 Ų82.28%0.07542%0.415CS..  trans-104.3134.5-169-178.8-102.4000114.9F971 P972 H978 F979 N985 Q988 F989 Y993F971-F974 HydrophobicContact CB-CB 4.33Å; F971-F974 PolarHBondContact O-N 2.85Å; P972-F974 VanDerWaalsContact C-N 3.31Å; P972-F974 PolarHBondContact O-N 3.48Å; F974-H978 HydrophobicContact CE2-CB 4.19Å; F974-F979 HydrophobicContact CZ-CB 4.41Å; F974-N985 HydrophobicContact CE2-CB 3.91Å; F974-N985 WeakPolarHBondContact CZ-O 3.37Å; F974-Q988 HydrophobicContact CD1-CB 4.24Å; F974-Q988 HydrophobicContact CD2-CB 4.08Å; F974-Q988 HydrophobicContact CE2-CB 4.46Å; F974-Q988 HydrophobicContact CG-CB 3.98Å; F974-F989 HydrophobicContact CE1-CB 3.65Å; F974-F989 HydrophobicContact CE1-CD2 4.24Å; F974-F989 HydrophobicContact CE1-CG 4.47Å; F974-F989 HydrophobicContact CZ-CB 3.83Å; F974-Y993 HydrophobicContact CD1-CE2 4.16Å; F974-Y993 HydrophobicContact CE1-CE2 4.33Å
975H76Confident77.3Confident99 Ų9978 Ų7846%0.45840%0.397SS..  trans-119.9138.7178.5-164.4-92.7000112.3S977 H978H975-S977 VanDerWaalsContact C-N 3.28Å; H975-S977 PolarHBondContact ND1-OG 2.94Å; H975-S977 PolarHBondContact O-N 3.22Å; H975-S977 VanDerWaalsContact O-N 3.15Å; H975-H978 PolarHBondContact O-N 3.44Å; H975-H978 VanDerWaalsContact O-N 3.16Å
976H75.4Confident78Confident96 Ų9674.3 Ų74.344%0.44437%0.372SS..G310 helixtrans-59.9-32.8-167.363.8-112.8000114.2H978 F979 F989H976-H978 PolarHBondContact O-N 3.29Å; H976-F979 PolarHBondContact O-N 3.35Å; H976-F989 HydrophobicContact CB-CD2 4.37Å; H976-F989 HydrophobicContact CB-CE2 4.28Å
977S78Confident78.7Confident74 Ų7475.2 Ų75.252%0.51738%0.378SS..G310 helixtrans-68.2-4.2-178.455.90000114.5H975H975-S977 VanDerWaalsContact C-N 3.28Å; H975-S977 PolarHBondContact ND1-OG 2.94Å; H975-S977 PolarHBondContact O-N 3.22Å; H975-S977 VanDerWaalsContact O-N 3.15Å
978H83Confident79.5Confident71 Ų7170.4 Ų70.433%0.32936%0.36SS..G310 helixtrans-100.10.6178-66.1-28.4000114.6F974 H975 H976 D980 R981 N985F974-H978 HydrophobicContact CE2-CB 4.19Å; H975-H978 PolarHBondContact O-N 3.44Å; H975-H978 VanDerWaalsContact O-N 3.16Å; H976-H978 PolarHBondContact O-N 3.29Å; H978-D980 VanDerWaalsContact C-N 3.32Å; H978-D980 PolarHBondContact O-N 3.41Å; H978-R981 PolarHBondContact O-N 3.02Å; H978-N985 VanDerWaalsContact O-CB 3.24Å; H978-N985 WeakPolarHBondContact O-CB 3.42Å; H978-N985 PolarHBondContact O-ND2 3.13Å
979F80Confident80.1Confident52 Ų5268.7 Ų68.723%0.22834%0.339CS..G310 helixtrans-58.4-38.9-171.497.3-86.3000113.6F974 H976 R981 A986 F989 Y1319F974-F979 HydrophobicContact CZ-CB 4.41Å; H976-F979 PolarHBondContact O-N 3.35Å; F979-R981 VanDerWaalsContact C-N 3.33Å; F979-R981 PolarHBondContact O-N 3.35Å; F979-A986 PolarHBondContact O-N 3.14Å; F979-F989 HydrophobicContact CB-CB 3.96Å; F979-F989 HydrophobicContact CB-CD2 4.41Å; F979-F989 HydrophobicContact CB-CG 4.06Å; F979-Y1319 WeakPolarHBondContact CZ-OH 3.32Å
980D77.2Confident80.5Confident22 Ų2270 Ų7012%0.11835%0.35CS..G310 helixtrans-69.7-21.9-178.5-85.4-22.5000115.3H978 S982 K1161H978-D980 VanDerWaalsContact C-N 3.32Å; H978-D980 PolarHBondContact O-N 3.41Å; D980-S982 VanDerWaalsContact C-N 3.31Å; D980-S982 PolarHBondContact O-N 3.2Å; D980-K1161 WeakPolarHBondContact OD1-CE 3.38Å; D980-K1161 IonicContact OD1-NZ 3.22Å; D980-K1161 PolarHBondContact OD1-NZ 3.38Å; D980-K1161 IonicContact OD2-NZ 3.2Å; D980-K1161 PolarHBondContact OD2-NZ 2.98Å
981R79.1Confident80.7Confident188 Ų18873.7 Ų73.771%0.70937%0.368SS*.G310 helixtrans-68.2-27.8-172.1-69-174.3174.5-172.6-2.2113.5H978 F979H978-R981 PolarHBondContact O-N 3.02Å; F979-R981 VanDerWaalsContact C-N 3.33Å; F979-R981 PolarHBondContact O-N 3.35Å
982S80.3Confident80.8Confident38 Ų3873.4 Ų73.427%0.26637%0.369SS..  trans-161.5157.4177.880.80000112.7D980 K984 N985 A986D980-S982 VanDerWaalsContact C-N 3.31Å; D980-S982 PolarHBondContact O-N 3.2Å; S982-K984 PolarHBondContact O-N 2.89Å; S982-K984 PolarHBondContact OG-N 3.09Å; S982-N985 WeakPolarHBondContact O-CB 3.47Å; S982-N985 PolarHBondContact O-N 3.19Å; S982-N985 PolarHBondContact OG-N 3.26Å; S982-N985 PolarHBondContact OG-OD1 3.22Å; S982-A986 PolarHBondContact O-N 3.36Å
983L78Confident81.4Confident111 Ų11173.7 Ų73.758%0.58137%0.365SS*.Hα-helixtrans-56.9-35173.4-168.3107.6000112.4N985 A986 I987L983-N985 VanDerWaalsContact C-N 3.35Å; L983-N985 PolarHBondContact O-N 2.86Å; L983-A986 PolarHBondContact O-N 2.83Å; L983-I987 HydrophobicContact CD2-CD1 3.82Å; L983-I987 HydrophobicContact CG-CD1 4.19Å; L983-I987 WeakPolarHBondContact O-CG1 3.36Å; L983-I987 PolarHBondContact O-N 3.18Å
984K82.9Confident81.8Confident140 Ų14067 Ų6761%0.60933%0.331SS*.Hα-helixtrans-59.9-46.3174.3-176.5-164.6172-166.40110.9S982 A986 I987 Q988S982-K984 PolarHBondContact O-N 2.89Å; S982-K984 PolarHBondContact OG-N 3.09Å; K984-A986 VanDerWaalsContact C-N 3.34Å; K984-I987 PolarHBondContact O-N 3.32Å; K984-Q988 WeakPolarHBondContact O-CG 3.47Å; K984-Q988 PolarHBondContact O-N 2.9Å
985N85.5Confident82.1Confident30 Ų3069.1 Ų69.116%0.1634%0.34CS..Hα-helixtrans-66.4-38.3-179.5-64.115.2000111.3F974 H978 S982 L983 Q988 F989F974-N985 HydrophobicContact CE2-CB 3.91Å; F974-N985 WeakPolarHBondContact CZ-O 3.37Å; H978-N985 VanDerWaalsContact O-CB 3.24Å; H978-N985 WeakPolarHBondContact O-CB 3.42Å; H978-N985 PolarHBondContact O-ND2 3.13Å; S982-N985 WeakPolarHBondContact O-CB 3.47Å; S982-N985 PolarHBondContact O-N 3.19Å; S982-N985 PolarHBondContact OG-N 3.26Å; S982-N985 PolarHBondContact OG-OD1 3.22Å; L983-N985 VanDerWaalsContact C-N 3.35Å; L983-N985 PolarHBondContact O-N 2.86Å; N985-Q988 PolarHBondContact O-N 3.34Å; N985-F989 WeakPolarHBondContact O-CB 3.28Å; N985-F989 PolarHBondContact O-N 2.04Å
986A82.8Confident82.6Confident28 Ų2866.7 Ų66.723%0.23133%0.327CS..Hα-helixtrans-63.5-38.6173.600000112.5F979 S982 L983 K984 F989 L990F979-A986 PolarHBondContact O-N 3.14Å; S982-A986 PolarHBondContact O-N 3.36Å; L983-A986 PolarHBondContact O-N 2.83Å; K984-A986 VanDerWaalsContact C-N 3.34Å; A986-F989 PolarHBondContact O-N 2.95Å; A986-L990 WeakPolarHBondContact O-CB 3.12Å; A986-L990 PolarHBondContact O-N 3.18Å
987I84.1Confident83.1Confident88 Ų8864.2 Ų64.245%0.45132%0.315SS..Hα-helixtrans-68.4-42.4174.7-68.7165.2000111.4L983 K984 F989 L990 I991L983-I987 HydrophobicContact CD2-CD1 3.82Å; L983-I987 HydrophobicContact CG-CD1 4.19Å; L983-I987 WeakPolarHBondContact O-CG1 3.36Å; L983-I987 PolarHBondContact O-N 3.18Å; K984-I987 PolarHBondContact O-N 3.32Å; I987-F989 VanDerWaalsContact C-N 3.34Å; I987-F989 PolarHBondContact O-N 2.93Å; I987-L990 PolarHBondContact O-N 2.94Å; I987-I991 HydrophobicContact CG2-CD1 3.88Å; I987-I991 WeakPolarHBondContact O-CG1 3.35Å; I987-I991 PolarHBondContact O-N 3.2Å
988Q85.8Confident83.6Confident25 Ų2564.4 Ų64.412%0.11731%0.307CS..Hα-helixtrans-62.4-41.4175.2-68.9-177.2-79.400111.5F971 F974 K984 N985 L990 I991 D992F971-Q988 HydrophobicContact CD2-CB 4.29Å; F971-Q988 HydrophobicContact CD2-CG 4.02Å; F971-Q988 HydrophobicContact CE2-CG 4.21Å; F971-Q988 HydrophobicContact CG-CG 4.19Å; F974-Q988 HydrophobicContact CD1-CB 4.24Å; F974-Q988 HydrophobicContact CD2-CB 4.08Å; F974-Q988 HydrophobicContact CE2-CB 4.46Å; F974-Q988 HydrophobicContact CG-CB 3.98Å; K984-Q988 WeakPolarHBondContact O-CG 3.47Å; K984-Q988 PolarHBondContact O-N 2.9Å; N985-Q988 PolarHBondContact O-N 3.34Å; Q988-L990 PolarHBondContact O-N 3.35Å; Q988-I991 PolarHBondContact O-N 3.37Å; Q988-D992 PolarHBondContact O-N 3.07Å; Q988-D992 VanDerWaalsContact O-N 3.09Å
989F86.4Confident83.9Confident39 Ų3961 Ų6117%0.17129%0.291CS..Hα-helixtrans-58.7-44.6171.3175.8-100.7000112.5F974 H976 F979 N985 A986 I987 I991 Y993 G994 K997F974-F989 HydrophobicContact CE1-CB 3.65Å; F974-F989 HydrophobicContact CE1-CD2 4.24Å; F974-F989 HydrophobicContact CE1-CG 4.47Å; F974-F989 HydrophobicContact CZ-CB 3.83Å; H976-F989 HydrophobicContact CB-CD2 4.37Å; H976-F989 HydrophobicContact CB-CE2 4.28Å; F979-F989 HydrophobicContact CB-CB 3.96Å; F979-F989 HydrophobicContact CB-CD2 4.41Å; F979-F989 HydrophobicContact CB-CG 4.06Å; N985-F989 WeakPolarHBondContact O-CB 3.28Å; N985-F989 PolarHBondContact O-N 2.04Å; A986-F989 PolarHBondContact O-N 2.95Å; I987-F989 VanDerWaalsContact C-N 3.34Å; I987-F989 PolarHBondContact O-N 2.93Å; F989-I991 PolarHBondContact O-N 3.04Å; F989-Y993 AromaticContact CD2-CD2 3.97Å; F989-Y993 HydrophobicContact CD2-CD2 3.97Å; F989-Y993 HydrophobicContact CD2-CG 4.32Å; F989-Y993 HydrophobicContact CE2-CD2 4.41Å; F989-Y993 HydrophobicContact CE2-CG 4.34Å; F989-Y993 WeakPolarHBondContact O-CA 3.22Å; F989-Y993 WeakPolarHBondContact O-CB 3.43Å; F989-Y993 PolarHBondContact O-N 3.03Å; F989-G994 PolarHBondContact O-N 2.9Å; F989-K997 HydrophobicContact CZ-CG 4.13Å
990L84.9Confident84.3Confident116 Ų11659.2 Ų59.261%0.60728%0.284SS*.Hα-helixtrans-67.2-34.9-179.5-168.7147000112.5A986 I987 Q988 G994A986-L990 WeakPolarHBondContact O-CB 3.12Å; A986-L990 PolarHBondContact O-N 3.18Å; I987-L990 PolarHBondContact O-N 2.94Å; Q988-L990 PolarHBondContact O-N 3.35Å; L990-G994 WeakPolarHBondContact O-CA 3.25Å; L990-G994 PolarHBondContact O-N 3.47Å
991I83.7Confident85Confident86 Ų8658.6 Ų58.644%0.44128%0.281SS..Hα-helixtrans-71.5-50.2177.4-68.4167.5000111.8V970 F971 I987 Q988 F989V970-I991 HydrophobicContact CB-CG2 4.27Å; V970-I991 HydrophobicContact CG2-CG2 4.25Å; F971-I991 HydrophobicContact CD2-CG2 4.47Å; F971-I991 HydrophobicContact CE2-CB 4.31Å; F971-I991 HydrophobicContact CE2-CD1 3.88Å; F971-I991 HydrophobicContact CE2-CG2 4.07Å; F971-I991 HydrophobicContact CZ-CD1 4.48Å; I987-I991 HydrophobicContact CG2-CD1 3.88Å; I987-I991 WeakPolarHBondContact O-CG1 3.35Å; I987-I991 PolarHBondContact O-N 3.2Å; Q988-I991 PolarHBondContact O-N 3.37Å; F989-I991 PolarHBondContact O-N 3.04Å
992D84.4Confident85.6Confident34 Ų3452.7 Ų52.718%0.18226%0.263CS..Hα-helixtrans-84.3-23.8-175.7-73.3-56.6000113.8V970 F971 Q988V970-D992 PolarHBondContact N-OD1 3.37Å; F971-D992 WeakPolarHBondContact CB-OD2 3.49Å; F971-D992 WeakPolarHBondContact CD2-OD2 3.31Å; F971-D992 PolarHBondContact N-OD2 3.17Å; Q988-D992 PolarHBondContact O-N 3.07Å; Q988-D992 VanDerWaalsContact O-N 3.09Å
993Y84.8Confident86.1Confident45 Ų4551.1 Ų51.118%0.17625%0.251CS..Hα-helixtrans-128.3-2.1-175.4-57.6-86.8000115.4K969 F974 F989 F995 Y996 K997K969-Y993 PolarHBondContact NZ-OH 3.21Å; F974-Y993 HydrophobicContact CD1-CE2 4.16Å; F974-Y993 HydrophobicContact CE1-CE2 4.33Å; F989-Y993 AromaticContact CD2-CD2 3.97Å; F989-Y993 HydrophobicContact CD2-CD2 3.97Å; F989-Y993 HydrophobicContact CD2-CG 4.32Å; F989-Y993 HydrophobicContact CE2-CD2 4.41Å; F989-Y993 HydrophobicContact CE2-CG 4.34Å; F989-Y993 WeakPolarHBondContact O-CA 3.22Å; F989-Y993 WeakPolarHBondContact O-CB 3.43Å; F989-Y993 PolarHBondContact O-N 3.03Å; Y993-F995 PolarHBondContact O-N 2.97Å; Y993-Y996 WeakPolarHBondContact O-CB 3.28Å; Y993-Y996 PolarHBondContact O-N 3.46Å; Y993-Y996 VanDerWaalsContact O-N 3.08Å; Y993-K997 PolarHBondContact O-N 3.44Å; Y993-K997 VanDerWaalsContact O-N 3.12Å
994G85.3Confident86.8Confident8 Ų846.7 Ų46.78%0.08223%0.228CC..Hα-helixtrans-57.6-51.8-175.700000113.5F989 L990 Y996 K997 F998F989-G994 PolarHBondContact O-N 2.9Å; L990-G994 WeakPolarHBondContact O-CA 3.25Å; L990-G994 PolarHBondContact O-N 3.47Å; G994-Y996 VanDerWaalsContact C-N 3.26Å; G994-Y996 PolarHBondContact O-N 3.36Å; G994-K997 PolarHBondContact O-N 2.96Å; G994-F998 WeakPolarHBondContact O-CD2 3.28Å; G994-F998 PolarHBondContact O-N 3.26Å
995F87.9Confident87.3Confident61 Ų6141.4 Ų41.427%0.26821%0.206SC..Hα-helixtrans-66.9-25.2176.8-166.8-93.7000112.9Y993 G999 I1002 L1114 C1117 Q1118 V1121Y993-F995 PolarHBondContact O-N 2.97Å; F995-G999 VanDerWaalsContact O-CA 3.24Å; F995-G999 WeakPolarHBondContact O-CA 3.33Å; F995-G999 PolarHBondContact O-N 3.01Å; F995-I1002 HydrophobicContact CD2-CD1 4.19Å; F995-I1002 HydrophobicContact CE2-CG2 4.33Å; F995-L1114 HydrophobicContact CE2-CD2 4.02Å; F995-C1117 HydrophobicContact CE1-CB 3.66Å; F995-C1117 HydrophobicContact CZ-CB 3.89Å; F995-Q1118 HydrophobicContact CE1-CB 4.29Å; F995-Q1118 HydrophobicContact CZ-CB 4.19Å; F995-V1121 HydrophobicContact CD1-CG2 3.87Å; F995-V1121 HydrophobicContact CE1-CG2 4.04Å
996Y86.4Confident87.6Confident48 Ų4840.8 Ų40.819%0.18821%0.205CC..Hα-helixtrans-70.8-31.1175.2179-97.4000112.9Y993 G994 V1121 N1129Y993-Y996 WeakPolarHBondContact O-CB 3.28Å; Y993-Y996 PolarHBondContact O-N 3.46Å; Y993-Y996 VanDerWaalsContact O-N 3.08Å; G994-Y996 VanDerWaalsContact C-N 3.26Å; G994-Y996 PolarHBondContact O-N 3.36Å; Y996-V1121 HydrophobicContact CD2-CG1 3.83Å; Y996-V1121 HydrophobicContact CE2-CG1 4.31Å; Y996-N1129 PolarHBondContact O-ND2 3.24Å
997K85.5Confident88.1Confident44 Ų4439.5 Ų39.519%0.19119%0.194CC..Hα-helixtrans-91.7-31177.5-69.5-52.8-162.7-172.60114.5F989 Y993 G994 D1128 N1129 R1313F989-K997 HydrophobicContact CZ-CG 4.13Å; Y993-K997 PolarHBondContact O-N 3.44Å; Y993-K997 VanDerWaalsContact O-N 3.12Å; G994-K997 PolarHBondContact O-N 2.96Å; K997-D1128 PolarHBondContact NZ-O 3.35Å; K997-N1129 WeakPolarHBondContact CD-OD1 3.21Å; K997-N1129 WeakPolarHBondContact CE-OD1 3.34Å; K997-N1129 PolarHBondContact NZ-OD1 3.27Å; K997-R1313 PolarHBondContact O-NH2 3.17Å
998F88Confident88.5Confident78 Ų7835.4 Ų35.434%0.34217%0.174SC..Hα-helixtrans-120.37.5-172.2-57-67.8000115.2G994 L1000 E1001 I1002 F1310G994-F998 WeakPolarHBondContact O-CD2 3.28Å; G994-F998 PolarHBondContact O-N 3.26Å; F998-L1000 VanDerWaalsContact C-N 3.3Å; F998-L1000 PolarHBondContact O-N 3.41Å; F998-E1001 VanDerWaalsContact C-OE2 3.27Å; F998-E1001 WeakPolarHBondContact CA-OE2 3.46Å; F998-E1001 PolarHBondContact O-N 3.32Å; F998-I1002 HydrophobicContact CB-CD1 4.08Å; F998-I1002 HydrophobicContact CB-CG1 4.46Å; F998-I1002 VanDerWaalsContact O-CG1 3.31Å; F998-I1002 WeakPolarHBondContact O-CG1 3.25Å; F998-I1002 PolarHBondContact O-N 3.43Å; F998-F1310 HydrophobicContact CD1-CE1 4.4Å
999G89.1Confident88.8Confident0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-64.3-26.1-172.300000115.5F995 T1003 Q1118F995-G999 VanDerWaalsContact O-CA 3.24Å; F995-G999 WeakPolarHBondContact O-CA 3.33Å; F995-G999 PolarHBondContact O-N 3.01Å; G999-T1003 WeakPolarHBondContact O-CB 3.25Å; G999-T1003 WeakPolarHBondContact O-CG2 3.38Å; G999-T1003 PolarHBondContact O-N 2.59Å; G999-T1003 PolarHBondContact O-OG1 2.99Å; G999-Q1118 VanDerWaalsContact C-OE1 3.31Å; G999-Q1118 VanDerWaalsContact CA-OE1 3.32Å
1000L89.6Confident89.1Confident14 Ų1436.5 Ų36.57%0.07318%0.181CC..Hα-helixtrans-73.3-44.2173.617558.8000111F998 T1003 M1004 R1034 V1037 W1041 F1122F998-L1000 VanDerWaalsContact C-N 3.3Å; F998-L1000 PolarHBondContact O-N 3.41Å; L1000-T1003 WeakPolarHBondContact CA-OG1 3.4Å; L1000-T1003 PolarHBondContact O-N 3.11Å; L1000-T1003 PolarHBondContact O-OG1 3.09Å; L1000-T1003 VanDerWaalsContact O-OG1 3.05Å; L1000-M1004 HydrophobicContact CD1-CG 4.34Å; L1000-M1004 HydrophobicContact CD1-SD 4.45Å; L1000-M1004 HydrophobicContact CG-CE 4.22Å; L1000-M1004 WeakPolarHBondContact O-CG 3.35Å; L1000-M1004 PolarHBondContact O-N 3.35Å; L1000-R1034 HydrophobicContact CD2-CG 4.12Å; L1000-V1037 HydrophobicContact CD1-CG1 3.87Å; L1000-W1041 HydrophobicContact CD1-CH2 4.27Å; L1000-W1041 HydrophobicContact CD1-CZ3 3.92Å; L1000-F1122 HydrophobicContact CD1-CZ 4.49Å
1001E90.8Very high89.4Confident10 Ų1031 Ų315%0.04715%0.152CC..Hα-helixtrans-62.6-43.1177-59.790.814300110.8F998 I1005 R1034 V1309 R1313F998-E1001 VanDerWaalsContact C-OE2 3.27Å; F998-E1001 WeakPolarHBondContact CA-OE2 3.46Å; F998-E1001 PolarHBondContact O-N 3.32Å; E1001-I1005 WeakPolarHBondContact O-CG1 3.34Å; E1001-I1005 PolarHBondContact O-N 2.85Å; E1001-R1034 IonicContact OE2-NH1 2.66Å; E1001-V1309 HydrophobicContact CB-CG1 4.16Å; E1001-V1309 HydrophobicContact CG-CG1 4.14Å; E1001-R1313 WeakPolarHBondContact OE1-CD 3.3Å; E1001-R1313 IonicContact OE1-CZ 3.64Å; E1001-R1313 IonicContact OE1-NE 3.64Å; E1001-R1313 PolarHBondContact OE1-NE 2.73Å; E1001-R1313 IonicContact OE1-NH2 3.01Å
1002I91.1Very high89.7Confident64 Ų6430.7 Ų30.733%0.32815%0.148SC..Hα-helixtrans-64.5-40.3175-68164.5000111.9F995 F998 I1005 A1006F995-I1002 HydrophobicContact CD2-CD1 4.19Å; F995-I1002 HydrophobicContact CE2-CG2 4.33Å; F998-I1002 HydrophobicContact CB-CD1 4.08Å; F998-I1002 HydrophobicContact CB-CG1 4.46Å; F998-I1002 VanDerWaalsContact O-CG1 3.31Å; F998-I1002 WeakPolarHBondContact O-CG1 3.25Å; F998-I1002 PolarHBondContact O-N 3.43Å; I1002-I1005 PolarHBondContact O-N 2.84Å; I1002-A1006 PolarHBondContact O-N 3.27Å
1003T92.4Very high89.9Confident4 Ų432.7 Ų32.73%0.02516%0.159CC..Hα-helixtrans-72.9-35.6-179.8410000112.9G999 L1000 I1005 A1006 I1007 W1041 L1114 Q1118G999-T1003 WeakPolarHBondContact O-CB 3.25Å; G999-T1003 WeakPolarHBondContact O-CG2 3.38Å; G999-T1003 PolarHBondContact O-N 2.59Å; G999-T1003 PolarHBondContact O-OG1 2.99Å; L1000-T1003 WeakPolarHBondContact CA-OG1 3.4Å; L1000-T1003 PolarHBondContact O-N 3.11Å; L1000-T1003 PolarHBondContact O-OG1 3.09Å; L1000-T1003 VanDerWaalsContact O-OG1 3.05Å; T1003-I1005 VanDerWaalsContact C-N 3.34Å; T1003-A1006 PolarHBondContact O-N 3.27Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.46Å; T1003-I1007 PolarHBondContact O-N 3.11Å; T1003-W1041 HydrophobicContact CG2-CH2 4.4Å; T1003-W1041 HydrophobicContact CG2-CZ2 4.05Å; T1003-W1041 WeakPolarHBondContact OG1-CH2 3.33Å; T1003-L1114 HydrophobicContact CG2-CB 3.7Å; T1003-Q1118 HydrophobicContact CG2-CB 4.23Å
1004M92.2Very high90Very high18 Ų1830.5 Ų30.59%0.08915%0.15CC..Hα-helixtrans-63.7-38.6171.4-69.3-175.2-58.900112.2L1000 I1007 G1008 L1026 F1029 A1030 V1309L1000-M1004 HydrophobicContact CD1-CG 4.34Å; L1000-M1004 HydrophobicContact CD1-SD 4.45Å; L1000-M1004 HydrophobicContact CG-CE 4.22Å; L1000-M1004 WeakPolarHBondContact O-CG 3.35Å; L1000-M1004 PolarHBondContact O-N 3.35Å; M1004-I1007 PolarHBondContact O-N 2.9Å; M1004-G1008 PolarHBondContact O-N 2.96Å; M1004-L1026 HydrophobicContact CB-CD1 4.06Å; M1004-L1026 HydrophobicContact CG-CD1 4.49Å; M1004-F1029 HydrophobicContact CG-CB 4.24Å; M1004-F1029 HydrophobicContact SD-CB 3.99Å; M1004-A1030 HydrophobicContact SD-CB 4.41Å; M1004-V1309 HydrophobicContact CE-CG1 3.88Å
1005I92.4Very high90.1Very high29 Ų2930.7 Ų30.715%0.14915%0.149CC..Hα-helixtrans-66.8-40174.5-67.5168000111E1001 I1002 T1003 I1007 G1008 I1009 F1310E1001-I1005 WeakPolarHBondContact O-CG1 3.34Å; E1001-I1005 PolarHBondContact O-N 2.85Å; I1002-I1005 PolarHBondContact O-N 2.84Å; T1003-I1005 VanDerWaalsContact C-N 3.34Å; I1005-I1007 VanDerWaalsContact C-N 3.34Å; I1005-I1007 PolarHBondContact O-N 2.95Å; I1005-G1008 PolarHBondContact O-N 3.43Å; I1005-G1008 VanDerWaalsContact O-N 3.16Å; I1005-I1009 HydrophobicContact CG2-CD1 4.01Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.35Å; I1005-I1009 PolarHBondContact O-N 3.26Å; I1005-F1310 HydrophobicContact CD1-CD2 4.23Å; I1005-F1310 HydrophobicContact CD1-CE2 3.62Å; I1005-F1310 HydrophobicContact CD1-CZ 4.39Å
1006A92.5Very high90Very high18 Ų1827.9 Ų27.915%0.14914%0.137CC..Hα-helixtrans-61.3-4017500000112.5I1002 T1003 I1009 D1010 L1114I1002-A1006 PolarHBondContact O-N 3.27Å; T1003-A1006 PolarHBondContact O-N 3.27Å; A1006-I1009 PolarHBondContact O-N 2.89Å; A1006-D1010 PolarHBondContact O-N 3.39Å; A1006-L1114 HydrophobicContact CB-CD1 3.83Å
1007I93.9Very high90.1Very high1 Ų126.7 Ų26.71%0.00514%0.137CC..Hα-helixtrans-63.5-41.7173.1-66.5165.4000110.8T1003 M1004 I1005 I1009 D1010 I1011 Q1022 L1026 F1029 Y1044 V1111T1003-I1007 WeakPolarHBondContact O-CG1 3.46Å; T1003-I1007 PolarHBondContact O-N 3.11Å; M1004-I1007 PolarHBondContact O-N 2.9Å; I1005-I1007 VanDerWaalsContact C-N 3.34Å; I1005-I1007 PolarHBondContact O-N 2.95Å; I1007-I1009 VanDerWaalsContact C-N 3.3Å; I1007-I1009 PolarHBondContact O-N 2.92Å; I1007-D1010 PolarHBondContact O-N 3.3Å; I1007-I1011 HydrophobicContact CG2-CD1 3.84Å; I1007-I1011 HydrophobicContact CG2-CG1 4.46Å; I1007-I1011 WeakPolarHBondContact O-CD1 3.45Å; I1007-I1011 VanDerWaalsContact O-CG1 3.24Å; I1007-I1011 WeakPolarHBondContact O-CG1 3.34Å; I1007-I1011 PolarHBondContact O-N 2.94Å; I1007-Q1022 HydrophobicContact CG2-CB 4.22Å; I1007-L1026 HydrophobicContact CG2-CB 4.04Å; I1007-L1026 HydrophobicContact CG2-CD1 4.4Å; I1007-F1029 HydrophobicContact CD1-CD2 4.1Å; I1007-F1029 HydrophobicContact CD1-CE2 4.02Å; I1007-Y1044 HydrophobicContact CD1-CE1 4.17Å; I1007-Y1044 WeakPolarHBondContact CG1-OH 3.48Å; I1007-V1111 HydrophobicContact CG1-CG1 4.3Å
1008G92.3Very high90.3Very high2 Ų225.8 Ų25.82%0.02113%0.134CC..Hα-helixtrans-61.3-34.2174.500000114.1M1004 I1005 F1012 V1302M1004-G1008 PolarHBondContact O-N 2.96Å; I1005-G1008 PolarHBondContact O-N 3.43Å; I1005-G1008 VanDerWaalsContact O-N 3.16Å; G1008-F1012 PolarHBondContact O-N 3.44Å; G1008-V1302 WeakPolarHBondContact O-CG2 3.29Å
1009I92.1Very high90.4Very high83 Ų8322.1 Ų22.143%0.42612%0.118SC..Hα-helixtrans-73.7-39.6175.5-67.2164.6000111.3I1005 A1006 I1007 F1012 N1013 V1302I1005-I1009 HydrophobicContact CG2-CD1 4.01Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.35Å; I1005-I1009 PolarHBondContact O-N 3.26Å; A1006-I1009 PolarHBondContact O-N 2.89Å; I1007-I1009 VanDerWaalsContact C-N 3.3Å; I1007-I1009 PolarHBondContact O-N 2.92Å; I1009-F1012 PolarHBondContact O-N 2.84Å; I1009-N1013 PolarHBondContact O-N 2.97Å; I1009-V1302 HydrophobicContact CG1-CG1 4.42Å
1010D91.7Very high90.4Very high3 Ų323.5 Ų23.52%0.01613%0.129CC..Hα-helixtrans-61.8-47.5176-173.262.8000111.5A1006 I1007 F1012 N1013 R1014 V1111A1006-D1010 PolarHBondContact O-N 3.39Å; I1007-D1010 PolarHBondContact O-N 3.3Å; D1010-F1012 VanDerWaalsContact C-N 3.28Å; D1010-F1012 PolarHBondContact O-N 3.46Å; D1010-N1013 PolarHBondContact O-N 3.44Å; D1010-N1013 VanDerWaalsContact O-N 3.16Å; D1010-R1014 WeakPolarHBondContact O-CB 3.41Å; D1010-R1014 WeakPolarHBondContact O-CG 3.43Å; D1010-R1014 PolarHBondContact O-N 2.87Å; D1010-R1014 WeakPolarHBondContact OD2-CD 3.01Å; D1010-V1111 HydrophobicContact CB-CG2 4.05Å
1011I92.3Very high90.5Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-54.3-44.1173.7-67.8161.4000111.4I1007 R1014 M1015 A1019 Q1022 C1023 L1026 I1233 V1237 I1298I1007-I1011 HydrophobicContact CG2-CD1 3.84Å; I1007-I1011 HydrophobicContact CG2-CG1 4.46Å; I1007-I1011 WeakPolarHBondContact O-CD1 3.45Å; I1007-I1011 VanDerWaalsContact O-CG1 3.24Å; I1007-I1011 WeakPolarHBondContact O-CG1 3.34Å; I1007-I1011 PolarHBondContact O-N 2.94Å; I1011-R1014 PolarHBondContact O-N 3.41Å; I1011-M1015 PolarHBondContact O-N 3.2Å; I1011-A1019 HydrophobicContact CB-CB 4.47Å; I1011-A1019 HydrophobicContact CG2-CB 4.25Å; I1011-Q1022 HydrophobicContact CD1-CB 3.97Å; I1011-Q1022 HydrophobicContact CG1-CB 3.62Å; I1011-C1023 VanDerWaalsContact CG2-SG 3.58Å; I1011-L1026 HydrophobicContact CD1-CB 4.3Å; I1011-L1026 HydrophobicContact CD1-CD2 3.72Å; I1011-I1233 HydrophobicContact CG2-CG2 4.29Å; I1011-V1237 HydrophobicContact CG2-CG2 3.85Å; I1011-I1298 HydrophobicContact CG2-CD1 3.71Å
1012F90.1Very high90.6Very high81 Ų8126.1 Ų26.136%0.35514%0.143SC..Hα-helixtrans-66-37.3179.7167.2-119.7000113.3G1008 I1009 D1010 M1015 I1298 V1302G1008-F1012 PolarHBondContact O-N 3.44Å; I1009-F1012 PolarHBondContact O-N 2.84Å; D1010-F1012 VanDerWaalsContact C-N 3.28Å; D1010-F1012 PolarHBondContact O-N 3.46Å; F1012-M1015 WeakPolarHBondContact O-CG 3.34Å; F1012-I1298 HydrophobicContact CB-CD1 3.93Å; F1012-I1298 HydrophobicContact CB-CG1 3.86Å; F1012-I1298 HydrophobicContact CD2-CG1 3.73Å; F1012-I1298 HydrophobicContact CG-CG1 4.24Å; F1012-V1302 HydrophobicContact CB-CG2 4.39Å
1013N87.6Confident90.6Very high75 Ų7523.1 Ų23.140%0.40113%0.128SC..Hα-helixtrans-72.9-39.5177-69.3-18.3000111.9I1009 D1010 Y1104I1009-N1013 PolarHBondContact O-N 2.97Å; D1010-N1013 PolarHBondContact O-N 3.44Å; D1010-N1013 VanDerWaalsContact O-N 3.16Å; N1013-Y1104 WeakPolarHBondContact O-CE1 3.32Å
1014R87.3Confident90.6Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-81.6-52.8-172-68.7-175.968.5116.927113.7D1010 I1011 D1016 A1019 Q1055 Y1104 D1108D1010-R1014 WeakPolarHBondContact O-CB 3.41Å; D1010-R1014 WeakPolarHBondContact O-CG 3.43Å; D1010-R1014 PolarHBondContact O-N 2.87Å; D1010-R1014 WeakPolarHBondContact OD2-CD 3.01Å; I1011-R1014 PolarHBondContact O-N 3.41Å; R1014-D1016 WeakPolarHBondContact CB-OD1 3.34Å; R1014-D1016 IonicContact CZ-OD1 2.69Å; R1014-D1016 IonicContact CZ-OD2 2.82Å; R1014-D1016 IonicContact NE-OD1 3.68Å; R1014-D1016 PolarHBondContact NE-OD1 3.01Å; R1014-D1016 IonicContact NE-OD2 3.72Å; R1014-D1016 PolarHBondContact NE-OD2 3.45Å; R1014-D1016 IonicContact NH2-OD1 2.67Å; R1014-D1016 IonicContact NH2-OD2 3.54Å; R1014-D1016 PolarHBondContact NH2-OD2 3.05Å; R1014-D1016 PolarHBondContact O-N 2.88Å; R1014-A1019 HydrophobicContact CB-CB 3.94Å; R1014-Q1055 VanDerWaalsContact NH1-NE2 3.18Å; R1014-Y1104 HydrophobicContact CG-CD1 4.2Å; R1014-Y1104 HydrophobicContact CG-CG 4.35Å; R1014-D1108 IonicContact CZ-OD2 3.21Å; R1014-D1108 IonicContact NH1-OD1 2.8Å; R1014-D1108 PolarHBondContact NH1-OD1 2.91Å; R1014-D1108 IonicContact NH1-OD2 2.79Å; R1014-D1108 PolarHBondContact NH1-OD2 3.2Å
1015M86.7Confident90.6Very high11 Ų1131 Ų315%0.05416%0.16CC..  trans4929.7-176.8-62.4-69.1-67.100114.9I1011 F1012 V1237 Q1240 I1298I1011-M1015 PolarHBondContact O-N 3.2Å; F1012-M1015 WeakPolarHBondContact O-CG 3.34Å; M1015-V1237 HydrophobicContact CE-CG2 4.18Å; M1015-V1237 HydrophobicContact SD-CG2 3.87Å; M1015-Q1240 HydrophobicContact CB-CG 4.45Å; M1015-Q1240 HydrophobicContact CE-CB 4.26Å; M1015-Q1240 HydrophobicContact CE-CG 4.3Å; M1015-I1298 HydrophobicContact CE-CG2 4.13Å; M1015-I1298 HydrophobicContact SD-CD1 3.97Å; M1015-I1298 HydrophobicContact SD-CG1 3.95Å; M1015-I1298 HydrophobicContact SD-CG2 4.21Å
1016D86.9Confident90.7Very high2 Ų229.7 Ų29.71%0.01115%0.153CC..SBendtrans-112-174.2-175.269-9.4000112.6R1014 L1018 A1019 A1020R1014-D1016 WeakPolarHBondContact CB-OD1 3.34Å; R1014-D1016 IonicContact CZ-OD1 2.69Å; R1014-D1016 IonicContact CZ-OD2 2.82Å; R1014-D1016 IonicContact NE-OD1 3.68Å; R1014-D1016 PolarHBondContact NE-OD1 3.01Å; R1014-D1016 IonicContact NE-OD2 3.72Å; R1014-D1016 PolarHBondContact NE-OD2 3.45Å; R1014-D1016 IonicContact NH2-OD1 2.67Å; R1014-D1016 IonicContact NH2-OD2 3.54Å; R1014-D1016 PolarHBondContact NH2-OD2 3.05Å; R1014-D1016 PolarHBondContact O-N 2.88Å; D1016-L1018 VanDerWaalsContact C-N 3.26Å; D1016-L1018 PolarHBondContact O-N 3.42Å; D1016-L1018 PolarHBondContact OD1-N 3.08Å; D1016-A1019 WeakPolarHBondContact O-CB 3.4Å; D1016-A1019 PolarHBondContact O-N 3.39Å; D1016-A1019 WeakPolarHBondContact OD1-CB 3.3Å; D1016-A1019 PolarHBondContact OD1-N 3.47Å; D1016-A1020 PolarHBondContact O-N 3.4Å
1017A87.8Confident90.7Very high23 Ų2330.9 Ų30.919%0.1916%0.159CC..Hα-helixtrans-62.6-30.6176.600000113.2A1020 I1021 L1090 L1091A1017-A1020 WeakPolarHBondContact O-CB 3.34Å; A1017-A1020 PolarHBondContact O-N 3.09Å; A1017-I1021 WeakPolarHBondContact O-CG1 3.02Å; A1017-I1021 PolarHBondContact O-N 3.03Å; A1017-L1090 VanDerWaalsContact CB-O 3.23Å; A1017-L1090 WeakPolarHBondContact CB-O 3.5Å; A1017-L1090 PolarHBondContact N-O 2.85Å; A1017-L1091 HydrophobicContact CB-CD2 4.18Å
1018L89.5Confident90.5Very high26 Ų2632.5 Ų32.514%0.13617%0.167CC..Hα-helixtrans-72.9-35.9174.3-77.9164.9000111.3D1016 A1020 I1021 Q1022 L1051 N1092D1016-L1018 VanDerWaalsContact C-N 3.26Å; D1016-L1018 PolarHBondContact O-N 3.42Å; D1016-L1018 PolarHBondContact OD1-N 3.08Å; L1018-A1020 VanDerWaalsContact C-N 3.31Å; L1018-A1020 PolarHBondContact O-N 3.38Å; L1018-I1021 HydrophobicContact CD2-CD1 4.3Å; L1018-I1021 CarbonylContact O-C 3.55Å; L1018-I1021 WeakPolarHBondContact O-CB 3.3Å; L1018-I1021 PolarHBondContact O-N 3.45Å; L1018-I1021 VanDerWaalsContact O-N 3.12Å; L1018-Q1022 WeakPolarHBondContact O-CG 3.46Å; L1018-Q1022 PolarHBondContact O-N 3.26Å; L1018-L1051 HydrophobicContact CD1-CD1 4.27Å; L1018-L1051 HydrophobicContact CD2-CD1 3.95Å; L1018-L1051 HydrophobicContact CD2-CD2 4.38Å; L1018-N1092 HydrophobicContact CD1-CB 4.2Å
1019A90.2Very high90.5Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-60.3-39.8169.900000111.6I1011 R1014 D1016 I1021 Q1022 C1023 V1237I1011-A1019 HydrophobicContact CB-CB 4.47Å; I1011-A1019 HydrophobicContact CG2-CB 4.25Å; R1014-A1019 HydrophobicContact CB-CB 3.94Å; D1016-A1019 WeakPolarHBondContact O-CB 3.4Å; D1016-A1019 PolarHBondContact O-N 3.39Å; D1016-A1019 WeakPolarHBondContact OD1-CB 3.3Å; D1016-A1019 PolarHBondContact OD1-N 3.47Å; A1019-I1021 VanDerWaalsContact C-N 3.31Å; A1019-I1021 PolarHBondContact O-N 3.35Å; A1019-Q1022 CarbonylContact O-C 3.5Å; A1019-Q1022 PolarHBondContact O-N 2.8Å; A1019-C1023 PolarHBondContact O-N 2.99Å; A1019-C1023 PolarHBondContact O-SG 3.44Å; A1019-V1237 HydrophobicContact CB-CG1 4.3Å
1020A90Very high90.4Very high29 Ų2929.7 Ų29.724%0.2416%0.155CC..Hα-helixtrans-62.2-37173.400000112.4D1016 A1017 L1018 C1023 F1024 V1237D1016-A1020 PolarHBondContact O-N 3.4Å; A1017-A1020 WeakPolarHBondContact O-CB 3.34Å; A1017-A1020 PolarHBondContact O-N 3.09Å; L1018-A1020 VanDerWaalsContact C-N 3.31Å; L1018-A1020 PolarHBondContact O-N 3.38Å; A1020-C1023 WeakPolarHBondContact O-CB 3.34Å; A1020-C1023 PolarHBondContact O-N 3.18Å; A1020-F1024 PolarHBondContact O-N 3.45Å; A1020-V1237 HydrophobicContact CB-CG1 4.01Å
1021I91.2Very high90.2Very high79 Ų7934.4 Ų34.441%0.40518%0.18SC..Hα-helixtrans-69.2-39.3172.8-66.5165.1000111A1017 L1018 A1019 C1023 F1024 W1025A1017-I1021 WeakPolarHBondContact O-CG1 3.02Å; A1017-I1021 PolarHBondContact O-N 3.03Å; L1018-I1021 HydrophobicContact CD2-CD1 4.3Å; L1018-I1021 CarbonylContact O-C 3.55Å; L1018-I1021 WeakPolarHBondContact O-CB 3.3Å; L1018-I1021 PolarHBondContact O-N 3.45Å; L1018-I1021 VanDerWaalsContact O-N 3.12Å; A1019-I1021 VanDerWaalsContact C-N 3.31Å; A1019-I1021 PolarHBondContact O-N 3.35Å; I1021-C1023 VanDerWaalsContact C-N 3.33Å; I1021-C1023 PolarHBondContact O-N 3.36Å; I1021-F1024 WeakPolarHBondContact O-CB 3.47Å; I1021-F1024 PolarHBondContact O-N 3.4Å; I1021-W1025 PolarHBondContact O-N 3.28Å
1022Q91.8Very high89.8Confident1 Ų137.9 Ų37.91%0.00520%0.198CC..Hα-helixtrans-65.3-33.5172.9-63.6-66.927.900112.3I1007 I1011 L1018 A1019 F1024 W1025 L1026 Y1044 M1048I1007-Q1022 HydrophobicContact CG2-CB 4.22Å; I1011-Q1022 HydrophobicContact CD1-CB 3.97Å; I1011-Q1022 HydrophobicContact CG1-CB 3.62Å; L1018-Q1022 WeakPolarHBondContact O-CG 3.46Å; L1018-Q1022 PolarHBondContact O-N 3.26Å; A1019-Q1022 CarbonylContact O-C 3.5Å; A1019-Q1022 PolarHBondContact O-N 2.8Å; Q1022-F1024 VanDerWaalsContact C-N 3.31Å; Q1022-F1024 PolarHBondContact O-N 2.84Å; Q1022-W1025 PolarHBondContact O-N 2.94Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.28Å; Q1022-L1026 PolarHBondContact O-N 3.17Å; Q1022-Y1044 PolarHBondContact OE1-OH 3.12Å; Q1022-M1048 PolarHBondContact NE2-SD 2.77Å
1023C92.4Very high89.4Confident1 Ų141 Ų411%0.00721%0.212CC..Hα-helixtrans-58.7-42.7171.4-68.40000111.3I1011 A1019 A1020 I1021 L1026 V1027 T1234I1011-C1023 VanDerWaalsContact CG2-SG 3.58Å; A1019-C1023 PolarHBondContact O-N 2.99Å; A1019-C1023 PolarHBondContact O-SG 3.44Å; A1020-C1023 WeakPolarHBondContact O-CB 3.34Å; A1020-C1023 PolarHBondContact O-N 3.18Å; I1021-C1023 VanDerWaalsContact C-N 3.33Å; I1021-C1023 PolarHBondContact O-N 3.36Å; C1023-L1026 PolarHBondContact O-N 3.41Å; C1023-V1027 WeakPolarHBondContact O-CB 3.39Å; C1023-V1027 VanDerWaalsContact O-CG2 3.28Å; C1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; C1023-V1027 PolarHBondContact O-N 2.9Å; C1023-T1234 HydrophobicContact CB-CG2 4.37Å
1024F92.1Very high89.3Confident139 Ų13939.3 Ų39.361%0.6120%0.2SC*.Hα-helixtrans-62.2-43.7176.2-178.9-96.5000112A1020 I1021 Q1022 V1027 L1028A1020-F1024 PolarHBondContact O-N 3.45Å; I1021-F1024 WeakPolarHBondContact O-CB 3.47Å; I1021-F1024 PolarHBondContact O-N 3.4Å; Q1022-F1024 VanDerWaalsContact C-N 3.31Å; Q1022-F1024 PolarHBondContact O-N 2.84Å; F1024-V1027 PolarHBondContact O-N 3.12Å; F1024-L1028 HydrophobicContact CE1-CD1 4.12Å; F1024-L1028 HydrophobicContact CZ-CD1 4.48Å; F1024-L1028 VanDerWaalsContact O-CB 3.31Å; F1024-L1028 WeakPolarHBondContact O-CB 3.41Å; F1024-L1028 PolarHBondContact O-N 3.32Å
1025W92.8Very high89.1Confident47 Ų4742.4 Ų42.418%0.17822%0.219CC..Hα-helixtrans-61.8-43.1173.1-73.3118.7000112.6I1021 Q1022 L1028 F1029 I1040 Y1044 Y1047I1021-W1025 PolarHBondContact O-N 3.28Å; Q1022-W1025 PolarHBondContact O-N 2.94Å; W1025-L1028 HydrophobicContact CZ3-CD1 4.49Å; W1025-L1028 PolarHBondContact O-N 2.94Å; W1025-F1029 HydrophobicContact CB-CE2 3.98Å; W1025-F1029 HydrophobicContact CB-CZ 4.34Å; W1025-F1029 HydrophobicContact CD2-CZ 4.38Å; W1025-F1029 HydrophobicContact CE3-CE1 4.03Å; W1025-F1029 AromaticContact CE3-CZ 3.74Å; W1025-F1029 HydrophobicContact CE3-CZ 3.74Å; W1025-F1029 HydrophobicContact CZ3-CZ 4.47Å; W1025-F1029 WeakPolarHBondContact O-CD2 3.48Å; W1025-F1029 WeakPolarHBondContact O-CG 3.48Å; W1025-F1029 PolarHBondContact O-N 3.31Å; W1025-I1040 HydrophobicContact CZ3-CG2 3.75Å; W1025-Y1044 HydrophobicContact CB-CD2 4.47Å; W1025-Y1044 HydrophobicContact CB-CE2 4.17Å; W1025-Y1044 AromaticContact CD1-CE2 4Å; W1025-Y1044 AromaticContact CD2-CD2 3.95Å; W1025-Y1044 HydrophobicContact CD2-CD2 3.95Å; W1025-Y1044 HydrophobicContact CD2-CE2 4.39Å; W1025-Y1044 HydrophobicContact CE3-CD2 4.38Å; W1025-Y1044 AromaticContact CG-CD2 3.99Å; W1025-Y1044 HydrophobicContact CG-CD2 3.99Å; W1025-Y1044 AromaticContact CG-CE2 3.94Å; W1025-Y1044 HydrophobicContact CG-CE2 3.94Å; W1025-Y1047 AromaticContact NE1-CE1 3.96Å
1026L93.3Very high89.2Confident3 Ų346.5 Ų46.52%0.01624%0.236CC..Hα-helixtrans-62.6-44.6178.4-177.960.5000112.1M1004 I1007 I1011 Q1022 C1023 F1029 A1030 L1230 L1305M1004-L1026 HydrophobicContact CB-CD1 4.06Å; M1004-L1026 HydrophobicContact CG-CD1 4.49Å; I1007-L1026 HydrophobicContact CG2-CB 4.04Å; I1007-L1026 HydrophobicContact CG2-CD1 4.4Å; I1011-L1026 HydrophobicContact CD1-CB 4.3Å; I1011-L1026 HydrophobicContact CD1-CD2 3.72Å; Q1022-L1026 WeakPolarHBondContact O-CB 3.28Å; Q1022-L1026 PolarHBondContact O-N 3.17Å; C1023-L1026 PolarHBondContact O-N 3.41Å; L1026-F1029 PolarHBondContact O-N 3.21Å; L1026-A1030 VanDerWaalsContact O-CB 3.22Å; L1026-A1030 WeakPolarHBondContact O-CB 3.32Å; L1026-A1030 PolarHBondContact O-N 3.26Å; L1026-L1230 HydrophobicContact CD2-CD2 4.32Å; L1026-L1230 HydrophobicContact CG-CD2 4.06Å; L1026-L1305 HydrophobicContact CD2-CD2 3.91Å
1027V92Very high89.3Confident42 Ų4246.4 Ų46.426%0.25524%0.236SC..Hα-helixtrans-59.6-45.8172.8169.90000110.7C1023 F1024 F1029 A1030 L1031 L1230C1023-V1027 WeakPolarHBondContact O-CB 3.39Å; C1023-V1027 VanDerWaalsContact O-CG2 3.28Å; C1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; C1023-V1027 PolarHBondContact O-N 2.9Å; F1024-V1027 PolarHBondContact O-N 3.12Å; V1027-F1029 VanDerWaalsContact C-N 3.34Å; V1027-F1029 PolarHBondContact O-N 3.39Å; V1027-A1030 PolarHBondContact O-N 3.01Å; V1027-L1031 HydrophobicContact CG1-CD1 3.83Å; V1027-L1031 WeakPolarHBondContact O-CB 3.48Å; V1027-L1031 WeakPolarHBondContact O-CG 3.3Å; V1027-L1031 PolarHBondContact O-N 3.49Å; V1027-L1031 VanDerWaalsContact O-N 3.16Å; V1027-L1230 HydrophobicContact CG2-CB 4.2Å; V1027-L1230 HydrophobicContact CG2-CD2 4.49Å
1028L91.4Very high89.4Confident35 Ų3549.7 Ų49.718%0.18324%0.244CC..Hα-helixtrans-63.8-36.6179.3-173152.4000112.3F1024 W1025 N1032 F1036 I1040F1024-L1028 HydrophobicContact CE1-CD1 4.12Å; F1024-L1028 HydrophobicContact CZ-CD1 4.48Å; F1024-L1028 VanDerWaalsContact O-CB 3.31Å; F1024-L1028 WeakPolarHBondContact O-CB 3.41Å; F1024-L1028 PolarHBondContact O-N 3.32Å; W1025-L1028 HydrophobicContact CZ3-CD1 4.49Å; W1025-L1028 PolarHBondContact O-N 2.94Å; L1028-N1032 WeakPolarHBondContact O-CB 3.46Å; L1028-N1032 PolarHBondContact O-ND2 2.87Å; L1028-F1036 HydrophobicContact CD2-CE1 4.27Å; L1028-I1040 HydrophobicContact CD2-CD1 4.01Å; L1028-I1040 HydrophobicContact CD2-CG2 4.32Å
1029F91.7Very high89.3Confident5 Ų557.8 Ų57.82%0.02227%0.272CS..Hα-helixtrans-78-41.4177.1-59.5-31.7000113M1004 I1007 W1025 L1026 V1027 V1037 I1040 W1041 Y1044M1004-F1029 HydrophobicContact CG-CB 4.24Å; M1004-F1029 HydrophobicContact SD-CB 3.99Å; I1007-F1029 HydrophobicContact CD1-CD2 4.1Å; I1007-F1029 HydrophobicContact CD1-CE2 4.02Å; W1025-F1029 HydrophobicContact CB-CE2 3.98Å; W1025-F1029 HydrophobicContact CB-CZ 4.34Å; W1025-F1029 HydrophobicContact CD2-CZ 4.38Å; W1025-F1029 HydrophobicContact CE3-CE1 4.03Å; W1025-F1029 AromaticContact CE3-CZ 3.74Å; W1025-F1029 HydrophobicContact CE3-CZ 3.74Å; W1025-F1029 HydrophobicContact CZ3-CZ 4.47Å; W1025-F1029 WeakPolarHBondContact O-CD2 3.48Å; W1025-F1029 WeakPolarHBondContact O-CG 3.48Å; W1025-F1029 PolarHBondContact O-N 3.31Å; L1026-F1029 PolarHBondContact O-N 3.21Å; V1027-F1029 VanDerWaalsContact C-N 3.34Å; V1027-F1029 PolarHBondContact O-N 3.39Å; F1029-V1037 HydrophobicContact CB-CG1 4.5Å; F1029-V1037 HydrophobicContact CD1-CG1 3.79Å; F1029-V1037 HydrophobicContact CD1-CG2 4.39Å; F1029-V1037 HydrophobicContact CE1-CG1 4.38Å; F1029-V1037 HydrophobicContact CG-CG1 4.3Å; F1029-I1040 HydrophobicContact CE1-CG2 4.17Å; F1029-W1041 HydrophobicContact CD1-CZ3 4.48Å; F1029-W1041 AromaticContact CD2-CZ3 3.94Å; F1029-W1041 HydrophobicContact CD2-CZ3 3.94Å; F1029-W1041 HydrophobicContact CE1-CE3 4.29Å; F1029-W1041 HydrophobicContact CE1-CZ3 4.38Å; F1029-W1041 HydrophobicContact CE2-CE3 4.39Å; F1029-W1041 AromaticContact CE2-CZ3 3.82Å; F1029-W1041 HydrophobicContact CE2-CZ3 3.82Å; F1029-W1041 HydrophobicContact CG-CZ3 4.29Å; F1029-W1041 HydrophobicContact CZ-CE3 4.17Å; F1029-W1041 HydrophobicContact CZ-CZ3 4.06Å; F1029-Y1044 HydrophobicContact CE2-CD1 4.49Å; F1029-Y1044 HydrophobicContact CE2-CD2 4.01Å; F1029-Y1044 HydrophobicContact CE2-CE2 4.21Å; F1029-Y1044 HydrophobicContact CE2-CG 4.17Å; F1029-Y1044 AromaticContact CZ-CD2 3.85Å; F1029-Y1044 HydrophobicContact CZ-CD2 3.85Å; F1029-Y1044 HydrophobicContact CZ-CE2 4.49Å; F1029-Y1044 AromaticContact CZ-CG 3.87Å; F1029-Y1044 HydrophobicContact CZ-CG 3.87Å
1030A89.3Confident89.4Confident22 Ų2259.3 Ų59.318%0.18228%0.28CS..Hα-helixtrans-74.9-30.4-173.600000114.2M1004 L1026 V1027 L1230M1004-A1030 HydrophobicContact SD-CB 4.41Å; L1026-A1030 VanDerWaalsContact O-CB 3.22Å; L1026-A1030 WeakPolarHBondContact O-CB 3.32Å; L1026-A1030 PolarHBondContact O-N 3.26Å; V1027-A1030 PolarHBondContact O-N 3.01Å; A1030-L1230 HydrophobicContact CB-CD1 3.77Å; A1030-L1230 HydrophobicContact CB-CD2 4.36Å
1031L87.1Confident89.5Confident101 Ų10158 Ų5853%0.52927%0.269SS..SBendtrans-90.3-8.8-178.5-61.6-178.2000114.4V1027 L1230V1027-L1031 HydrophobicContact CG1-CD1 3.83Å; V1027-L1031 WeakPolarHBondContact O-CB 3.48Å; V1027-L1031 WeakPolarHBondContact O-CG 3.3Å; V1027-L1031 PolarHBondContact O-N 3.49Å; V1027-L1031 VanDerWaalsContact O-N 3.16Å; L1031-L1230 HydrophobicContact CD2-CD1 3.93Å; L1031-L1230 HydrophobicContact CG-CD1 4.13Å
1032N85.1Confident89.4Confident73 Ų7356.9 Ų56.939%0.3927%0.266SS..SBendtrans-108.8156.6-173.4-79.1-64.5000114.3L1028 F1036 V1037L1028-N1032 WeakPolarHBondContact O-CB 3.46Å; L1028-N1032 PolarHBondContact O-ND2 2.87Å; N1032-F1036 HydrophobicContact CB-CD1 3.68Å; N1032-F1036 HydrophobicContact CB-CE1 4.29Å; N1032-F1036 HydrophobicContact CB-CG 4.48Å; N1032-V1037 HydrophobicContact CB-CG2 4.37Å
1033K80.7Confident89.5Confident148 Ų14863.4 Ų63.464%0.64330%0.295SS*.  trans-66.5142176.7-65.5-168.9177-168.70111.6V1035 F1036 V1037 N1134K1033-V1035 PolarHBondContact O-N 2.76Å; K1033-F1036 WeakPolarHBondContact O-CB 3.45Å; K1033-F1036 PolarHBondContact O-N 2.88Å; K1033-V1037 PolarHBondContact O-N 3.35Å; K1033-N1134 PolarHBondContact NZ-O 2.93Å
1034R85Confident89.5Confident39 Ų3963.4 Ų63.415%0.14729%0.294CS..Hα-helixtrans-45.3-39179.7-172.3178.5-178.6103.44.6114.4L1000 E1001 F1036 V1037 R1038 E1125 N1129L1000-R1034 HydrophobicContact CD2-CG 4.12Å; E1001-R1034 IonicContact OE2-NH1 2.66Å; R1034-F1036 VanDerWaalsContact C-N 3.33Å; R1034-F1036 PolarHBondContact O-N 3.23Å; R1034-V1037 PolarHBondContact O-N 3.31Å; R1034-R1038 WeakPolarHBondContact O-CB 3.42Å; R1034-R1038 PolarHBondContact O-N 2.89Å; R1034-E1125 IonicContact CZ-OE1 3.69Å; R1034-E1125 IonicContact CZ-OE2 2.67Å; R1034-E1125 IonicContact NE-OE1 3.15Å; R1034-E1125 PolarHBondContact NE-OE1 3.04Å; R1034-E1125 IonicContact NE-OE2 3.34Å; R1034-E1125 VanDerWaalsContact NH2-CD 3.27Å; R1034-E1125 IonicContact NH2-OE1 3.35Å; R1034-E1125 PolarHBondContact NH2-OE1 3.45Å; R1034-E1125 IonicContact NH2-OE2 3.96Å; R1034-E1125 PolarHBondContact NH2-OE2 2.72Å; R1034-N1129 PolarHBondContact NH2-ND2 2.81Å
1035V83.8Confident89.5Confident65 Ų6557.3 Ų57.339%0.39427%0.269SS..Hα-helixtrans-63.1-34.6179.2-178.50000113K1033K1033-V1035 PolarHBondContact O-N 2.76Å
1036F88.6Confident89.4Confident96 Ų9659.3 Ų59.342%0.42128%0.282SS..Hα-helixtrans-73.4-48.3176.1-178.7-103.3000110.6L1028 N1032 K1033 R1034 R1038 R1039 I1040L1028-F1036 HydrophobicContact CD2-CE1 4.27Å; N1032-F1036 HydrophobicContact CB-CD1 3.68Å; N1032-F1036 HydrophobicContact CB-CE1 4.29Å; N1032-F1036 HydrophobicContact CB-CG 4.48Å; K1033-F1036 WeakPolarHBondContact O-CB 3.45Å; K1033-F1036 PolarHBondContact O-N 2.88Å; R1034-F1036 VanDerWaalsContact C-N 3.33Å; R1034-F1036 PolarHBondContact O-N 3.23Å; F1036-R1038 VanDerWaalsContact C-N 3.3Å; F1036-R1038 PolarHBondContact O-N 3.44Å; F1036-R1039 WeakPolarHBondContact O-CB 3.23Å; F1036-R1039 PolarHBondContact O-N 3.11Å; F1036-I1040 HydrophobicContact CD1-CD1 3.95Å; F1036-I1040 HydrophobicContact CE1-CD1 3.38Å; F1036-I1040 HydrophobicContact CE2-CD1 4.09Å; F1036-I1040 HydrophobicContact CZ-CD1 3.46Å; F1036-I1040 VanDerWaalsContact CZ-CD1 3.46Å; F1036-I1040 PolarHBondContact O-N 2.79Å
1037V89.5Confident89.3Confident1 Ų161.9 Ų61.91%0.00629%0.291CS..Hα-helixtrans-55.9-43.7176.6-178.40000111.4L1000 F1029 N1032 K1033 R1034 R1039 I1040 W1041L1000-V1037 HydrophobicContact CD1-CG1 3.87Å; F1029-V1037 HydrophobicContact CB-CG1 4.5Å; F1029-V1037 HydrophobicContact CD1-CG1 3.79Å; F1029-V1037 HydrophobicContact CD1-CG2 4.39Å; F1029-V1037 HydrophobicContact CE1-CG1 4.38Å; F1029-V1037 HydrophobicContact CG-CG1 4.3Å; N1032-V1037 HydrophobicContact CB-CG2 4.37Å; K1033-V1037 PolarHBondContact O-N 3.35Å; R1034-V1037 PolarHBondContact O-N 3.31Å; V1037-R1039 PolarHBondContact O-N 3.39Å; V1037-I1040 PolarHBondContact O-N 2.85Å; V1037-I1040 VanDerWaalsContact O-N 3.12Å; V1037-W1041 HydrophobicContact CG1-CE3 3.79Å; V1037-W1041 HydrophobicContact CG1-CZ3 4.12Å; V1037-W1041 WeakPolarHBondContact O-CB 3.32Å; V1037-W1041 PolarHBondContact O-N 3.44Å
1038R89.2Confident89.3Confident92 Ų9259.9 Ų59.935%0.34728%0.279SS..Hα-helixtrans-55.3-32.3176.1179.8169.466175.1-5.7113.7R1034 F1036 F1122 E1125R1034-R1038 WeakPolarHBondContact O-CB 3.42Å; R1034-R1038 PolarHBondContact O-N 2.89Å; F1036-R1038 VanDerWaalsContact C-N 3.3Å; F1036-R1038 PolarHBondContact O-N 3.44Å; R1038-F1122 HydrophobicContact CB-CD1 4.07Å; R1038-F1122 HydrophobicContact CB-CE1 4.05Å; R1038-F1122 HydrophobicContact CB-CG 4.45Å; R1038-F1122 HydrophobicContact CB-CZ 4.39Å; R1038-F1122 HydrophobicContact CG-CB 4.13Å; R1038-F1122 HydrophobicContact CG-CD1 3.79Å; R1038-F1122 HydrophobicContact CG-CE1 4.29Å; R1038-F1122 HydrophobicContact CG-CG 3.96Å; R1038-E1125 PolarHBondContact NH1-O 3.27Å
1039R88.5Confident89.2Confident195 Ų19559.1 Ų59.174%0.73628%0.278SS*.Hα-helixtrans-77.8-39.5177.3-68.4-179.2177.4175.8-0.4112.1F1036 V1037F1036-R1039 WeakPolarHBondContact O-CB 3.23Å; F1036-R1039 PolarHBondContact O-N 3.11Å; V1037-R1039 PolarHBondContact O-N 3.39Å
1040I91.3Very high89.2Confident33 Ų3363.8 Ų63.817%0.16930%0.302CS..Hα-helixtrans-78-26.5-176.8-68.8178.7000112.3W1025 L1028 F1029 F1036 V1037 V1042 F1043 Y1044W1025-I1040 HydrophobicContact CZ3-CG2 3.75Å; L1028-I1040 HydrophobicContact CD2-CD1 4.01Å; L1028-I1040 HydrophobicContact CD2-CG2 4.32Å; F1029-I1040 HydrophobicContact CE1-CG2 4.17Å; F1036-I1040 HydrophobicContact CD1-CD1 3.95Å; F1036-I1040 HydrophobicContact CE1-CD1 3.38Å; F1036-I1040 HydrophobicContact CE2-CD1 4.09Å; F1036-I1040 HydrophobicContact CZ-CD1 3.46Å; F1036-I1040 VanDerWaalsContact CZ-CD1 3.46Å; F1036-I1040 PolarHBondContact O-N 2.79Å; V1037-I1040 PolarHBondContact O-N 2.85Å; V1037-I1040 VanDerWaalsContact O-N 3.12Å; I1040-V1042 PolarHBondContact O-N 2.75Å; I1040-F1043 PolarHBondContact O-N 3.2Å; I1040-Y1044 PolarHBondContact O-N 3.05Å
1041W92.5Very high89.3Confident0 Ų063.6 Ų63.60%030%0.298CS..Hα-helixtrans-53.7-29.2-175.2-156.2-96.7000115.4L1000 T1003 F1029 V1037 F1043 Y1044 V1045 A1115 Q1118 F1122L1000-W1041 HydrophobicContact CD1-CH2 4.27Å; L1000-W1041 HydrophobicContact CD1-CZ3 3.92Å; T1003-W1041 HydrophobicContact CG2-CH2 4.4Å; T1003-W1041 HydrophobicContact CG2-CZ2 4.05Å; T1003-W1041 WeakPolarHBondContact OG1-CH2 3.33Å; F1029-W1041 HydrophobicContact CD1-CZ3 4.48Å; F1029-W1041 AromaticContact CD2-CZ3 3.94Å; F1029-W1041 HydrophobicContact CD2-CZ3 3.94Å; F1029-W1041 HydrophobicContact CE1-CE3 4.29Å; F1029-W1041 HydrophobicContact CE1-CZ3 4.38Å; F1029-W1041 HydrophobicContact CE2-CE3 4.39Å; F1029-W1041 AromaticContact CE2-CZ3 3.82Å; F1029-W1041 HydrophobicContact CE2-CZ3 3.82Å; F1029-W1041 HydrophobicContact CG-CZ3 4.29Å; F1029-W1041 HydrophobicContact CZ-CE3 4.17Å; F1029-W1041 HydrophobicContact CZ-CZ3 4.06Å; V1037-W1041 HydrophobicContact CG1-CE3 3.79Å; V1037-W1041 HydrophobicContact CG1-CZ3 4.12Å; V1037-W1041 WeakPolarHBondContact O-CB 3.32Å; V1037-W1041 PolarHBondContact O-N 3.44Å; W1041-F1043 VanDerWaalsContact C-N 3.35Å; W1041-Y1044 PolarHBondContact O-N 3.3Å; W1041-V1045 PolarHBondContact O-N 3Å; W1041-V1045 VanDerWaalsContact O-N 3.08Å; W1041-A1115 HydrophobicContact CZ2-CB 4.02Å; W1041-A1115 PolarHBondContact NE1-O 3.27Å; W1041-Q1118 HydrophobicContact CZ2-CB 4.07Å; W1041-Q1118 HydrophobicContact CZ2-CG 3.9Å; W1041-F1122 HydrophobicContact CB-CD2 4.06Å; W1041-F1122 HydrophobicContact CB-CE2 3.94Å; W1041-F1122 AromaticContact CD1-CD2 3.89Å; W1041-F1122 HydrophobicContact CD2-CD2 4.41Å; W1041-F1122 AromaticContact CD2-CE2 3.78Å; W1041-F1122 HydrophobicContact CD2-CE2 3.78Å; W1041-F1122 HydrophobicContact CE3-CE2 4.23Å; W1041-F1122 AromaticContact CG-CD2 3.83Å; W1041-F1122 HydrophobicContact CG-CD2 3.83Å; W1041-F1122 AromaticContact CG-CE2 3.62Å; W1041-F1122 HydrophobicContact CG-CE2 3.62Å
1042V90.1Very high89.5Confident57 Ų5758.9 Ų58.935%0.34527%0.273SS..Hα-helixtrans-62.9-42.5177.1-176.30000111.1I1040 V1045 I1046 L1119I1040-V1042 PolarHBondContact O-N 2.75Å; V1042-V1045 PolarHBondContact O-N 2.93Å; V1042-I1046 HydrophobicContact CG1-CD1 4.1Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.48Å; V1042-I1046 PolarHBondContact O-N 2.86Å; V1042-I1046 VanDerWaalsContact O-N 3.15Å; V1042-L1119 HydrophobicContact CG2-CD1 3.99Å
1043F92.5Very high89.8Confident138 Ų13856.3 Ų56.361%0.60526%0.261SS*.Hα-helixtrans-68.3-36.6178-55.8-69.7000111.5I1040 W1041 I1046 Y1047I1040-F1043 PolarHBondContact O-N 3.2Å; W1041-F1043 VanDerWaalsContact C-N 3.35Å; F1043-I1046 PolarHBondContact O-N 3.23Å; F1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; F1043-Y1047 PolarHBondContact O-N 3.29Å
1044Y92.4Very high90.2Very high1 Ų153.8 Ų53.80%0.00425%0.254CS..Hα-helixtrans-64.4-40.7176.1-174.2-100.5000112.7I1007 Q1022 W1025 F1029 I1040 W1041 Y1047 M1048 V1111 A1115I1007-Y1044 HydrophobicContact CD1-CE1 4.17Å; I1007-Y1044 WeakPolarHBondContact CG1-OH 3.48Å; Q1022-Y1044 PolarHBondContact OE1-OH 3.12Å; W1025-Y1044 HydrophobicContact CB-CD2 4.47Å; W1025-Y1044 HydrophobicContact CB-CE2 4.17Å; W1025-Y1044 AromaticContact CD1-CE2 4Å; W1025-Y1044 AromaticContact CD2-CD2 3.95Å; W1025-Y1044 HydrophobicContact CD2-CD2 3.95Å; W1025-Y1044 HydrophobicContact CD2-CE2 4.39Å; W1025-Y1044 HydrophobicContact CE3-CD2 4.38Å; W1025-Y1044 AromaticContact CG-CD2 3.99Å; W1025-Y1044 HydrophobicContact CG-CD2 3.99Å; W1025-Y1044 AromaticContact CG-CE2 3.94Å; W1025-Y1044 HydrophobicContact CG-CE2 3.94Å; F1029-Y1044 HydrophobicContact CE2-CD1 4.49Å; F1029-Y1044 HydrophobicContact CE2-CD2 4.01Å; F1029-Y1044 HydrophobicContact CE2-CE2 4.21Å; F1029-Y1044 HydrophobicContact CE2-CG 4.17Å; F1029-Y1044 AromaticContact CZ-CD2 3.85Å; F1029-Y1044 HydrophobicContact CZ-CD2 3.85Å; F1029-Y1044 HydrophobicContact CZ-CE2 4.49Å; F1029-Y1044 AromaticContact CZ-CG 3.87Å; F1029-Y1044 HydrophobicContact CZ-CG 3.87Å; I1040-Y1044 PolarHBondContact O-N 3.05Å; W1041-Y1044 PolarHBondContact O-N 3.3Å; Y1044-Y1047 HydrophobicContact CD2-CD1 4.24Å; Y1044-Y1047 HydrophobicContact CE2-CD1 4.21Å; Y1044-Y1047 HydrophobicContact CE2-CE1 4.45Å; Y1044-Y1047 WeakPolarHBondContact O-CB 3.5Å; Y1044-Y1047 PolarHBondContact O-N 3.34Å; Y1044-M1048 HydrophobicContact CD1-CG 4.4Å; Y1044-M1048 HydrophobicContact CE1-CG 3.89Å; Y1044-M1048 HydrophobicContact CE2-CG 4.4Å; Y1044-M1048 HydrophobicContact CE2-SD 4.49Å; Y1044-M1048 WeakPolarHBondContact O-CG 3.32Å; Y1044-M1048 PolarHBondContact O-N 3.33Å; Y1044-V1111 HydrophobicContact CE1-CG1 4.11Å; Y1044-V1111 WeakPolarHBondContact OH-CG1 3.22Å; Y1044-A1115 HydrophobicContact CD1-CB 4.14Å; Y1044-A1115 HydrophobicContact CE1-CB 4.08Å
1045V92.2Very high90.5Very high11 Ų1152 Ų527%0.06725%0.247CC..Hα-helixtrans-66.4-38.9174.8174.40000111.7W1041 V1042 A1049 A1115 L1119W1041-V1045 PolarHBondContact O-N 3Å; W1041-V1045 VanDerWaalsContact O-N 3.08Å; V1042-V1045 PolarHBondContact O-N 2.93Å; V1045-A1049 VanDerWaalsContact O-CB 3.23Å; V1045-A1049 WeakPolarHBondContact O-CB 3.18Å; V1045-A1049 PolarHBondContact O-N 3.48Å; V1045-A1115 HydrophobicContact CG2-CB 3.86Å; V1045-A1115 WeakPolarHBondContact CG2-O 3.46Å; V1045-L1119 HydrophobicContact CB-CD2 4.21Å; V1045-L1119 HydrophobicContact CG1-CD2 4.11Å; V1045-L1119 HydrophobicContact CG2-CB 4.2Å; V1045-L1119 HydrophobicContact CG2-CD2 4.17Å
1046I91Very high90.8Very high88 Ų8849 Ų4945%0.45123%0.228SC..Hα-helixtrans-65.9-42.8175.4-67.6166.8000110.9V1042 F1043 A1049 I1050V1042-I1046 HydrophobicContact CG1-CD1 4.1Å; V1042-I1046 WeakPolarHBondContact O-CG1 3.48Å; V1042-I1046 PolarHBondContact O-N 2.86Å; V1042-I1046 VanDerWaalsContact O-N 3.15Å; F1043-I1046 PolarHBondContact O-N 3.23Å; I1046-A1049 PolarHBondContact O-N 3.47Å; I1046-I1050 HydrophobicContact CG2-CD1 3.8Å; I1046-I1050 WeakPolarHBondContact O-CG1 3.5Å; I1046-I1050 PolarHBondContact O-N 3.36Å
1047Y92.2Very high90.8Very high57 Ų5749.2 Ų49.222%0.22423%0.229CC..Hα-helixtrans-55-55.2174165.9-105.7000111.3W1025 F1043 Y1044 A1049 I1050 L1051W1025-Y1047 AromaticContact NE1-CE1 3.96Å; F1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; F1043-Y1047 PolarHBondContact O-N 3.29Å; Y1044-Y1047 HydrophobicContact CD2-CD1 4.24Å; Y1044-Y1047 HydrophobicContact CE2-CD1 4.21Å; Y1044-Y1047 HydrophobicContact CE2-CE1 4.45Å; Y1044-Y1047 WeakPolarHBondContact O-CB 3.5Å; Y1044-Y1047 PolarHBondContact O-N 3.34Å; Y1047-A1049 VanDerWaalsContact C-N 3.32Å; Y1047-A1049 PolarHBondContact O-N 2.9Å; Y1047-I1050 PolarHBondContact O-N 3.37Å; Y1047-L1051 HydrophobicContact CE1-CD2 4.16Å; Y1047-L1051 VanDerWaalsContact O-CB 3.3Å; Y1047-L1051 WeakPolarHBondContact O-CB 3.45Å; Y1047-L1051 PolarHBondContact O-N 3.49Å
1048M91.6Very high90.7Very high0 Ų050.7 Ų50.70%024%0.24CC..Hα-helixtrans-63.5-35.1178.7-66.3-56-57.400113.1Q1022 Y1044 I1050 L1051 Y1052 D1108 V1111 L1112Q1022-M1048 PolarHBondContact NE2-SD 2.77Å; Y1044-M1048 HydrophobicContact CD1-CG 4.4Å; Y1044-M1048 HydrophobicContact CE1-CG 3.89Å; Y1044-M1048 HydrophobicContact CE2-CG 4.4Å; Y1044-M1048 HydrophobicContact CE2-SD 4.49Å; Y1044-M1048 WeakPolarHBondContact O-CG 3.32Å; Y1044-M1048 PolarHBondContact O-N 3.33Å; M1048-I1050 VanDerWaalsContact C-N 3.3Å; M1048-I1050 PolarHBondContact O-N 2.99Å; M1048-L1051 HydrophobicContact CE-CD2 4.28Å; M1048-L1051 PolarHBondContact O-N 3.03Å; M1048-L1051 HydrophobicContact SD-CD2 4.15Å; M1048-Y1052 WeakPolarHBondContact O-CB 3.36Å; M1048-Y1052 PolarHBondContact O-N 3.05Å; M1048-Y1052 VanDerWaalsContact O-N 3.09Å; M1048-D1108 HydrophobicContact CE-CB 4.04Å; M1048-V1111 HydrophobicContact CE-CB 4.17Å; M1048-V1111 HydrophobicContact CE-CG1 3.94Å; M1048-V1111 HydrophobicContact CG-CG1 4.28Å; M1048-V1111 HydrophobicContact SD-CG1 4.25Å; M1048-L1112 HydrophobicContact CB-CB 4.24Å; M1048-L1112 HydrophobicContact CB-CD1 3.95Å
1049A89.8Confident90.6Very high19 Ų1947.1 Ų47.116%0.15723%0.227CC..Hα-helixtrans-70-24.3178.900000113.6V1045 I1046 Y1047 P1053 L1112V1045-A1049 VanDerWaalsContact O-CB 3.23Å; V1045-A1049 WeakPolarHBondContact O-CB 3.18Å; V1045-A1049 PolarHBondContact O-N 3.48Å; I1046-A1049 PolarHBondContact O-N 3.47Å; Y1047-A1049 VanDerWaalsContact C-N 3.32Å; Y1047-A1049 PolarHBondContact O-N 2.9Å; A1049-P1053 WeakPolarHBondContact O-CD 3.29Å; A1049-P1053 WeakPolarHBondContact O-CG 3.2Å; A1049-L1112 HydrophobicContact CB-CD1 4.04Å
1050I91.6Very high90.5Very high104 Ų10438.6 Ų38.653%0.53320%0.196SC..Hα-helixtrans-90.8-38.5173.4-65.1169.5000110.7I1046 Y1047 M1048 P1053 L1054I1046-I1050 HydrophobicContact CG2-CD1 3.8Å; I1046-I1050 WeakPolarHBondContact O-CG1 3.5Å; I1046-I1050 PolarHBondContact O-N 3.36Å; Y1047-I1050 PolarHBondContact O-N 3.37Å; M1048-I1050 VanDerWaalsContact C-N 3.3Å; M1048-I1050 PolarHBondContact O-N 2.99Å; I1050-P1053 WeakPolarHBondContact O-CD 3.5Å; I1050-P1053 WeakPolarHBondContact O-CG 3.5Å; I1050-L1054 VanDerWaalsContact O-CB 3.26Å; I1050-L1054 WeakPolarHBondContact O-CB 3.49Å; I1050-L1054 PolarHBondContact O-N 3Å
1051L90.9Very high90Very high17 Ų1738 Ų389%0.08920%0.198CC..Hα-helixtrans-60.8-48.7179.6-176.766.9000111.6L1018 Y1047 M1048 L1054 Q1055L1018-L1051 HydrophobicContact CD1-CD1 4.27Å; L1018-L1051 HydrophobicContact CD2-CD1 3.95Å; L1018-L1051 HydrophobicContact CD2-CD2 4.38Å; Y1047-L1051 HydrophobicContact CE1-CD2 4.16Å; Y1047-L1051 VanDerWaalsContact O-CB 3.3Å; Y1047-L1051 WeakPolarHBondContact O-CB 3.45Å; Y1047-L1051 PolarHBondContact O-N 3.49Å; M1048-L1051 HydrophobicContact CE-CD2 4.28Å; M1048-L1051 PolarHBondContact O-N 3.03Å; M1048-L1051 HydrophobicContact SD-CD2 4.15Å; L1051-L1054 PolarHBondContact O-N 3.44Å; L1051-L1054 VanDerWaalsContact O-N 3.13Å; L1051-Q1055 VanDerWaalsContact O-CB 3.25Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.31Å; L1051-Q1055 PolarHBondContact O-N 3.19Å
1052Y91Very high89.5Confident2 Ų241.8 Ų41.81%0.00822%0.218CC..Hα-helixtrans-54.5-52.1-176.7-179.8-108000114.3V852 M1048 F1056 L1105 D1108 F1109V852-Y1052 HydrophobicContact CG1-CD1 4.18Å; V852-Y1052 HydrophobicContact CG1-CE1 3.91Å; M1048-Y1052 WeakPolarHBondContact O-CB 3.36Å; M1048-Y1052 PolarHBondContact O-N 3.05Å; M1048-Y1052 VanDerWaalsContact O-N 3.09Å; Y1052-F1056 PolarHBondContact O-N 3.38Å; Y1052-L1105 HydrophobicContact CD2-CD2 4.23Å; Y1052-L1105 HydrophobicContact CE2-CB 4.31Å; Y1052-L1105 HydrophobicContact CE2-CD2 4.1Å; Y1052-L1105 WeakPolarHBondContact CE2-O 3.45Å; Y1052-D1108 HydrophobicContact CD2-CB 4.29Å; Y1052-F1109 HydrophobicContact CD2-CB 4.41Å; Y1052-F1109 HydrophobicContact CE1-CD2 4.23Å; Y1052-F1109 HydrophobicContact CE2-CB 3.86Å; Y1052-F1109 HydrophobicContact CE2-CD2 4.35Å; Y1052-F1109 AromaticContact CZ-CD2 3.92Å
1053P90.7Very high88.9Confident19 Ų1940 Ų4012%0.12321%0.208CC..Hα-helixtrans-67.5-37.6173.825.2-32.8000113V852 A1049 I1050 Q1055 F1056 F1057V852-P1053 HydrophobicContact CG1-CB 4.07Å; A1049-P1053 WeakPolarHBondContact O-CD 3.29Å; A1049-P1053 WeakPolarHBondContact O-CG 3.2Å; I1050-P1053 WeakPolarHBondContact O-CD 3.5Å; I1050-P1053 WeakPolarHBondContact O-CG 3.5Å; P1053-Q1055 VanDerWaalsContact C-N 3.34Å; P1053-Q1055 PolarHBondContact O-N 3.15Å; P1053-F1056 PolarHBondContact O-N 3.4Å; P1053-F1057 HydrophobicContact CB-CE2 4.49Å; P1053-F1057 WeakPolarHBondContact O-CD2 3.2Å; P1053-F1057 PolarHBondContact O-N 2.93Å
1054L90.2Very high87.7Confident95 Ų9534.3 Ų34.350%0.49719%0.185SC..Hα-helixtrans-63.4-39.6179.8-170.9157.4000112I1050 L1051 F1057 S1058I1050-L1054 VanDerWaalsContact O-CB 3.26Å; I1050-L1054 WeakPolarHBondContact O-CB 3.49Å; I1050-L1054 PolarHBondContact O-N 3Å; L1051-L1054 PolarHBondContact O-N 3.44Å; L1051-L1054 VanDerWaalsContact O-N 3.13Å; L1054-F1057 PolarHBondContact O-N 3.06Å; L1054-S1058 PolarHBondContact O-N 3.16Å; L1054-S1058 PolarHBondContact O-OG 3.19Å
1055Q90.5Very high86.5Confident1 Ų137.8 Ų37.81%0.00520%0.203CC..Hα-helixtrans-66.1-41174.4-171.3176.1-14.100111.2R1014 L1051 P1053 S1058 Y1059 L1105 D1108R1014-Q1055 VanDerWaalsContact NH1-NE2 3.18Å; L1051-Q1055 VanDerWaalsContact O-CB 3.25Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.31Å; L1051-Q1055 PolarHBondContact O-N 3.19Å; P1053-Q1055 VanDerWaalsContact C-N 3.34Å; P1053-Q1055 PolarHBondContact O-N 3.15Å; Q1055-S1058 WeakPolarHBondContact O-CB 3.49Å; Q1055-S1058 PolarHBondContact O-N 3.33Å; Q1055-Y1059 HydrophobicContact CG-CD1 4.48Å; Q1055-Y1059 HydrophobicContact CG-CE1 3.86Å; Q1055-Y1059 HydrophobicContact CG-CE2 4.26Å; Q1055-Y1059 PolarHBondContact NE2-OH 3.28Å; Q1055-Y1059 WeakPolarHBondContact O-CD1 3.41Å; Q1055-Y1059 PolarHBondContact O-N 3.02Å; Q1055-L1105 HydrophobicContact CB-CD2 4.32Å; Q1055-L1105 HydrophobicContact CG-CD2 4.05Å; Q1055-D1108 VanDerWaalsContact CD-OD2 3.31Å; Q1055-D1108 PolarHBondContact NE2-OD2 3.31Å; Q1055-D1108 PolarHBondContact OE1-OD2 2.92Å
1056F90.5Very high85.4Confident2 Ų240.4 Ų40.41%0.00922%0.222CC..Hα-helixtrans-63.4-42.2172.4-169.8-93.6000112.6I840 I844 I849 V852 Y1052 P1053 S1058 Y1059 V1060 L1105I840-F1056 HydrophobicContact CG2-CD2 4.15Å; I840-F1056 HydrophobicContact CG2-CE2 3.4Å; I840-F1056 VanDerWaalsContact CG2-CE2 3.4Å; I840-F1056 HydrophobicContact CG2-CZ 3.64Å; I844-F1056 HydrophobicContact CB-CE2 4.41Å; I844-F1056 HydrophobicContact CG1-CE2 4.38Å; I844-F1056 HydrophobicContact CG2-CE2 4.08Å; I844-F1056 HydrophobicContact CG2-CZ 4.34Å; I849-F1056 HydrophobicContact CG1-CD1 4.22Å; I849-F1056 HydrophobicContact CG1-CE1 3.87Å; V852-F1056 HydrophobicContact CG1-CB 4.38Å; V852-F1056 HydrophobicContact CG2-CD1 3.76Å; V852-F1056 HydrophobicContact CG2-CD2 4.14Å; V852-F1056 HydrophobicContact CG2-CE1 3.92Å; V852-F1056 HydrophobicContact CG2-CE2 4.3Å; V852-F1056 HydrophobicContact CG2-CG 3.87Å; V852-F1056 HydrophobicContact CG2-CZ 4.19Å; Y1052-F1056 PolarHBondContact O-N 3.38Å; P1053-F1056 PolarHBondContact O-N 3.4Å; F1056-S1058 VanDerWaalsContact C-N 3.3Å; F1056-S1058 PolarHBondContact O-N 3.14Å; F1056-Y1059 PolarHBondContact O-N 3.18Å; F1056-V1060 HydrophobicContact CD1-CG2 4.05Å; F1056-V1060 HydrophobicContact CE1-CG2 3.65Å; F1056-V1060 HydrophobicContact CZ-CG2 4.04Å; F1056-V1060 WeakPolarHBondContact O-CG2 3.37Å; F1056-V1060 PolarHBondContact O-N 2.98Å; F1056-L1105 HydrophobicContact CD2-CD1 3.92Å
1057F89.3Confident84.5Confident101 Ų10138.9 Ų38.944%0.44322%0.218SC..Hα-helixtrans-59.4-41.4172.1-77.7-66000112I849 I853 P1053 L1054 Y1059 V1060 G1061I849-F1057 HydrophobicContact CD1-CD1 4.19Å; I849-F1057 HydrophobicContact CD1-CE1 4.01Å; I849-F1057 HydrophobicContact CG1-CE1 4.29Å; I849-F1057 HydrophobicContact CG2-CD1 4.46Å; I849-F1057 HydrophobicContact CG2-CE1 3.47Å; I849-F1057 VanDerWaalsContact CG2-CE1 3.47Å; I849-F1057 HydrophobicContact CG2-CZ 3.65Å; I853-F1057 HydrophobicContact CD1-CZ 4.3Å; P1053-F1057 HydrophobicContact CB-CE2 4.49Å; P1053-F1057 WeakPolarHBondContact O-CD2 3.2Å; P1053-F1057 PolarHBondContact O-N 2.93Å; L1054-F1057 PolarHBondContact O-N 3.06Å; F1057-Y1059 VanDerWaalsContact C-N 3.34Å; F1057-Y1059 PolarHBondContact O-N 3.25Å; F1057-V1060 PolarHBondContact O-N 2.99Å; F1057-G1061 PolarHBondContact O-N 3.39Å
1058S86.2Confident83.6Confident33 Ų3340.7 Ų40.723%0.23123%0.231CC..Hα-helixtrans-65-37.4177.8-53.80000111.8L1054 Q1055 F1056 S1094L1054-S1058 PolarHBondContact O-N 3.16Å; L1054-S1058 PolarHBondContact O-OG 3.19Å; Q1055-S1058 WeakPolarHBondContact O-CB 3.49Å; Q1055-S1058 PolarHBondContact O-N 3.33Å; F1056-S1058 VanDerWaalsContact C-N 3.3Å; F1056-S1058 PolarHBondContact O-N 3.14Å; S1058-S1094 WeakPolarHBondContact O-CB 3.45Å
1059Y87.8Confident82.6Confident16 Ų1644 Ų446%0.06325%0.246CC..Hα-helixtrans-75.3-29.2178.6-66.71.5000113.4I844 Q1055 F1056 F1057 N1092 W1100 L1105I844-Y1059 HydrophobicContact CD1-CD2 4.27Å; Q1055-Y1059 HydrophobicContact CG-CD1 4.48Å; Q1055-Y1059 HydrophobicContact CG-CE1 3.86Å; Q1055-Y1059 HydrophobicContact CG-CE2 4.26Å; Q1055-Y1059 PolarHBondContact NE2-OH 3.28Å; Q1055-Y1059 WeakPolarHBondContact O-CD1 3.41Å; Q1055-Y1059 PolarHBondContact O-N 3.02Å; F1056-Y1059 PolarHBondContact O-N 3.18Å; F1057-Y1059 VanDerWaalsContact C-N 3.34Å; F1057-Y1059 PolarHBondContact O-N 3.25Å; Y1059-N1092 PolarHBondContact OH-OD1 2.94Å; Y1059-W1100 HydrophobicContact CD1-CB 4.13Å; Y1059-W1100 AromaticContact CD1-CD1 3.89Å; Y1059-W1100 AromaticContact CD1-CD2 3.52Å; Y1059-W1100 HydrophobicContact CD1-CD2 3.52Å; Y1059-W1100 AromaticContact CD1-CE2 3.89Å; Y1059-W1100 AromaticContact CD1-CE3 3.95Å; Y1059-W1100 HydrophobicContact CD1-CE3 3.95Å; Y1059-W1100 AromaticContact CD1-CG 3.57Å; Y1059-W1100 HydrophobicContact CD1-CG 3.57Å; Y1059-W1100 HydrophobicContact CD2-CB 3.49Å; Y1059-W1100 VanDerWaalsContact CD2-CB 3.49Å; Y1059-W1100 HydrophobicContact CD2-CD2 4.49Å; Y1059-W1100 AromaticContact CD2-CG 3.85Å; Y1059-W1100 HydrophobicContact CD2-CG 3.85Å; Y1059-W1100 HydrophobicContact CE1-CB 4.36Å; Y1059-W1100 AromaticContact CE1-CD2 3.59Å; Y1059-W1100 HydrophobicContact CE1-CD2 3.59Å; Y1059-W1100 AromaticContact CE1-CE3 3.5Å; Y1059-W1100 HydrophobicContact CE1-CE3 3.5Å; Y1059-W1100 VanDerWaalsContact CE1-CE3 3.5Å; Y1059-W1100 AromaticContact CE1-CG 3.97Å; Y1059-W1100 HydrophobicContact CE1-CG 3.97Å; Y1059-W1100 HydrophobicContact CE1-CZ3 4.08Å; Y1059-W1100 HydrophobicContact CE2-CB 3.73Å; Y1059-W1100 HydrophobicContact CE2-CG 4.21Å; Y1059-W1100 HydrophobicContact CG-CB 3.72Å; Y1059-W1100 AromaticContact CG-CD1 3.78Å; Y1059-W1100 HydrophobicContact CG-CD2 4.03Å; Y1059-W1100 AromaticContact CG-CG 3.53Å; Y1059-W1100 HydrophobicContact CG-CG 3.53Å; Y1059-W1100 AromaticContact CZ-CE3 3.86Å; Y1059-L1105 HydrophobicContact CD2-CD1 3.74Å; Y1059-L1105 HydrophobicContact CD2-CD2 4.48Å; Y1059-L1105 HydrophobicContact CD2-CG 4.04Å; Y1059-L1105 HydrophobicContact CE2-CD1 3.98Å; Y1059-L1105 HydrophobicContact CE2-CD2 4.29Å; Y1059-L1105 HydrophobicContact CE2-CG 3.77Å
1060V86.2Confident82.1Confident16 Ų1644 Ų4410%0.09724%0.243CC..Hα-helixtrans-74.3-33.1172.9172.20000112I844 A846 I849 W917 F1056 F1057I844-V1060 HydrophobicContact CG2-CG2 3.67Å; A846-V1060 HydrophobicContact CB-CG1 4.3Å; I849-V1060 HydrophobicContact CD1-CG1 4.44Å; W917-V1060 HydrophobicContact CZ2-CG1 3.95Å; W917-V1060 PolarHBondContact NE1-O 3.16Å; W917-V1060 VanDerWaalsContact NE1-O 3.09Å; F1056-V1060 HydrophobicContact CD1-CG2 4.05Å; F1056-V1060 HydrophobicContact CE1-CG2 3.65Å; F1056-V1060 HydrophobicContact CZ-CG2 4.04Å; F1056-V1060 WeakPolarHBondContact O-CG2 3.37Å; F1056-V1060 PolarHBondContact O-N 2.98Å; F1057-V1060 PolarHBondContact O-N 2.99Å
1061G81.8Confident81.6Confident20 Ų2042.6 Ų42.621%0.20624%0.24CC..  trans63.4-164.6175.200000115.2F1057 Y1070F1057-G1061 PolarHBondContact O-N 3.39Å; G1061-Y1070 WeakPolarHBondContact CA-OH 3.37Å
1062L81.6Confident81.1Confident80 Ų8045.1 Ų45.142%0.41925%0.249SC..SBendtrans-88150.3170.6-67.7174000110.4I1068 Y1070 Y1096L1062-I1068 HydrophobicContact CD1-CG2 4.49Å; L1062-Y1070 HydrophobicContact CB-CE1 4.12Å; L1062-Y1070 HydrophobicContact CD1-CD1 4.27Å; L1062-Y1070 HydrophobicContact CD1-CE1 3.93Å; L1062-Y1070 HydrophobicContact CG-CE1 3.96Å; L1062-Y1070 PolarHBondContact N-OH 3.22Å; L1062-Y1096 WeakPolarHBondContact O-CE1 3.45Å
1063P76.3Confident80.3Confident21 Ų2146.2 Ų46.214%0.13626%0.257CS..  trans-64.6128.3176.625.8-33.8000111.5M914 W917 D1065 S1066M914-P1063 HydrophobicContact SD-CB 3.79Å; M914-P1063 HydrophobicContact SD-CG 4.33Å; W917-P1063 HydrophobicContact CD2-CB 4.04Å; W917-P1063 HydrophobicContact CE3-CB 4.32Å; W917-P1063 HydrophobicContact CG-CB 4.3Å; P1063-D1065 PolarHBondContact O-N 2.79Å; P1063-S1066 WeakPolarHBondContact O-CB 3.45Å; P1063-S1066 PolarHBondContact O-N 3.42Å
1064P68.5Low79.7Confident18 Ų1852.4 Ų52.412%0.11728%0.278CS..G310 helixtrans-70-29.5-174.727.1-35000113.8I912 S1066 C1067 Y1096I912-P1064 HydrophobicContact CB-CG 4.16Å; I912-P1064 VanDerWaalsContact O-CG 3.24Å; I912-P1064 WeakPolarHBondContact O-CG 3.43Å; P1064-S1066 PolarHBondContact O-N 3.49Å; P1064-C1067 PolarHBondContact O-N 3.43Å; P1064-Y1096 HydrophobicContact CB-CD1 3.82Å; P1064-Y1096 HydrophobicContact CB-CE1 3.71Å
1065D66.5Low78.9Confident73 Ų7358.1 Ų58.139%0.3929%0.294SS..G310 helixtrans-56.8-12173.6-80.4-17.9000113.6S913 M914 P1063S913-D1065 WeakPolarHBondContact CA-OD2 3.37Å; M914-D1065 WeakPolarHBondContact CB-OD2 3.35Å; M914-D1065 PolarHBondContact N-OD2 2.96Å; P1063-D1065 PolarHBondContact O-N 2.79Å
1066S69.4Low78.1Confident66 Ų6659.1 Ų59.146%0.46230%0.299SS..G310 helixtrans-83.8-9.8173.2-58.90000114.4P1063 P1064 I1068P1063-S1066 WeakPolarHBondContact O-CB 3.45Å; P1063-S1066 PolarHBondContact O-N 3.42Å; P1064-S1066 PolarHBondContact O-N 3.49Å; S1066-I1068 WeakPolarHBondContact O-CG1 3.43Å; S1066-I1068 PolarHBondContact O-N 3.04Å; S1066-I1068 VanDerWaalsContact O-N 3.15Å
1067C71Confident76.8Confident56 Ų5663.7 Ų63.738%0.37833%0.329SS..  trans54.126.5-178.4-630000115.9C907 P1064C907-C1067 HydrophobicContact CB-CB 4.09Å; C907-C1067 WeakPolarHBondContact CB-SG 3.02Å; C907-C1067 WeakPolarHBondContact SG-CB 3.49Å; C907-C1067 CovalentContact SG-SG 2.04Å; C907-C1067 PolarHBondContact SG-SG 3.18Å; P1064-C1067 PolarHBondContact O-N 3.43Å
1068I73.8Confident75.9Confident95 Ų9563.2 Ų63.249%0.48734%0.338SS..  trans-90.2107.6-179.6-58175.3000109.7L1062 S1066 Y1096L1062-I1068 HydrophobicContact CD1-CG2 4.49Å; S1066-I1068 WeakPolarHBondContact O-CG1 3.43Å; S1066-I1068 PolarHBondContact O-N 3.04Å; S1066-I1068 VanDerWaalsContact O-N 3.15Å; I1068-Y1096 WeakPolarHBondContact O-CE2 3.32Å; I1068-Y1096 PolarHBondContact O-OH 3.35Å
1069E71.7Confident75.2Confident69 Ų6966.2 Ų66.232%0.32235%0.345SS..  trans-64.7139.6171.4-65-160.4153.300111.9H909 S1073 Y1074H909-E1069 IonicContact CD2-OE1 2.82Å; H909-E1069 IonicContact CE1-OE1 3.68Å; H909-E1069 IonicContact NE2-OE1 2.8Å; H909-E1069 PolarHBondContact NE2-OE1 2.85Å; E1069-S1073 PolarHBondContact OE2-OG 3.38Å; E1069-Y1074 HydrophobicContact CB-CE2 4.14Å; E1069-Y1074 PolarHBondContact OE2-OH 3.03Å
1070Y78Confident74.5Confident20 Ų2067.8 Ų67.88%0.07836%0.358CS..  trans-67.1140.1177-65.2-73000111.5G1061 L1062 W1072 S1073 S1094 Y1096G1061-Y1070 WeakPolarHBondContact CA-OH 3.37Å; L1062-Y1070 HydrophobicContact CB-CE1 4.12Å; L1062-Y1070 HydrophobicContact CD1-CD1 4.27Å; L1062-Y1070 HydrophobicContact CD1-CE1 3.93Å; L1062-Y1070 HydrophobicContact CG-CE1 3.96Å; L1062-Y1070 PolarHBondContact N-OH 3.22Å; Y1070-W1072 VanDerWaalsContact CB-CZ2 3.49Å; Y1070-W1072 AromaticContact CD1-CH2 3.89Å; Y1070-W1072 HydrophobicContact CD1-CH2 3.89Å; Y1070-W1072 AromaticContact CD1-CZ2 3.62Å; Y1070-W1072 HydrophobicContact CD1-CZ2 3.62Å; Y1070-W1072 HydrophobicContact CD2-CZ2 4.3Å; Y1070-W1072 HydrophobicContact CE1-CZ2 4.44Å; Y1070-W1072 AromaticContact CG-CE2 3.94Å; Y1070-W1072 HydrophobicContact CG-CH2 4.23Å; Y1070-W1072 AromaticContact CG-CZ2 3.55Å; Y1070-W1072 HydrophobicContact CG-CZ2 3.55Å; Y1070-W1072 PolarHBondContact O-N 2.92Å; Y1070-S1073 WeakPolarHBondContact O-CB 3.49Å; Y1070-S1073 PolarHBondContact O-N 3.41Å; Y1070-S1073 PolarHBondContact O-OG 3.25Å; Y1070-S1073 VanDerWaalsContact O-OG 3.11Å; Y1070-S1094 WeakPolarHBondContact CD1-OG 3.5Å; Y1070-S1094 VanDerWaalsContact CD2-O 3.31Å; Y1070-S1094 WeakPolarHBondContact CD2-O 3.44Å; Y1070-S1094 WeakPolarHBondContact CE1-OG 3.38Å; Y1070-S1094 VanDerWaalsContact CZ-OG 3.32Å; Y1070-Y1096 AromaticContact CD2-CD2 3.84Å; Y1070-Y1096 HydrophobicContact CD2-CD2 3.84Å; Y1070-Y1096 AromaticContact CD2-CE2 3.66Å; Y1070-Y1096 HydrophobicContact CD2-CE2 3.66Å; Y1070-Y1096 HydrophobicContact CE2-CD1 4.21Å; Y1070-Y1096 AromaticContact CE2-CD2 3.47Å; Y1070-Y1096 HydrophobicContact CE2-CD2 3.47Å; Y1070-Y1096 VanDerWaalsContact CE2-CD2 3.47Å; Y1070-Y1096 HydrophobicContact CE2-CE1 4.06Å; Y1070-Y1096 AromaticContact CE2-CE2 3.28Å; Y1070-Y1096 HydrophobicContact CE2-CE2 3.28Å; Y1070-Y1096 AromaticContact CE2-CG 3.94Å; Y1070-Y1096 HydrophobicContact CE2-CG 3.94Å; Y1070-Y1096 AromaticContact CE2-CZ 3.62Å; Y1070-Y1096 AromaticContact CZ-CE2 3.89Å; Y1070-Y1096 AromaticContact CZ-CZ 3.75Å
1071P82.6Confident74.1Confident75 Ų7572 Ų7249%0.48738%0.381SS..THydrogen-bonded Turntrans-54.6-27.7-171.9-29.635.7000116.3S1073 Y1074 W1075P1071-S1073 VanDerWaalsContact C-N 3.31Å; P1071-S1073 PolarHBondContact O-N 3.49Å; P1071-Y1074 PolarHBondContact O-N 3.2Å; P1071-W1075 VanDerWaalsContact O-CD1 3.29Å
1072W80.3Confident74Confident70 Ų7072.9 Ų72.927%0.26538%0.38SS..Hα-helixtrans-74.3-13.1178.645.684.9000114.7Y1070 Y1074 W1075 I1076 L1093 S1094Y1070-W1072 VanDerWaalsContact CB-CZ2 3.49Å; Y1070-W1072 AromaticContact CD1-CH2 3.89Å; Y1070-W1072 HydrophobicContact CD1-CH2 3.89Å; Y1070-W1072 AromaticContact CD1-CZ2 3.62Å; Y1070-W1072 HydrophobicContact CD1-CZ2 3.62Å; Y1070-W1072 HydrophobicContact CD2-CZ2 4.3Å; Y1070-W1072 HydrophobicContact CE1-CZ2 4.44Å; Y1070-W1072 AromaticContact CG-CE2 3.94Å; Y1070-W1072 HydrophobicContact CG-CH2 4.23Å; Y1070-W1072 AromaticContact CG-CZ2 3.55Å; Y1070-W1072 HydrophobicContact CG-CZ2 3.55Å; Y1070-W1072 PolarHBondContact O-N 2.92Å; W1072-Y1074 PolarHBondContact O-N 3.36Å; W1072-W1075 PolarHBondContact O-N 3.4Å; W1072-I1076 HydrophobicContact CB-CD1 4.41Å; W1072-I1076 PolarHBondContact O-N 3.22Å; W1072-L1093 HydrophobicContact CB-CD1 4.17Å; W1072-L1093 HydrophobicContact CD2-CB 4.18Å; W1072-L1093 HydrophobicContact CD2-CD1 4.11Å; W1072-L1093 HydrophobicContact CD2-CD2 4.31Å; W1072-L1093 HydrophobicContact CD2-CG 4.44Å; W1072-L1093 HydrophobicContact CE3-CD2 4.21Å; W1072-L1093 HydrophobicContact CG-CB 4.47Å; W1072-L1093 HydrophobicContact CG-CD1 3.89Å; W1072-L1093 HydrophobicContact CZ2-CB 4.1Å; W1072-L1093 HydrophobicContact CZ3-CD2 4.38Å; W1072-S1094 VanDerWaalsContact CZ2-O 3.25Å; W1072-S1094 WeakPolarHBondContact CZ2-O 3.34Å; W1072-S1094 VanDerWaalsContact CZ2-OG 3.24Å; W1072-S1094 WeakPolarHBondContact CZ2-OG 3.43Å; W1072-S1094 PolarHBondContact NE1-O 2.78Å
1073S74.4Confident73.9Confident25 Ų2569.2 Ų69.218%0.17536%0.362CS..Hα-helixtrans-57.7-36.5171.169.40000111.3E1069 Y1070 P1071 R1084E1069-S1073 PolarHBondContact OE2-OG 3.38Å; Y1070-S1073 WeakPolarHBondContact O-CB 3.49Å; Y1070-S1073 PolarHBondContact O-N 3.41Å; Y1070-S1073 PolarHBondContact O-OG 3.25Å; Y1070-S1073 VanDerWaalsContact O-OG 3.11Å; P1071-S1073 VanDerWaalsContact C-N 3.31Å; P1071-S1073 PolarHBondContact O-N 3.49Å; S1073-R1084 PolarHBondContact O-NH1 2.71Å
1074Y78Confident74.2Confident148 Ų14872 Ų7258%0.5837%0.37SS*.Hα-helixtrans-86.5-26.5178.2-53.5-70.5000114.3E1069 P1071 W1072 I1076 P1077E1069-Y1074 HydrophobicContact CB-CE2 4.14Å; E1069-Y1074 PolarHBondContact OE2-OH 3.03Å; P1071-Y1074 PolarHBondContact O-N 3.2Å; W1072-Y1074 PolarHBondContact O-N 3.36Å; Y1074-I1076 VanDerWaalsContact C-N 3.34Å; Y1074-P1077 WeakPolarHBondContact O-CD 3.31Å
1075W73.5Confident75Confident215 Ų21573.2 Ų73.281%0.81437%0.373SS*.Hα-helixtrans-80.7-14.1-177.4-69.716.9000113.3P1071 W1072 P1077P1071-W1075 VanDerWaalsContact O-CD1 3.29Å; W1072-W1075 PolarHBondContact O-N 3.4Å; W1075-P1077 WeakPolarHBondContact O-CD 3.39Å
1076I71.9Confident76Confident22 Ų2269.8 Ų69.811%0.11336%0.355CS..  trans-119.556.1-178.3-46.8176.6000111W1072 Y1074 Y1079 R1084 L1087W1072-I1076 HydrophobicContact CB-CD1 4.41Å; W1072-I1076 PolarHBondContact O-N 3.22Å; Y1074-I1076 VanDerWaalsContact C-N 3.34Å; I1076-Y1079 HydrophobicContact CG2-CD2 3.93Å; I1076-Y1079 HydrophobicContact CG2-CE2 4.44Å; I1076-R1084 HydrophobicContact CB-CG 4.31Å; I1076-R1084 HydrophobicContact CG2-CG 4.19Å; I1076-R1084 WeakPolarHBondContact O-CD 3.44Å; I1076-L1087 HydrophobicContact CD1-CD2 4.38Å; I1076-L1087 HydrophobicContact CG2-CD2 3.86Å
1077P63.7Low76.7Confident99 Ų9968 Ų6864%0.64334%0.34SS*.  trans-89.7-6.6-171.537.8-38.1000114.7Y1074 W1075 Y1079Y1074-P1077 WeakPolarHBondContact O-CD 3.31Å; W1075-P1077 WeakPolarHBondContact O-CD 3.39Å; P1077-Y1079 PolarHBondContact O-N 2.83Å
1078S69.9Low77.4Confident91 Ų9165.8 Ų65.864%0.63633%0.325SS*.SBendtrans-93.517.5-168.9670000115.1
1079Y71.8Confident78.1Confident95 Ų9561.4 Ų61.437%0.37330%0.302SS..SBendtrans-137.3157.2-174.8-58.6-77.8000110.2I1076 P1077 F1246I1076-Y1079 HydrophobicContact CG2-CD2 3.93Å; I1076-Y1079 HydrophobicContact CG2-CE2 4.44Å; P1077-Y1079 PolarHBondContact O-N 2.83Å; Y1079-F1246 HydrophobicContact CE1-CD1 4.39Å; Y1079-F1246 AromaticContact CE1-CE1 3.77Å; Y1079-F1246 HydrophobicContact CE1-CE1 3.77Å; Y1079-F1246 HydrophobicContact CE1-CZ 4.48Å; Y1079-F1246 AromaticContact CZ-CE1 3.97Å
1080S74Confident78.8Confident49 Ų4958.2 Ų58.234%0.34329%0.287SS..  trans-61.9156.4172.954.60000111.5D1082 A1083 R1084S1080-D1082 VanDerWaalsContact C-N 3.32Å; S1080-D1082 PolarHBondContact O-N 3.31Å; S1080-A1083 CarbonylContact O-C 3.58Å; S1080-A1083 WeakPolarHBondContact O-CA 3.48Å; S1080-A1083 WeakPolarHBondContact O-CB 3.49Å; S1080-A1083 PolarHBondContact O-N 2.9Å; S1080-R1084 PolarHBondContact O-N 3.43Å
1081D78.2Confident79.1Confident106 Ų10661 Ų6157%0.56730%0.304SS*.Hα-helixtrans-58.9-39.4-173.5-75.5-56.8000113.6A1083 R1084 F1085D1081-A1083 PolarHBondContact O-N 3.22Å; D1081-R1084 PolarHBondContact O-N 3.05Å; D1081-R1084 IonicContact OD1-CZ 2.63Å; D1081-R1084 IonicContact OD1-NE 2.83Å; D1081-R1084 PolarHBondContact OD1-NE 3.1Å; D1081-R1084 IonicContact OD1-NH2 2.89Å; D1081-R1084 PolarHBondContact OD1-NH2 2.91Å; D1081-F1085 VanDerWaalsContact O-CB 3.29Å; D1081-F1085 WeakPolarHBondContact O-CB 3.24Å; D1081-F1085 PolarHBondContact O-N 3.3Å
1082D79.7Confident79.3Confident37 Ų3758.2 Ų58.220%0.19828%0.284CS..Hα-helixtrans-63.8-38.3174.2-69.2-37.3000111.9S1080 N1086 H1277 L1279S1080-D1082 VanDerWaalsContact C-N 3.32Å; S1080-D1082 PolarHBondContact O-N 3.31Å; D1082-N1086 WeakPolarHBondContact O-CB 3.45Å; D1082-N1086 PolarHBondContact O-N 3.45Å; D1082-N1086 PolarHBondContact O-OD1 3.4Å; D1082-H1277 HydrophobicContact CB-CB 3.99Å; D1082-H1277 IonicContact OD1-CE1 3.44Å; D1082-H1277 IonicContact OD1-CG 2.66Å; D1082-H1277 IonicContact OD1-ND1 2.61Å; D1082-H1277 PolarHBondContact OD1-ND1 3.4Å; D1082-L1279 HydrophobicContact CB-CD2 4.02Å
1083A78.9Confident79.4Confident4 Ų457.1 Ų57.13%0.03328%0.284CS..Hα-helixtrans-72.3-37176.200000112.4S1080 D1081 L1087 L1279S1080-A1083 CarbonylContact O-C 3.58Å; S1080-A1083 WeakPolarHBondContact O-CA 3.48Å; S1080-A1083 WeakPolarHBondContact O-CB 3.49Å; S1080-A1083 PolarHBondContact O-N 2.9Å; D1081-A1083 PolarHBondContact O-N 3.22Å; A1083-L1087 WeakPolarHBondContact O-CB 3.39Å; A1083-L1087 PolarHBondContact O-N 3.15Å; A1083-L1279 HydrophobicContact CB-CD2 4.04Å
1084R82.7Confident79.9Confident80 Ų8056.5 Ų56.530%0.30228%0.279SS..Hα-helixtrans-63.3-45173.1-179166.170.4143.4-5.6110.8S1073 I1076 S1080 D1081 S1088S1073-R1084 PolarHBondContact O-NH1 2.71Å; I1076-R1084 HydrophobicContact CB-CG 4.31Å; I1076-R1084 HydrophobicContact CG2-CG 4.19Å; I1076-R1084 WeakPolarHBondContact O-CD 3.44Å; S1080-R1084 PolarHBondContact O-N 3.43Å; D1081-R1084 PolarHBondContact O-N 3.05Å; D1081-R1084 IonicContact OD1-CZ 2.63Å; D1081-R1084 IonicContact OD1-NE 2.83Å; D1081-R1084 PolarHBondContact OD1-NE 3.1Å; D1081-R1084 IonicContact OD1-NH2 2.89Å; D1081-R1084 PolarHBondContact OD1-NH2 2.91Å; R1084-S1088 WeakPolarHBondContact O-CB 3.43Å; R1084-S1088 PolarHBondContact O-N 3.44Å; R1084-S1088 PolarHBondContact O-OG 3.26Å
1085F84.8Confident79.9Confident42 Ų4251 Ų5118%0.18426%0.26CS..Hα-helixtrans-57.8-56.8172.8-177.4-89.4000110.9D1081 L1087 S1088 Y1089 I1095 V1098 H1277D1081-F1085 VanDerWaalsContact O-CB 3.29Å; D1081-F1085 WeakPolarHBondContact O-CB 3.24Å; D1081-F1085 PolarHBondContact O-N 3.3Å; F1085-L1087 VanDerWaalsContact C-N 3.3Å; F1085-L1087 PolarHBondContact O-N 3.33Å; F1085-S1088 PolarHBondContact O-N 3.01Å; F1085-S1088 VanDerWaalsContact O-N 3.08Å; F1085-S1088 PolarHBondContact O-OG 3.09Å; F1085-Y1089 PolarHBondContact O-N 3.3Å; F1085-I1095 HydrophobicContact CD2-CD1 4.38Å; F1085-I1095 HydrophobicContact CD2-CG2 4.48Å; F1085-I1095 HydrophobicContact CE2-CD1 4.26Å; F1085-I1095 HydrophobicContact CE2-CG2 4.29Å; F1085-V1098 HydrophobicContact CE2-CG2 3.5Å; F1085-V1098 VanDerWaalsContact CE2-CG2 3.5Å; F1085-V1098 HydrophobicContact CZ-CG2 3.68Å; F1085-H1277 HydrophobicContact CD1-CB 4.47Å; F1085-H1277 AromaticContact CD1-CD2 3.62Å; F1085-H1277 AromaticContact CD1-CG 3.86Å; F1085-H1277 AromaticContact CD1-NE2 3.89Å; F1085-H1277 AromaticContact CE1-CD2 3.47Å; F1085-H1277 VanDerWaalsContact CE1-CD2 3.47Å; F1085-H1277 WeakPolarHBondContact CE1-CD2 3.37Å; F1085-H1277 AromaticContact CE1-NE2 3.62Å; F1085-H1277 AromaticContact CZ-NE2 3.82Å
1086N87Confident80.2Confident1 Ų142.7 Ų42.71%0.00523%0.228CC..Hα-helixtrans-54.5-44179.9-72-3.1000112.7D1082 Y1089 L1090 C1244 V1245 C1276 H1277D1082-N1086 WeakPolarHBondContact O-CB 3.45Å; D1082-N1086 PolarHBondContact O-N 3.45Å; D1082-N1086 PolarHBondContact O-OD1 3.4Å; N1086-Y1089 PolarHBondContact O-N 3.04Å; N1086-L1090 WeakPolarHBondContact O-CB 3.15Å; N1086-L1090 WeakPolarHBondContact O-CD1 3.3Å; N1086-L1090 VanDerWaalsContact O-CG 3.29Å; N1086-L1090 WeakPolarHBondContact O-CG 3.41Å; N1086-L1090 PolarHBondContact O-N 3.19Å; N1086-C1244 PolarHBondContact ND2-O 3.39Å; N1086-V1245 HydrophobicContact CB-CG2 4.28Å; N1086-C1276 WeakPolarHBondContact OD1-CA 3.12Å; N1086-C1276 WeakPolarHBondContact OD1-CB 3.49Å; N1086-H1277 PolarHBondContact ND2-O 2.9Å; N1086-H1277 PolarHBondContact OD1-N 2.92Å
1087L85.6Confident80.1Confident28 Ų2844.6 Ų44.615%0.14725%0.253CS..Hα-helixtrans-66-43.6177.9-177.658.1000111.8I1076 A1083 F1085 Y1089 L1090 L1091 V1245I1076-L1087 HydrophobicContact CD1-CD2 4.38Å; I1076-L1087 HydrophobicContact CG2-CD2 3.86Å; A1083-L1087 WeakPolarHBondContact O-CB 3.39Å; A1083-L1087 PolarHBondContact O-N 3.15Å; F1085-L1087 VanDerWaalsContact C-N 3.3Å; F1085-L1087 PolarHBondContact O-N 3.33Å; L1087-Y1089 VanDerWaalsContact C-N 3.35Å; L1087-Y1089 PolarHBondContact O-N 2.99Å; L1087-L1090 PolarHBondContact O-N 3.44Å; L1087-L1091 HydrophobicContact CD1-CD1 3.87Å; L1087-L1091 HydrophobicContact CD1-CG 4.09Å; L1087-L1091 HydrophobicContact CG-CD1 3.95Å; L1087-L1091 WeakPolarHBondContact O-CB 3.34Å; L1087-L1091 VanDerWaalsContact O-CG 3.23Å; L1087-L1091 WeakPolarHBondContact O-CG 3.45Å; L1087-L1091 PolarHBondContact O-N 3.46Å; L1087-V1245 HydrophobicContact CB-CG1 4.23Å; L1087-V1245 HydrophobicContact CB-CG2 4Å; L1087-V1245 HydrophobicContact CD1-CG2 4.32Å
1088S86Confident80.6Confident10 Ų1041.2 Ų41.27%0.0723%0.231CC..Hα-helixtrans-65.1-36.9177.163.30000113.1R1084 F1085 N1092 L1093 I1095R1084-S1088 WeakPolarHBondContact O-CB 3.43Å; R1084-S1088 PolarHBondContact O-N 3.44Å; R1084-S1088 PolarHBondContact O-OG 3.26Å; F1085-S1088 PolarHBondContact O-N 3.01Å; F1085-S1088 VanDerWaalsContact O-N 3.08Å; F1085-S1088 PolarHBondContact O-OG 3.09Å; S1088-N1092 PolarHBondContact O-N 3.31Å; S1088-L1093 PolarHBondContact O-N 3.36Å; S1088-L1093 VanDerWaalsContact O-N 3.09Å; S1088-I1095 WeakPolarHBondContact OG-CD1 3.37Å
1089Y87.2Confident81Confident4 Ų443.8 Ų43.82%0.01624%0.237CC..Hα-helixtrans-66-49.8174.8-171.8-81.9000111.6F1085 N1086 L1087 L1091 N1092 V1098 W1100 P1101 E1275F1085-Y1089 PolarHBondContact O-N 3.3Å; N1086-Y1089 PolarHBondContact O-N 3.04Å; L1087-Y1089 VanDerWaalsContact C-N 3.35Å; L1087-Y1089 PolarHBondContact O-N 2.99Å; Y1089-L1091 VanDerWaalsContact C-N 3.26Å; Y1089-L1091 PolarHBondContact O-N 3.17Å; Y1089-N1092 WeakPolarHBondContact O-CA 3.29Å; Y1089-N1092 PolarHBondContact O-N 3.06Å; Y1089-V1098 HydrophobicContact CD2-CG1 4.26Å; Y1089-V1098 HydrophobicContact CE2-CG1 4.08Å; Y1089-W1100 HydrophobicContact CD2-CH2 4.24Å; Y1089-W1100 HydrophobicContact CD2-CZ3 4.12Å; Y1089-W1100 HydrophobicContact CE2-CE3 4.18Å; Y1089-W1100 HydrophobicContact CE2-CH2 4.42Å; Y1089-W1100 AromaticContact CE2-CZ3 3.89Å; Y1089-W1100 HydrophobicContact CE2-CZ3 3.89Å; Y1089-P1101 WeakPolarHBondContact OH-CD 3.35Å; Y1089-E1275 HydrophobicContact CE1-CB 3.84Å; Y1089-E1275 HydrophobicContact CE2-CB 3.85Å; Y1089-E1275 VanDerWaalsContact CZ-CB 3.45Å; Y1089-E1275 WeakPolarHBondContact OH-CB 3.49Å; Y1089-E1275 WeakPolarHBondContact OH-CG 3.28Å
1090L85.7Confident81.6Confident1 Ų140.1 Ų40.11%0.00522%0.223CC..Hα-helixtrans-67.2-24.5-179.9-72.5165.1000113.5A1017 N1086 L1087 N1092 C1244 V1245A1017-L1090 VanDerWaalsContact CB-O 3.23Å; A1017-L1090 WeakPolarHBondContact CB-O 3.5Å; A1017-L1090 PolarHBondContact N-O 2.85Å; N1086-L1090 WeakPolarHBondContact O-CB 3.15Å; N1086-L1090 WeakPolarHBondContact O-CD1 3.3Å; N1086-L1090 VanDerWaalsContact O-CG 3.29Å; N1086-L1090 WeakPolarHBondContact O-CG 3.41Å; N1086-L1090 PolarHBondContact O-N 3.19Å; L1087-L1090 PolarHBondContact O-N 3.44Å; L1090-N1092 VanDerWaalsContact C-N 3.27Å; L1090-C1244 HydrophobicContact CD1-CB 3.6Å; L1090-V1245 HydrophobicContact CD1-CG2 4.19Å
1091L85.9Confident82.1Confident80 Ų8039.3 Ų39.342%0.41922%0.217SC..THydrogen-bonded Turntrans-82-1.8169.8-68.7173.3000113.4A1017 L1087 Y1089 L1093A1017-L1091 HydrophobicContact CB-CD2 4.18Å; L1087-L1091 HydrophobicContact CD1-CD1 3.87Å; L1087-L1091 HydrophobicContact CD1-CG 4.09Å; L1087-L1091 HydrophobicContact CG-CD1 3.95Å; L1087-L1091 WeakPolarHBondContact O-CB 3.34Å; L1087-L1091 VanDerWaalsContact O-CG 3.23Å; L1087-L1091 WeakPolarHBondContact O-CG 3.45Å; L1087-L1091 PolarHBondContact O-N 3.46Å; Y1089-L1091 VanDerWaalsContact C-N 3.26Å; Y1089-L1091 PolarHBondContact O-N 3.17Å; L1091-L1093 VanDerWaalsContact C-N 3.25Å; L1091-L1093 HydrophobicContact CB-CD1 3.96Å; L1091-L1093 HydrophobicContact CB-CG 3.91Å; L1091-L1093 HydrophobicContact CD1-CD1 4.15Å; L1091-L1093 PolarHBondContact O-N 3.4Å
1092N85.3Confident82.6Confident15 Ų1536 Ų368%0.0820%0.201CC..THydrogen-bonded Turntrans56.537.4-179.4-162.192.7000112.7L1018 Y1059 S1088 Y1089 L1090L1018-N1092 HydrophobicContact CD1-CB 4.2Å; Y1059-N1092 PolarHBondContact OH-OD1 2.94Å; S1088-N1092 PolarHBondContact O-N 3.31Å; Y1089-N1092 WeakPolarHBondContact O-CA 3.29Å; Y1089-N1092 PolarHBondContact O-N 3.06Å; L1090-N1092 VanDerWaalsContact C-N 3.27Å
1093L83.5Confident82.9Confident48 Ų4836.7 Ų36.725%0.25121%0.212SC..  trans-87.7149.3175.2-63.3172.3000110.2W1072 S1088 L1091 W1100W1072-L1093 HydrophobicContact CB-CD1 4.17Å; W1072-L1093 HydrophobicContact CD2-CB 4.18Å; W1072-L1093 HydrophobicContact CD2-CD1 4.11Å; W1072-L1093 HydrophobicContact CD2-CD2 4.31Å; W1072-L1093 HydrophobicContact CD2-CG 4.44Å; W1072-L1093 HydrophobicContact CE3-CD2 4.21Å; W1072-L1093 HydrophobicContact CG-CB 4.47Å; W1072-L1093 HydrophobicContact CG-CD1 3.89Å; W1072-L1093 HydrophobicContact CZ2-CB 4.1Å; W1072-L1093 HydrophobicContact CZ3-CD2 4.38Å; S1088-L1093 PolarHBondContact O-N 3.36Å; S1088-L1093 VanDerWaalsContact O-N 3.09Å; L1091-L1093 VanDerWaalsContact C-N 3.25Å; L1091-L1093 HydrophobicContact CB-CD1 3.96Å; L1091-L1093 HydrophobicContact CB-CG 3.91Å; L1091-L1093 HydrophobicContact CD1-CD1 4.15Å; L1091-L1093 PolarHBondContact O-N 3.4Å; L1093-W1100 WeakPolarHBondContact O-CH2 3.39Å; L1093-W1100 WeakPolarHBondContact O-CZ2 3.45Å
1094S84.2Confident83.4Confident12 Ų1237.3 Ų37.38%0.08421%0.214CC..  trans-71.8138.6-178.259.20000112.8S1058 Y1070 W1072S1058-S1094 WeakPolarHBondContact O-CB 3.45Å; Y1070-S1094 WeakPolarHBondContact CD1-OG 3.5Å; Y1070-S1094 VanDerWaalsContact CD2-O 3.31Å; Y1070-S1094 WeakPolarHBondContact CD2-O 3.44Å; Y1070-S1094 WeakPolarHBondContact CE1-OG 3.38Å; Y1070-S1094 VanDerWaalsContact CZ-OG 3.32Å; W1072-S1094 VanDerWaalsContact CZ2-O 3.25Å; W1072-S1094 WeakPolarHBondContact CZ2-O 3.34Å; W1072-S1094 VanDerWaalsContact CZ2-OG 3.24Å; W1072-S1094 WeakPolarHBondContact CZ2-OG 3.43Å; W1072-S1094 PolarHBondContact NE1-O 2.78Å
1095I79.1Confident83.8Confident33 Ų3333.5 Ų33.517%0.16920%0.199CC..  trans-135.2138.9-176.9-48.8168.8000107.4F1085 S1088 V1098F1085-I1095 HydrophobicContact CD2-CD1 4.38Å; F1085-I1095 HydrophobicContact CD2-CG2 4.48Å; F1085-I1095 HydrophobicContact CE2-CD1 4.26Å; F1085-I1095 HydrophobicContact CE2-CG2 4.29Å; S1088-I1095 WeakPolarHBondContact OG-CD1 3.37Å; I1095-V1098 HydrophobicContact CB-CB 4.44Å; I1095-V1098 HydrophobicContact CB-CG2 3.89Å; I1095-V1098 HydrophobicContact CD1-CG2 4.34Å; I1095-V1098 HydrophobicContact CG2-CG2 3.84Å
1096Y78.7Confident84Confident40 Ų4033.3 Ų33.316%0.15720%0.2CC..THydrogen-bonded Turntrans-72140.6174.1-72.7-67.2000111.5H909 L1062 P1064 I1068 Y1070 V1098H909-Y1096 HydrophobicContact CB-CD2 4Å; H909-Y1096 HydrophobicContact CB-CG 3.99Å; L1062-Y1096 WeakPolarHBondContact O-CE1 3.45Å; P1064-Y1096 HydrophobicContact CB-CD1 3.82Å; P1064-Y1096 HydrophobicContact CB-CE1 3.71Å; I1068-Y1096 WeakPolarHBondContact O-CE2 3.32Å; I1068-Y1096 PolarHBondContact O-OH 3.35Å; Y1070-Y1096 AromaticContact CD2-CD2 3.84Å; Y1070-Y1096 HydrophobicContact CD2-CD2 3.84Å; Y1070-Y1096 AromaticContact CD2-CE2 3.66Å; Y1070-Y1096 HydrophobicContact CD2-CE2 3.66Å; Y1070-Y1096 HydrophobicContact CE2-CD1 4.21Å; Y1070-Y1096 AromaticContact CE2-CD2 3.47Å; Y1070-Y1096 HydrophobicContact CE2-CD2 3.47Å; Y1070-Y1096 VanDerWaalsContact CE2-CD2 3.47Å; Y1070-Y1096 HydrophobicContact CE2-CE1 4.06Å; Y1070-Y1096 AromaticContact CE2-CE2 3.28Å; Y1070-Y1096 HydrophobicContact CE2-CE2 3.28Å; Y1070-Y1096 AromaticContact CE2-CG 3.94Å; Y1070-Y1096 HydrophobicContact CE2-CG 3.94Å; Y1070-Y1096 AromaticContact CE2-CZ 3.62Å; Y1070-Y1096 AromaticContact CZ-CE2 3.89Å; Y1070-Y1096 AromaticContact CZ-CZ 3.75Å; Y1096-V1098 VanDerWaalsContact C-N 3.32Å; Y1096-V1098 PolarHBondContact O-N 2.87Å
1097G70Confident84.1Confident62 Ų6233.9 Ų33.964%0.63921%0.206SC*.THydrogen-bonded Turntrans80.7-4.3176.900000116.6
1098V74.3Confident84.4Confident28 Ų2832.5 Ų32.517%0.1720%0.199CC..  trans-94.3123.4179.2-177.10000111.1F1085 Y1089 I1095 Y1096 W1100F1085-V1098 HydrophobicContact CE2-CG2 3.5Å; F1085-V1098 VanDerWaalsContact CE2-CG2 3.5Å; F1085-V1098 HydrophobicContact CZ-CG2 3.68Å; Y1089-V1098 HydrophobicContact CD2-CG1 4.26Å; Y1089-V1098 HydrophobicContact CE2-CG1 4.08Å; I1095-V1098 HydrophobicContact CB-CB 4.44Å; I1095-V1098 HydrophobicContact CB-CG2 3.89Å; I1095-V1098 HydrophobicContact CD1-CG2 4.34Å; I1095-V1098 HydrophobicContact CG2-CG2 3.84Å; Y1096-V1098 VanDerWaalsContact C-N 3.32Å; Y1096-V1098 PolarHBondContact O-N 2.87Å; V1098-W1100 PolarHBondContact O-N 3.35Å
1099N77.7Confident84.6Confident145 Ų14532.2 Ų32.278%0.77520%0.196SC*.  trans-87.1104.6173.9-71.7-36.8000110.4
1100W84.9Confident84.8Confident18 Ų1836 Ų367%0.06821%0.213CC..  trans-64.5133.4-179.2-64.491.9000112.7I844 Y1059 Y1089 L1093 V1098 S1102I844-W1100 HydrophobicContact CD1-CB 4.35Å; Y1059-W1100 HydrophobicContact CD1-CB 4.13Å; Y1059-W1100 AromaticContact CD1-CD1 3.89Å; Y1059-W1100 AromaticContact CD1-CD2 3.52Å; Y1059-W1100 HydrophobicContact CD1-CD2 3.52Å; Y1059-W1100 AromaticContact CD1-CE2 3.89Å; Y1059-W1100 AromaticContact CD1-CE3 3.95Å; Y1059-W1100 HydrophobicContact CD1-CE3 3.95Å; Y1059-W1100 AromaticContact CD1-CG 3.57Å; Y1059-W1100 HydrophobicContact CD1-CG 3.57Å; Y1059-W1100 HydrophobicContact CD2-CB 3.49Å; Y1059-W1100 VanDerWaalsContact CD2-CB 3.49Å; Y1059-W1100 HydrophobicContact CD2-CD2 4.49Å; Y1059-W1100 AromaticContact CD2-CG 3.85Å; Y1059-W1100 HydrophobicContact CD2-CG 3.85Å; Y1059-W1100 HydrophobicContact CE1-CB 4.36Å; Y1059-W1100 AromaticContact CE1-CD2 3.59Å; Y1059-W1100 HydrophobicContact CE1-CD2 3.59Å; Y1059-W1100 AromaticContact CE1-CE3 3.5Å; Y1059-W1100 HydrophobicContact CE1-CE3 3.5Å; Y1059-W1100 VanDerWaalsContact CE1-CE3 3.5Å; Y1059-W1100 AromaticContact CE1-CG 3.97Å; Y1059-W1100 HydrophobicContact CE1-CG 3.97Å; Y1059-W1100 HydrophobicContact CE1-CZ3 4.08Å; Y1059-W1100 HydrophobicContact CE2-CB 3.73Å; Y1059-W1100 HydrophobicContact CE2-CG 4.21Å; Y1059-W1100 HydrophobicContact CG-CB 3.72Å; Y1059-W1100 AromaticContact CG-CD1 3.78Å; Y1059-W1100 HydrophobicContact CG-CD2 4.03Å; Y1059-W1100 AromaticContact CG-CG 3.53Å; Y1059-W1100 HydrophobicContact CG-CG 3.53Å; Y1059-W1100 AromaticContact CZ-CE3 3.86Å; Y1089-W1100 HydrophobicContact CD2-CH2 4.24Å; Y1089-W1100 HydrophobicContact CD2-CZ3 4.12Å; Y1089-W1100 HydrophobicContact CE2-CE3 4.18Å; Y1089-W1100 HydrophobicContact CE2-CH2 4.42Å; Y1089-W1100 AromaticContact CE2-CZ3 3.89Å; Y1089-W1100 HydrophobicContact CE2-CZ3 3.89Å; L1093-W1100 WeakPolarHBondContact O-CH2 3.39Å; L1093-W1100 WeakPolarHBondContact O-CZ2 3.45Å; V1098-W1100 PolarHBondContact O-N 3.35Å; W1100-S1102 PolarHBondContact O-N 3.38Å
1101P85.3Confident85.2Confident32 Ų3236.3 Ų36.321%0.20822%0.215CC..  trans-70.1122.3-177.427.1-34.3000111.7Y1089 A1103 Y1104Y1089-P1101 WeakPolarHBondContact OH-CD 3.35Å; P1101-A1103 PolarHBondContact O-N 3.18Å; P1101-Y1104 HydrophobicContact CG-CD1 4.39Å; P1101-Y1104 HydrophobicContact CG-CD2 3.8Å; P1101-Y1104 HydrophobicContact CG-CE1 4.16Å; P1101-Y1104 HydrophobicContact CG-CE2 3.54Å; P1101-Y1104 HydrophobicContact CG-CG 4.23Å; P1101-Y1104 PolarHBondContact O-N 3.07Å
1102S87.5Confident85.5Confident35 Ų3532.5 Ų32.525%0.24520%0.195CC..Hα-helixtrans-61.1-20.2-176.269.10000114.2A841 N842 W1100 Y1104 L1105 I1106A841-S1102 WeakPolarHBondContact O-CB 3.41Å; N842-S1102 WeakPolarHBondContact OD1-CB 3.47Å; N842-S1102 PolarHBondContact OD1-OG 3.23Å; W1100-S1102 PolarHBondContact O-N 3.38Å; S1102-Y1104 VanDerWaalsContact C-N 3.27Å; S1102-Y1104 PolarHBondContact O-N 3.21Å; S1102-L1105 PolarHBondContact O-N 2.86Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.18Å; S1102-I1106 PolarHBondContact O-N 3.4Å; S1102-I1106 VanDerWaalsContact O-N 3.15Å
1103A87.2Confident85.7Confident52 Ų5232.8 Ų32.843%0.4320%0.196SC..Hα-helixtrans-56.6-34.9176.300000113.6P1101 I1106 G1107P1101-A1103 PolarHBondContact O-N 3.18Å; A1103-I1106 PolarHBondContact O-N 3.06Å; A1103-G1107 PolarHBondContact O-N 2.95Å
1104Y89.6Confident86.1Confident17 Ų1732.7 Ų32.77%0.06720%0.196CC..Hα-helixtrans-67-53.5-179.2-61.2-10.8000110.5N1013 R1014 P1101 S1102 I1106 G1107 D1108N1013-Y1104 WeakPolarHBondContact O-CE1 3.32Å; R1014-Y1104 HydrophobicContact CG-CD1 4.2Å; R1014-Y1104 HydrophobicContact CG-CG 4.35Å; P1101-Y1104 HydrophobicContact CG-CD1 4.39Å; P1101-Y1104 HydrophobicContact CG-CD2 3.8Å; P1101-Y1104 HydrophobicContact CG-CE1 4.16Å; P1101-Y1104 HydrophobicContact CG-CE2 3.54Å; P1101-Y1104 HydrophobicContact CG-CG 4.23Å; P1101-Y1104 PolarHBondContact O-N 3.07Å; S1102-Y1104 VanDerWaalsContact C-N 3.27Å; S1102-Y1104 PolarHBondContact O-N 3.21Å; Y1104-I1106 PolarHBondContact O-N 2.95Å; Y1104-I1106 VanDerWaalsContact O-N 3.17Å; Y1104-G1107 WeakPolarHBondContact O-CA 3.25Å; Y1104-G1107 PolarHBondContact O-N 3.26Å; Y1104-D1108 PolarHBondContact O-N 3.12Å
1105L89.5Confident86.4Confident0 Ų032.2 Ų32.20%019%0.192CC..Hα-helixtrans-56.5-34.7175.2-73.4170.3000112.8A841 Y1052 Q1055 F1056 Y1059 S1102 F1109A841-L1105 HydrophobicContact CB-CB 4.21Å; Y1052-L1105 HydrophobicContact CD2-CD2 4.23Å; Y1052-L1105 HydrophobicContact CE2-CB 4.31Å; Y1052-L1105 HydrophobicContact CE2-CD2 4.1Å; Y1052-L1105 WeakPolarHBondContact CE2-O 3.45Å; Q1055-L1105 HydrophobicContact CB-CD2 4.32Å; Q1055-L1105 HydrophobicContact CG-CD2 4.05Å; F1056-L1105 HydrophobicContact CD2-CD1 3.92Å; Y1059-L1105 HydrophobicContact CD2-CD1 3.74Å; Y1059-L1105 HydrophobicContact CD2-CD2 4.48Å; Y1059-L1105 HydrophobicContact CD2-CG 4.04Å; Y1059-L1105 HydrophobicContact CE2-CD1 3.98Å; Y1059-L1105 HydrophobicContact CE2-CD2 4.29Å; Y1059-L1105 HydrophobicContact CE2-CG 3.77Å; S1102-L1105 PolarHBondContact O-N 2.86Å; L1105-F1109 WeakPolarHBondContact O-CB 3.16Å; L1105-F1109 PolarHBondContact O-N 3.03Å
1106I90.2Very high86.9Confident39 Ų3931.5 Ų31.520%0.219%0.191CC..Hα-helixtrans-69.5-39.3176-68167000110.9I838 A841 S1102 A1103 Y1104 F1110I838-I1106 HydrophobicContact CG1-CD1 4.33Å; A841-I1106 HydrophobicContact CB-CD1 4.18Å; A841-I1106 HydrophobicContact CB-CG1 3.86Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.18Å; S1102-I1106 PolarHBondContact O-N 3.4Å; S1102-I1106 VanDerWaalsContact O-N 3.15Å; A1103-I1106 PolarHBondContact O-N 3.06Å; Y1104-I1106 PolarHBondContact O-N 2.95Å; Y1104-I1106 VanDerWaalsContact O-N 3.17Å; I1106-F1110 HydrophobicContact CG2-CD2 3.8Å; I1106-F1110 HydrophobicContact CG2-CE2 3.69Å; I1106-F1110 WeakPolarHBondContact O-CD2 3.45Å; I1106-F1110 PolarHBondContact O-N 3.31Å
1107G89.5Confident87.4Confident12 Ų1230.9 Ų30.912%0.12419%0.192CC..Hα-helixtrans-59.1-56.3171.700000112.2A1103 Y1104 F1109 F1110 V1111A1103-G1107 PolarHBondContact O-N 2.95Å; Y1104-G1107 WeakPolarHBondContact O-CA 3.25Å; Y1104-G1107 PolarHBondContact O-N 3.26Å; G1107-F1109 VanDerWaalsContact C-N 3.27Å; G1107-F1109 PolarHBondContact O-N 3.46Å; G1107-F1110 PolarHBondContact O-N 3.16Å; G1107-V1111 WeakPolarHBondContact O-CG2 3.28Å; G1107-V1111 PolarHBondContact O-N 3.14Å
1108D90.4Very high88.4Confident0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-55.1-41.6177.4-66.9-64.4000111.9R1014 M1048 Y1052 Q1055 Y1104 V1111 L1112R1014-D1108 IonicContact CZ-OD2 3.21Å; R1014-D1108 IonicContact NH1-OD1 2.8Å; R1014-D1108 PolarHBondContact NH1-OD1 2.91Å; R1014-D1108 IonicContact NH1-OD2 2.79Å; R1014-D1108 PolarHBondContact NH1-OD2 3.2Å; M1048-D1108 HydrophobicContact CE-CB 4.04Å; Y1052-D1108 HydrophobicContact CD2-CB 4.29Å; Q1055-D1108 VanDerWaalsContact CD-OD2 3.31Å; Q1055-D1108 PolarHBondContact NE2-OD2 3.31Å; Q1055-D1108 PolarHBondContact OE1-OD2 2.92Å; Y1104-D1108 PolarHBondContact O-N 3.12Å; D1108-V1111 PolarHBondContact O-N 3.4Å; D1108-L1112 WeakPolarHBondContact O-CB 3.43Å; D1108-L1112 PolarHBondContact O-N 3.37Å
1109F91.3Very high89.1Confident3 Ų327.5 Ų27.51%0.01316%0.158CC..Hα-helixtrans-63.6-43.4175.6179.8-92.5000112.8F833 V834 A837 L855 I859 Y1052 L1105 G1107 L1112 L1113F833-F1109 HydrophobicContact CB-CZ 4.27Å; V834-F1109 HydrophobicContact CG2-CE1 3.88Å; A837-F1109 HydrophobicContact CB-CD1 3.79Å; A837-F1109 HydrophobicContact CB-CD2 3.72Å; A837-F1109 HydrophobicContact CB-CE1 3.72Å; A837-F1109 HydrophobicContact CB-CE2 3.62Å; A837-F1109 HydrophobicContact CB-CG 3.8Å; A837-F1109 HydrophobicContact CB-CZ 3.63Å; L855-F1109 HydrophobicContact CD1-CE2 4.31Å; L855-F1109 HydrophobicContact CD2-CD2 4.41Å; L855-F1109 HydrophobicContact CD2-CE2 3.81Å; L855-F1109 HydrophobicContact CG-CE2 4.03Å; I859-F1109 HydrophobicContact CD1-CD2 4.29Å; I859-F1109 HydrophobicContact CD1-CE2 3.32Å; I859-F1109 HydrophobicContact CD1-CZ 3.61Å; Y1052-F1109 HydrophobicContact CD2-CB 4.41Å; Y1052-F1109 HydrophobicContact CE1-CD2 4.23Å; Y1052-F1109 HydrophobicContact CE2-CB 3.86Å; Y1052-F1109 HydrophobicContact CE2-CD2 4.35Å; Y1052-F1109 AromaticContact CZ-CD2 3.92Å; L1105-F1109 WeakPolarHBondContact O-CB 3.16Å; L1105-F1109 PolarHBondContact O-N 3.03Å; G1107-F1109 VanDerWaalsContact C-N 3.27Å; G1107-F1109 PolarHBondContact O-N 3.46Å; F1109-L1112 PolarHBondContact O-N 2.88Å; F1109-L1113 HydrophobicContact CE1-CD2 4.26Å; F1109-L1113 WeakPolarHBondContact O-CB 3.31Å; F1109-L1113 PolarHBondContact O-N 3.46Å
1110F92Very high89.4Confident84 Ų8422.7 Ų22.737%0.36814%0.139SC..Hα-helixtrans-67.1-38.9175.9-84.6-62.8000112V834 I1106 G1107 L1113 L1114V834-F1110 HydrophobicContact CG1-CZ 4.25Å; V834-F1110 HydrophobicContact CG2-CE1 4.19Å; V834-F1110 HydrophobicContact CG2-CZ 4.44Å; I1106-F1110 HydrophobicContact CG2-CD2 3.8Å; I1106-F1110 HydrophobicContact CG2-CE2 3.69Å; I1106-F1110 WeakPolarHBondContact O-CD2 3.45Å; I1106-F1110 PolarHBondContact O-N 3.31Å; G1107-F1110 PolarHBondContact O-N 3.16Å; F1110-L1113 HydrophobicContact CD1-CD2 4.48Å; F1110-L1113 PolarHBondContact O-N 2.72Å; F1110-L1114 WeakPolarHBondContact O-CB 3.22Å; F1110-L1114 VanDerWaalsContact O-CG 3.26Å; F1110-L1114 WeakPolarHBondContact O-CG 3.18Å; F1110-L1114 PolarHBondContact O-N 2.8Å
1111V92.7Very high89.5Confident7 Ų722.5 Ų22.54%0.04214%0.139CC..Hα-helixtrans-61.5-45.1173.5173.10000110.5I1007 D1010 Y1044 M1048 G1107 D1108 L1114 A1115I1007-V1111 HydrophobicContact CG1-CG1 4.3Å; D1010-V1111 HydrophobicContact CB-CG2 4.05Å; Y1044-V1111 HydrophobicContact CE1-CG1 4.11Å; Y1044-V1111 WeakPolarHBondContact OH-CG1 3.22Å; M1048-V1111 HydrophobicContact CE-CB 4.17Å; M1048-V1111 HydrophobicContact CE-CG1 3.94Å; M1048-V1111 HydrophobicContact CG-CG1 4.28Å; M1048-V1111 HydrophobicContact SD-CG1 4.25Å; G1107-V1111 WeakPolarHBondContact O-CG2 3.28Å; G1107-V1111 PolarHBondContact O-N 3.14Å; D1108-V1111 PolarHBondContact O-N 3.4Å; V1111-L1114 PolarHBondContact O-N 2.95Å; V1111-A1115 WeakPolarHBondContact O-CB 3.31Å; V1111-A1115 PolarHBondContact O-N 3.44Å
1112L92.3Very high89.7Confident0 Ų021.7 Ų21.70%013%0.132CC..Hα-helixtrans-61.8-44.1174.6176.758000112.5I859 M1048 A1049 D1108 F1109 S1116I859-L1112 HydrophobicContact CG2-CG 4.47Å; M1048-L1112 HydrophobicContact CB-CB 4.24Å; M1048-L1112 HydrophobicContact CB-CD1 3.95Å; A1049-L1112 HydrophobicContact CB-CD1 4.04Å; D1108-L1112 WeakPolarHBondContact O-CB 3.43Å; D1108-L1112 PolarHBondContact O-N 3.37Å; F1109-L1112 PolarHBondContact O-N 2.88Å; L1112-S1116 VanDerWaalsContact O-CB 3.28Å; L1112-S1116 WeakPolarHBondContact O-CB 3.23Å; L1112-S1116 PolarHBondContact O-N 3.37Å; L1112-S1116 PolarHBondContact O-OG 2.79Å
1113L90.2Very high89.6Confident21 Ų2128.8 Ų28.811%0.1115%0.154CC..Hα-helixtrans-65.8-39.5179.1-17962.2000112.3V834 F1109 F1110 S1116 C1117V834-L1113 HydrophobicContact CG2-CD2 4.15Å; F1109-L1113 HydrophobicContact CE1-CD2 4.26Å; F1109-L1113 WeakPolarHBondContact O-CB 3.31Å; F1109-L1113 PolarHBondContact O-N 3.46Å; F1110-L1113 HydrophobicContact CD1-CD2 4.48Å; F1110-L1113 PolarHBondContact O-N 2.72Å; L1113-S1116 WeakPolarHBondContact CA-OG 3.04Å; L1113-S1116 PolarHBondContact O-OG 2.96Å; L1113-S1116 VanDerWaalsContact O-OG 3.05Å; L1113-C1117 WeakPolarHBondContact O-CB 3.47Å; L1113-C1117 PolarHBondContact O-N 3.01Å; L1113-C1117 VanDerWaalsContact O-N 3.15Å; L1113-C1117 PolarHBondContact O-SG 3.34Å
1114L91.7Very high89.4Confident47 Ų4735.6 Ų35.625%0.24617%0.168CC..Hα-helixtrans-75.6-40177.1-66.6173.4000111.6F995 T1003 A1006 F1110 V1111 C1117 Q1118F995-L1114 HydrophobicContact CE2-CD2 4.02Å; T1003-L1114 HydrophobicContact CG2-CB 3.7Å; A1006-L1114 HydrophobicContact CB-CD1 3.83Å; F1110-L1114 WeakPolarHBondContact O-CB 3.22Å; F1110-L1114 VanDerWaalsContact O-CG 3.26Å; F1110-L1114 WeakPolarHBondContact O-CG 3.18Å; F1110-L1114 PolarHBondContact O-N 2.8Å; V1111-L1114 PolarHBondContact O-N 2.95Å; L1114-C1117 PolarHBondContact O-N 3.08Å; L1114-Q1118 WeakPolarHBondContact O-CB 3.36Å; L1114-Q1118 PolarHBondContact O-N 3.43Å
1115A91.3Very high88.8Confident1 Ų135.6 Ų35.61%0.00817%0.169CC..Hα-helixtrans-67.4-38.9178.300000112.5W1041 Y1044 V1045 V1111 Q1118 L1119W1041-A1115 HydrophobicContact CZ2-CB 4.02Å; W1041-A1115 PolarHBondContact NE1-O 3.27Å; Y1044-A1115 HydrophobicContact CD1-CB 4.14Å; Y1044-A1115 HydrophobicContact CE1-CB 4.08Å; V1045-A1115 HydrophobicContact CG2-CB 3.86Å; V1045-A1115 WeakPolarHBondContact CG2-O 3.46Å; V1111-A1115 WeakPolarHBondContact O-CB 3.31Å; V1111-A1115 PolarHBondContact O-N 3.44Å; A1115-Q1118 PolarHBondContact O-N 2.96Å; A1115-L1119 PolarHBondContact O-N 3.12Å
1116S89.5Confident88Confident19 Ų1937.8 Ų37.813%0.13319%0.192CC..Hα-helixtrans-67.2-39.4172.256.30000112.3L1112 L1113 Q1118 L1119 A1120L1112-S1116 VanDerWaalsContact O-CB 3.28Å; L1112-S1116 WeakPolarHBondContact O-CB 3.23Å; L1112-S1116 PolarHBondContact O-N 3.37Å; L1112-S1116 PolarHBondContact O-OG 2.79Å; L1113-S1116 WeakPolarHBondContact CA-OG 3.04Å; L1113-S1116 PolarHBondContact O-OG 2.96Å; L1113-S1116 VanDerWaalsContact O-OG 3.05Å; S1116-Q1118 PolarHBondContact O-N 3.01Å; S1116-L1119 PolarHBondContact O-N 2.84Å; S1116-A1120 PolarHBondContact O-N 2.83Å; S1116-A1120 VanDerWaalsContact O-N 3.08Å
1117C88.1Confident87Confident27 Ų2744.1 Ų44.118%0.18222%0.221CC..Hα-helixtrans-61.1-41.8169.5-73.30000112K830 F995 L1113 L1114 A1120 V1121K830-C1117 PolarHBondContact NZ-SG 3.34Å; F995-C1117 HydrophobicContact CE1-CB 3.66Å; F995-C1117 HydrophobicContact CZ-CB 3.89Å; L1113-C1117 WeakPolarHBondContact O-CB 3.47Å; L1113-C1117 PolarHBondContact O-N 3.01Å; L1113-C1117 VanDerWaalsContact O-N 3.15Å; L1113-C1117 PolarHBondContact O-SG 3.34Å; L1114-C1117 PolarHBondContact O-N 3.08Å; C1117-A1120 WeakPolarHBondContact O-CB 3.1Å; C1117-A1120 PolarHBondContact O-N 2.97Å; C1117-V1121 PolarHBondContact O-N 2.85Å
1118Q90.5Very high86Confident0 Ų048.8 Ų48.80%024%0.243CC..Hα-helixtrans-69.8-32178.3-179.853.828.400112.2F995 G999 T1003 W1041 L1114 A1115 S1116 A1120 V1121 F1122F995-Q1118 HydrophobicContact CE1-CB 4.29Å; F995-Q1118 HydrophobicContact CZ-CB 4.19Å; G999-Q1118 VanDerWaalsContact C-OE1 3.31Å; G999-Q1118 VanDerWaalsContact CA-OE1 3.32Å; T1003-Q1118 HydrophobicContact CG2-CB 4.23Å; W1041-Q1118 HydrophobicContact CZ2-CB 4.07Å; W1041-Q1118 HydrophobicContact CZ2-CG 3.9Å; L1114-Q1118 WeakPolarHBondContact O-CB 3.36Å; L1114-Q1118 PolarHBondContact O-N 3.43Å; A1115-Q1118 PolarHBondContact O-N 2.96Å; S1116-Q1118 PolarHBondContact O-N 3.01Å; Q1118-A1120 VanDerWaalsContact C-N 3.32Å; Q1118-A1120 PolarHBondContact O-N 3.18Å; Q1118-V1121 WeakPolarHBondContact O-CB 3.48Å; Q1118-V1121 PolarHBondContact O-N 3.42Å; Q1118-F1122 HydrophobicContact CG-CD2 3.98Å; Q1118-F1122 HydrophobicContact CG-CE2 3.69Å; Q1118-F1122 HydrophobicContact CG-CZ 4.25Å; Q1118-F1122 VanDerWaalsContact NE2-CE1 3.26Å; Q1118-F1122 WeakPolarHBondContact O-CD2 3.45Å; Q1118-F1122 PolarHBondContact O-N 3.18Å
1119L89.5Confident85.2Confident18 Ų1849.1 Ų49.19%0.09424%0.244CC..Hα-helixtrans-63.6-37.8169.1179.957.8000111.8V1042 V1045 A1115 S1116 V1121 F1122 R1123V1042-L1119 HydrophobicContact CG2-CD1 3.99Å; V1045-L1119 HydrophobicContact CB-CD2 4.21Å; V1045-L1119 HydrophobicContact CG1-CD2 4.11Å; V1045-L1119 HydrophobicContact CG2-CB 4.2Å; V1045-L1119 HydrophobicContact CG2-CD2 4.17Å; A1115-L1119 PolarHBondContact O-N 3.12Å; S1116-L1119 PolarHBondContact O-N 2.84Å; L1119-V1121 VanDerWaalsContact C-N 3.3Å; L1119-V1121 PolarHBondContact O-N 3.22Å; L1119-F1122 PolarHBondContact O-N 3.49Å; L1119-R1123 HydrophobicContact CD1-CG 4.41Å; L1119-R1123 WeakPolarHBondContact O-CB 3.33Å; L1119-R1123 WeakPolarHBondContact O-CG 3.46Å; L1119-R1123 PolarHBondContact O-N 3.21Å
1120A85Confident84.1Confident45 Ų4553 Ų5337%0.37227%0.265SS..Hα-helixtrans-69.6-24.6173.500000113.4S1116 C1117 Q1118 R1124S1116-A1120 PolarHBondContact O-N 2.83Å; S1116-A1120 VanDerWaalsContact O-N 3.08Å; C1117-A1120 WeakPolarHBondContact O-CB 3.1Å; C1117-A1120 PolarHBondContact O-N 2.97Å; Q1118-A1120 VanDerWaalsContact C-N 3.32Å; Q1118-A1120 PolarHBondContact O-N 3.18Å; A1120-R1124 WeakPolarHBondContact O-CD 3.43Å; A1120-R1124 WeakPolarHBondContact O-CG 3.5Å
1121V87Confident83.2Confident14 Ų1450.8 Ų50.89%0.08526%0.26CS..Hα-helixtrans-73.1-52.5167.61710000110.5F995 Y996 C1117 Q1118 L1119 R1123 R1124 E1125F995-V1121 HydrophobicContact CD1-CG2 3.87Å; F995-V1121 HydrophobicContact CE1-CG2 4.04Å; Y996-V1121 HydrophobicContact CD2-CG1 3.83Å; Y996-V1121 HydrophobicContact CE2-CG1 4.31Å; C1117-V1121 PolarHBondContact O-N 2.85Å; Q1118-V1121 WeakPolarHBondContact O-CB 3.48Å; Q1118-V1121 PolarHBondContact O-N 3.42Å; L1119-V1121 VanDerWaalsContact C-N 3.3Å; L1119-V1121 PolarHBondContact O-N 3.22Å; V1121-R1123 PolarHBondContact O-N 3.43Å; V1121-R1124 CarbonylContact O-C 3.36Å; V1121-R1124 WeakPolarHBondContact O-CA 3.44Å; V1121-R1124 PolarHBondContact O-N 3.12Å; V1121-E1125 WeakPolarHBondContact O-CB 3.34Å; V1121-E1125 PolarHBondContact O-N 3.41Å; V1121-E1125 VanDerWaalsContact O-N 3.12Å
1122F88.2Confident82.3Confident14 Ų1452 Ų526%0.06127%0.266CS..Hα-helixtrans-59-30.4-179.5-77-43.3000113.5L1000 R1038 W1041 Q1118 L1119 R1124 E1125L1000-F1122 HydrophobicContact CD1-CZ 4.49Å; R1038-F1122 HydrophobicContact CB-CD1 4.07Å; R1038-F1122 HydrophobicContact CB-CE1 4.05Å; R1038-F1122 HydrophobicContact CB-CG 4.45Å; R1038-F1122 HydrophobicContact CB-CZ 4.39Å; R1038-F1122 HydrophobicContact CG-CB 4.13Å; R1038-F1122 HydrophobicContact CG-CD1 3.79Å; R1038-F1122 HydrophobicContact CG-CE1 4.29Å; R1038-F1122 HydrophobicContact CG-CG 3.96Å; W1041-F1122 HydrophobicContact CB-CD2 4.06Å; W1041-F1122 HydrophobicContact CB-CE2 3.94Å; W1041-F1122 AromaticContact CD1-CD2 3.89Å; W1041-F1122 HydrophobicContact CD2-CD2 4.41Å; W1041-F1122 AromaticContact CD2-CE2 3.78Å; W1041-F1122 HydrophobicContact CD2-CE2 3.78Å; W1041-F1122 HydrophobicContact CE3-CE2 4.23Å; W1041-F1122 AromaticContact CG-CD2 3.83Å; W1041-F1122 HydrophobicContact CG-CD2 3.83Å; W1041-F1122 AromaticContact CG-CE2 3.62Å; W1041-F1122 HydrophobicContact CG-CE2 3.62Å; Q1118-F1122 HydrophobicContact CG-CD2 3.98Å; Q1118-F1122 HydrophobicContact CG-CE2 3.69Å; Q1118-F1122 HydrophobicContact CG-CZ 4.25Å; Q1118-F1122 VanDerWaalsContact NE2-CE1 3.26Å; Q1118-F1122 WeakPolarHBondContact O-CD2 3.45Å; Q1118-F1122 PolarHBondContact O-N 3.18Å; L1119-F1122 PolarHBondContact O-N 3.49Å; F1122-R1124 VanDerWaalsContact C-N 3.25Å; F1122-R1124 PolarHBondContact O-N 3.5Å; F1122-E1125 VanDerWaalsContact CD1-OE2 3.29Å; F1122-E1125 WeakPolarHBondContact CD1-OE2 3.36Å
1123R85.4Confident81.3Confident185 Ų18553.9 Ų53.970%0.69827%0.273SS*.THydrogen-bonded Turntrans-73.9-7.7172.6-73.5176.3179.2174.21.3114.6L1119 V1121L1119-R1123 HydrophobicContact CD1-CG 4.41Å; L1119-R1123 WeakPolarHBondContact O-CB 3.33Å; L1119-R1123 WeakPolarHBondContact O-CG 3.46Å; L1119-R1123 PolarHBondContact O-N 3.21Å; V1121-R1123 PolarHBondContact O-N 3.43Å
1124R83.2Confident80.1Confident194 Ų19456.6 Ų56.673%0.73229%0.288SS*.THydrogen-bonded Turntrans-118.4-0.7178.6-67.4176.1175.5168.8-0.3113.2A1120 V1121 F1122A1120-R1124 WeakPolarHBondContact O-CD 3.43Å; A1120-R1124 WeakPolarHBondContact O-CG 3.5Å; V1121-R1124 CarbonylContact O-C 3.36Å; V1121-R1124 WeakPolarHBondContact O-CA 3.44Å; V1121-R1124 PolarHBondContact O-N 3.12Å; F1122-R1124 VanDerWaalsContact C-N 3.25Å; F1122-R1124 PolarHBondContact O-N 3.5Å
1125E78.3Confident78.7Confident18 Ų1861.4 Ų61.48%0.08431%0.314CS..  trans-92.9111.6-169.2-178.8171.617400112R1034 R1038 V1121 F1122 N1129R1034-E1125 IonicContact CZ-OE1 3.69Å; R1034-E1125 IonicContact CZ-OE2 2.67Å; R1034-E1125 IonicContact NE-OE1 3.15Å; R1034-E1125 PolarHBondContact NE-OE1 3.04Å; R1034-E1125 IonicContact NE-OE2 3.34Å; R1034-E1125 VanDerWaalsContact NH2-CD 3.27Å; R1034-E1125 IonicContact NH2-OE1 3.35Å; R1034-E1125 PolarHBondContact NH2-OE1 3.45Å; R1034-E1125 IonicContact NH2-OE2 3.96Å; R1034-E1125 PolarHBondContact NH2-OE2 2.72Å; R1038-E1125 PolarHBondContact NH1-O 3.27Å; V1121-E1125 WeakPolarHBondContact O-CB 3.34Å; V1121-E1125 PolarHBondContact O-N 3.41Å; V1121-E1125 VanDerWaalsContact O-N 3.12Å; F1122-E1125 VanDerWaalsContact CD1-OE2 3.29Å; F1122-E1125 WeakPolarHBondContact CD1-OE2 3.36Å; E1125-N1129 HydrophobicContact CG-CB 4.39Å; E1125-N1129 WeakPolarHBondContact OE1-CB 3.49Å; E1125-N1129 PolarHBondContact OE1-ND2 3.18Å
1126G71.6Confident77.4Confident46 Ų4662.6 Ų62.647%0.47433%0.326SS..  trans-85.4-142.7168.300000112.7D1128G1126-D1128 VanDerWaalsContact C-N 3.34Å
1127E70Confident76.4Confident172 Ų17266.5 Ų66.580%0.80435%0.346SS*.SBendtrans-79.8-13.2-177-59.4-179163.300113.8N1129 D1130E1127-N1129 PolarHBondContact O-N 3.18Å; E1127-D1130 PolarHBondContact O-N 3.3Å
1128D68.3Low75.6Confident110 Ų11066.5 Ų66.559%0.58834%0.342SS*.THydrogen-bonded Turntrans-46.2-13.6-176.3-97.127.4000118.3K997 G1126K997-D1128 PolarHBondContact NZ-O 3.35Å; G1126-D1128 VanDerWaalsContact C-N 3.34Å
1129N73.4Confident74.6Confident6 Ų671.3 Ų71.33%0.03237%0.372CS..THydrogen-bonded Turntrans-124.8-4.8-165.4-84.5-8.8000115.1Y996 K997 R1034 E1125 E1127 R1313Y996-N1129 PolarHBondContact O-ND2 3.24Å; K997-N1129 WeakPolarHBondContact CD-OD1 3.21Å; K997-N1129 WeakPolarHBondContact CE-OD1 3.34Å; K997-N1129 PolarHBondContact NZ-OD1 3.27Å; R1034-N1129 PolarHBondContact NH2-ND2 2.81Å; E1125-N1129 HydrophobicContact CG-CB 4.39Å; E1125-N1129 WeakPolarHBondContact OE1-CB 3.49Å; E1125-N1129 PolarHBondContact OE1-ND2 3.18Å; E1127-N1129 PolarHBondContact O-N 3.18Å; N1129-R1313 PolarHBondContact O-NH1 2.84Å
1130D67.6Low73.9Confident86 Ų8670.9 Ų70.946%0.4637%0.369SS..  trans-68.5170.4-179.3-79.2-28000112.9E1127E1127-D1130 PolarHBondContact O-N 3.3Å
1131S73.1Confident73.4Confident36 Ų3674.2 Ų74.225%0.25238%0.375SS..  trans-101.4167.3-167.680.30000113Y1133 N1134S1131-Y1133 PolarHBondContact O-N 3.01Å; S1131-Y1133 PolarHBondContact OG-N 2.7Å; S1131-N1134 PolarHBondContact N-OD1 2.97Å; S1131-N1134 VanDerWaalsContact O-CG 3.28Å; S1131-N1134 PolarHBondContact O-ND2 3.06Å; S1131-N1134 PolarHBondContact O-OD1 3.33Å; S1131-N1134 PolarHBondContact OG-OD1 3.08Å
1132I73.1Confident72.8Confident32 Ų3277.7 Ų77.716%0.16440%0.398CS..THydrogen-bonded Turntrans-68.9-19167.8-58.4173.2000111.6F1138 W1318I1132-F1138 HydrophobicContact CB-CE2 4.38Å; I1132-F1138 HydrophobicContact CG2-CD2 4.23Å; I1132-F1138 HydrophobicContact CG2-CE2 3.85Å; I1132-W1318 HydrophobicContact CD1-CB 4.16Å; I1132-W1318 HydrophobicContact CD1-CD2 3.48Å; I1132-W1318 VanDerWaalsContact CD1-CD2 3.48Å; I1132-W1318 HydrophobicContact CD1-CE3 3.76Å; I1132-W1318 HydrophobicContact CD1-CG 3.67Å; I1132-W1318 HydrophobicContact CD1-CZ2 4.45Å; I1132-W1318 HydrophobicContact CD1-CZ3 4.35Å; I1132-W1318 HydrophobicContact CG1-CD2 3.85Å; I1132-W1318 HydrophobicContact CG1-CE3 4.28Å; I1132-W1318 HydrophobicContact CG1-CG 4.25Å; I1132-W1318 HydrophobicContact CG1-CH2 4.35Å; I1132-W1318 HydrophobicContact CG1-CZ2 3.93Å
1133Y72.5Confident72.2Confident41 Ų4185.2 Ų85.216%0.16143%0.434CS..THydrogen-bonded Turntrans-10841.2-168.5-168.6-115.9000112.6S1131 G1136 F1138 L1219 H1316S1131-Y1133 PolarHBondContact O-N 3.01Å; S1131-Y1133 PolarHBondContact OG-N 2.7Å; Y1133-G1136 WeakPolarHBondContact CE2-O 3.4Å; Y1133-G1136 PolarHBondContact OH-O 3.02Å; Y1133-F1138 HydrophobicContact CD2-CB 3.81Å; Y1133-F1138 HydrophobicContact CD2-CD2 4.34Å; Y1133-F1138 HydrophobicContact CE2-CB 4.02Å; Y1133-L1219 HydrophobicContact CD1-CD2 4.26Å; Y1133-L1219 HydrophobicContact CE1-CD2 3.84Å; Y1133-H1316 AromaticContact CD1-CE1 3.78Å
1134N63.7Low72Confident77 Ų7777.6 Ų77.641%0.41241%0.407SS..THydrogen-bonded Turntrans-63.9-49.6-174.6-72.1-8.1000112.3K1033 S1131 G1136K1033-N1134 PolarHBondContact NZ-O 2.93Å; S1131-N1134 PolarHBondContact N-OD1 2.97Å; S1131-N1134 VanDerWaalsContact O-CG 3.28Å; S1131-N1134 PolarHBondContact O-ND2 3.06Å; S1131-N1134 PolarHBondContact O-OD1 3.33Å; S1131-N1134 PolarHBondContact OG-OD1 3.08Å; N1134-G1136 VanDerWaalsContact C-N 3.34Å; N1134-G1136 PolarHBondContact O-N 3.36Å
1135D63Low71.7Confident149 Ų14973 Ų7380%0.79740%0.401SS*.THydrogen-bonded Turntrans-88.810-172.4-52.2-38.6000114.3N1137D1135-N1137 PolarHBondContact O-N 3.02Å; D1135-N1137 VanDerWaalsContact O-N 3.15Å
1136G64.6Low71.7Confident25 Ų2574.8 Ų74.826%0.25841%0.41SS..SBendtrans73.5-4-177.600000115.5Y1133 N1134Y1133-G1136 WeakPolarHBondContact CE2-O 3.4Å; Y1133-G1136 PolarHBondContact OH-O 3.02Å; N1134-G1136 VanDerWaalsContact C-N 3.34Å; N1134-G1136 PolarHBondContact O-N 3.36Å
1137N67.4Low72.3Confident102 Ų10276 Ų7655%0.54540%0.401SS..  trans-104.3125169.3-71.5-58.7000110D1135D1135-N1137 PolarHBondContact O-N 3.02Å; D1135-N1137 VanDerWaalsContact O-N 3.15Å
1138F72Confident72.8Confident27 Ų2769.4 Ų69.412%0.11837%0.371CS..  trans-96.6110.2172.6-170.6-90000109.7I1132 Y1133 I1140 M1208 F1215 M1324I1132-F1138 HydrophobicContact CB-CE2 4.38Å; I1132-F1138 HydrophobicContact CG2-CD2 4.23Å; I1132-F1138 HydrophobicContact CG2-CE2 3.85Å; Y1133-F1138 HydrophobicContact CD2-CB 3.81Å; Y1133-F1138 HydrophobicContact CD2-CD2 4.34Å; Y1133-F1138 HydrophobicContact CE2-CB 4.02Å; F1138-I1140 HydrophobicContact CD1-CG1 4.46Å; F1138-I1140 HydrophobicContact CE1-CG1 4.01Å; F1138-M1208 HydrophobicContact CD1-CE 3.74Å; F1138-M1208 HydrophobicContact CE1-CE 4.49Å; F1138-F1215 HydrophobicContact CB-CD1 3.67Å; F1138-F1215 HydrophobicContact CB-CE1 4.09Å; F1138-F1215 HydrophobicContact CD1-CD1 4.09Å; F1138-F1215 HydrophobicContact CD1-CE1 4.37Å; F1138-F1215 HydrophobicContact CD1-CG 4.37Å; F1138-F1215 HydrophobicContact CD2-CD1 4.05Å; F1138-F1215 AromaticContact CD2-CE1 3.63Å; F1138-F1215 HydrophobicContact CD2-CE1 3.63Å; F1138-F1215 HydrophobicContact CD2-CZ 4.26Å; F1138-F1215 HydrophobicContact CE2-CE1 4.11Å; F1138-F1215 HydrophobicContact CE2-CZ 4.27Å; F1138-F1215 AromaticContact CG-CD1 3.67Å; F1138-F1215 HydrophobicContact CG-CD1 3.67Å; F1138-F1215 AromaticContact CG-CE1 3.77Å; F1138-F1215 HydrophobicContact CG-CE1 3.77Å; F1138-F1215 HydrophobicContact CG-CG 4.4Å; F1138-M1324 HydrophobicContact CE1-CE 4.24Å; F1138-M1324 HydrophobicContact CE1-SD 3.85Å; F1138-M1324 HydrophobicContact CZ-SD 4.19Å
1139V69.8Low73.7Confident101 Ų10164.1 Ų64.161%0.61234%0.343SS*.  trans-111.8121.2178.1-177.10000108.9K1141V1139-K1141 PolarHBondContact O-N 3.23Å; V1139-K1141 VanDerWaalsContact O-N 3.13Å
1140I74.3Confident74.2Confident8 Ų864.7 Ų64.74%0.04135%0.345CS..  trans-68.9107.6173.3-59.1177.8000107.5F1138 M1208 Q1321 M1324F1138-I1140 HydrophobicContact CD1-CG1 4.46Å; F1138-I1140 HydrophobicContact CE1-CG1 4.01Å; I1140-M1208 HydrophobicContact CD1-SD 3.72Å; I1140-M1208 HydrophobicContact CG1-SD 4.2Å; I1140-Q1321 HydrophobicContact CG2-CG 3.85Å; I1140-M1324 HydrophobicContact CD1-CE 4.43Å
1141K75.2Confident74.6Confident116 Ų11663.3 Ų63.350%0.50434%0.338SS..  trans-73.1131.6175.1-62.9-167.4178.5-171.50109.5V1139 E1143 W1318 Q1321V1139-K1141 PolarHBondContact O-N 3.23Å; V1139-K1141 VanDerWaalsContact O-N 3.13Å; K1141-E1143 PolarHBondContact O-N 2.99Å; K1141-W1318 HydrophobicContact CD-CH2 4.33Å; K1141-W1318 HydrophobicContact CD-CZ3 4.39Å; K1141-Q1321 PolarHBondContact O-NE2 2.78Å
1142P73.8Confident74.6Confident86 Ų8664.2 Ų64.256%0.55834%0.342SS*.SBendtrans-56.9-41.1176.7-25.834.7000112.1
1143E76.5Confident74.8Confident173 Ų17366.7 Ų66.781%0.80835%0.352SS*.SBendtrans-94.7114.3173.1-60.6-172.1155.200110.6K1141K1141-E1143 PolarHBondContact O-N 2.99Å
1144N79.7Confident74.9Confident25 Ų2572.5 Ų72.513%0.13438%0.378CS..  trans-97.4128.5170.3-174.6-18.9000108.4Q1146 W1318 H1322N1144-Q1146 PolarHBondContact O-N 2.99Å; N1144-Q1146 PolarHBondContact OD1-N 3.47Å; N1144-W1318 PolarHBondContact ND2-O 2.77Å; N1144-H1322 PolarHBondContact ND2-NE2 3.38Å
1145P78.3Confident75.4Confident96 Ų9670 Ų7062%0.62337%0.367SS*.SBendtrans-63.7-10177.726.5-36.1000114.2W1318P1145-W1318 HydrophobicContact CG-CD2 4.15Å; P1145-W1318 HydrophobicContact CG-CE3 4.1Å; P1145-W1318 HydrophobicContact CG-CZ3 4.35Å
1146Q78.6Confident76.1Confident56 Ų5670.9 Ų70.926%0.26236%0.36SS..SBendtrans-107135.8174-61.4-64.3-32.100110.9N1144 W1318 Y1319 H1322N1144-Q1146 PolarHBondContact O-N 2.99Å; N1144-Q1146 PolarHBondContact OD1-N 3.47Å; Q1146-W1318 HydrophobicContact CG-CB 4.22Å; Q1146-Y1319 HydrophobicContact CB-CD1 4.25Å; Q1146-Y1319 HydrophobicContact CB-CE1 3.75Å; Q1146-Y1319 HydrophobicContact CG-CD1 4.49Å; Q1146-Y1319 HydrophobicContact CG-CE1 3.74Å; Q1146-Y1319 PolarHBondContact OE1-OH 3.04Å; Q1146-Y1319 VanDerWaalsContact OE1-OH 3.08Å; Q1146-H1322 PolarHBondContact O-NE2 3.46Å
1147Y83Confident77Confident73 Ų7370.2 Ų70.229%0.28635%0.351SS..  trans-66.2154-179.964.7-87.1000113F1149 D1158 K1161 H1322Y1147-F1149 HydrophobicContact CE2-CB 4.11Å; Y1147-F1149 PolarHBondContact O-N 2.96Å; Y1147-F1149 VanDerWaalsContact O-N 3.07Å; Y1147-D1158 WeakPolarHBondContact CE2-OD1 3.39Å; Y1147-D1158 PolarHBondContact OH-OD1 3.27Å; Y1147-K1161 PolarHBondContact OH-NZ 3.49Å; Y1147-H1322 PolarHBondContact O-NE2 3.22Å
1148D81.2Confident77.8Confident32 Ų3265.3 Ų65.317%0.17133%0.325CS..  trans-72.2102.1175.2-171.2-7.4000110.8I1150 D1151 T1152 K1545D1148-I1150 VanDerWaalsContact C-N 3.33Å; D1148-I1150 WeakPolarHBondContact OD1-CA 3.43Å; D1148-I1150 WeakPolarHBondContact OD1-CB 3.24Å; D1148-I1150 PolarHBondContact OD1-N 3.38Å; D1148-D1151 PolarHBondContact OD1-N 3.45Å; D1148-T1152 PolarHBondContact O-N 2.98Å; D1148-T1152 PolarHBondContact O-OG1 3.16Å; D1148-K1545 IonicContact OD2-NZ 2.69Å; D1148-K1545 PolarHBondContact OD2-NZ 3.28Å
1149F87.1Confident78.2Confident0 Ų069.5 Ų69.50%034%0.341CS..THydrogen-bonded Turntrans-80.2-8.8177.163.2-87.4000113.4Y1147 K1153 D1158 K1161 F1165 Y1319 H1322Y1147-F1149 HydrophobicContact CE2-CB 4.11Å; Y1147-F1149 PolarHBondContact O-N 2.96Å; Y1147-F1149 VanDerWaalsContact O-N 3.07Å; F1149-K1153 WeakPolarHBondContact O-CG 3.39Å; F1149-D1158 HydrophobicContact CB-CB 4.14Å; F1149-K1161 HydrophobicContact CB-CD 4.13Å; F1149-K1161 HydrophobicContact CD1-CD 4.39Å; F1149-K1161 HydrophobicContact CD2-CB 3.63Å; F1149-K1161 HydrophobicContact CD2-CD 4.44Å; F1149-K1161 HydrophobicContact CE2-CB 3.94Å; F1149-K1161 HydrophobicContact CG-CB 4.1Å; F1149-K1161 HydrophobicContact CG-CD 4.05Å; F1149-F1165 HydrophobicContact CE2-CB 4.46Å; F1149-F1165 HydrophobicContact CZ-CB 4.1Å; F1149-F1165 HydrophobicContact CZ-CD2 4.33Å; F1149-Y1319 AromaticContact CD1-CD1 3.96Å; F1149-Y1319 HydrophobicContact CD1-CD1 3.96Å; F1149-Y1319 AromaticContact CE1-CD1 3.8Å; F1149-Y1319 HydrophobicContact CE1-CD1 3.8Å; F1149-Y1319 HydrophobicContact CE1-CG 4.24Å; F1149-Y1319 WeakPolarHBondContact CE1-O 3.26Å; F1149-Y1319 WeakPolarHBondContact CZ-O 3.07Å; F1149-H1322 HydrophobicContact CE1-CB 4.23Å
1150I83.9Confident78.9Confident17 Ų1771.1 Ų71.19%0.08734%0.34CS..THydrogen-bonded Turntrans-78.7-48176.6-53.8178.3000109.1D1148 K1153 H1322 C1323 E1326D1148-I1150 VanDerWaalsContact C-N 3.33Å; D1148-I1150 WeakPolarHBondContact OD1-CA 3.43Å; D1148-I1150 WeakPolarHBondContact OD1-CB 3.24Å; D1148-I1150 PolarHBondContact OD1-N 3.38Å; I1150-K1153 WeakPolarHBondContact O-CE 3.35Å; I1150-H1322 HydrophobicContact CD1-CB 4.08Å; I1150-C1323 HydrophobicContact CD1-CB 4.44Å; I1150-E1326 HydrophobicContact CD1-CB 4.24Å; I1150-E1326 HydrophobicContact CG2-CG 4.43Å
1151D76.9Confident79.6Confident57 Ų5771.1 Ų71.131%0.30534%0.339SS..THydrogen-bonded Turntrans-85-42.8179.2-72.112.3000112.2D1148 K1545D1148-D1151 PolarHBondContact OD1-N 3.45Å; D1151-K1545 IonicContact OD1-NZ 3.7Å; D1151-K1545 PolarHBondContact OD1-NZ 2.88Å; D1151-K1545 WeakPolarHBondContact OD2-CD 3.4Å; D1151-K1545 IonicContact OD2-NZ 2.68Å; D1151-K1545 PolarHBondContact OD2-NZ 3.18Å; D1151-K1545 VanDerWaalsContact OD2-NZ 3.09Å
1152T72.6Confident80.1Confident55 Ų5566.1 Ų66.134%0.33732%0.319SS..  trans-105.971-175.370.30000112.7D1148 K1154D1148-T1152 PolarHBondContact O-N 2.98Å; D1148-T1152 PolarHBondContact O-OG1 3.16Å; T1152-K1154 PolarHBondContact O-N 3Å
1153K76.8Confident80.7Confident85 Ų8567.4 Ų67.437%0.3732%0.316SS..  trans-74.290.1177.8-69.2171177.9160.80111.6F1149 I1150 D1158 Y1159F1149-K1153 WeakPolarHBondContact O-CG 3.39Å; I1150-K1153 WeakPolarHBondContact O-CE 3.35Å; K1153-D1158 HydrophobicContact CB-CB 4.45Å; K1153-D1158 HydrophobicContact CG-CB 4.37Å; K1153-Y1159 HydrophobicContact CB-CD2 4.43Å; K1153-Y1159 HydrophobicContact CB-CE2 3.86Å; K1153-Y1159 HydrophobicContact CD-CD1 4.39Å; K1153-Y1159 HydrophobicContact CD-CE1 4.01Å; K1153-Y1159 HydrophobicContact CD-CE2 4.37Å; K1153-Y1159 HydrophobicContact CG-CE2 4.48Å
1154K74Confident81.2Confident162 Ų16261.1 Ų61.170%0.70429%0.289SS*.  trans-93.8-29.5-176.2-65169.9-171.2172.50112.8T1152 D1158T1152-K1154 PolarHBondContact O-N 3Å; K1154-D1158 PolarHBondContact N-OD2 2.94Å
1155S75.2Confident81.7Confident26 Ų2661.3 Ų61.318%0.18229%0.289CS..SBendtrans-127.8154.5-172.5179.90000111.2V1157 D1158S1155-V1157 PolarHBondContact O-N 3.45Å; S1155-V1157 PolarHBondContact OG-N 2.99Å; S1155-D1158 PolarHBondContact N-OD2 2.04Å; S1155-D1158 WeakPolarHBondContact O-CB 3.4Å; S1155-D1158 PolarHBondContact O-N 2.86Å
1156Y77.1Confident82Confident167 Ų16757.1 Ų57.166%0.65526%0.261SS*.Hα-helixtrans-58.8-24.5166.5-75.5-79.6000112.2D1158 Y1159 F1160Y1156-D1158 VanDerWaalsContact C-N 3.27Å; Y1156-D1158 PolarHBondContact O-N 3.48Å; Y1156-Y1159 PolarHBondContact O-N 3.44Å; Y1156-F1160 PolarHBondContact O-N 3.28Å; Y1156-F1160 VanDerWaalsContact O-N 3.16Å
1157V83.8Confident82.4Confident10 Ų1058.8 Ų58.86%0.06127%0.265CS..Hα-helixtrans-63.1-32.7171.5-177.20000111.3S1155 F1160 K1161S1155-V1157 PolarHBondContact O-N 3.45Å; S1155-V1157 PolarHBondContact OG-N 2.99Å; V1157-F1160 PolarHBondContact O-N 3.44Å; V1157-K1161 WeakPolarHBondContact O-CG 3.19Å; V1157-K1161 PolarHBondContact O-N 3.28Å
1158D85.2Confident82.6Confident0 Ų055.7 Ų55.70%026%0.256CS..Hα-helixtrans-71.3-34.9178-58.6-41.3000112.3Y1147 F1149 K1153 K1154 S1155 Y1156 F1160 K1161 S1162Y1147-D1158 WeakPolarHBondContact CE2-OD1 3.39Å; Y1147-D1158 PolarHBondContact OH-OD1 3.27Å; F1149-D1158 HydrophobicContact CB-CB 4.14Å; K1153-D1158 HydrophobicContact CB-CB 4.45Å; K1153-D1158 HydrophobicContact CG-CB 4.37Å; K1154-D1158 PolarHBondContact N-OD2 2.94Å; S1155-D1158 PolarHBondContact N-OD2 2.04Å; S1155-D1158 WeakPolarHBondContact O-CB 3.4Å; S1155-D1158 PolarHBondContact O-N 2.86Å; Y1156-D1158 VanDerWaalsContact C-N 3.27Å; Y1156-D1158 PolarHBondContact O-N 3.48Å; D1158-F1160 VanDerWaalsContact C-N 3.35Å; D1158-K1161 PolarHBondContact O-N 3.06Å; D1158-K1161 IonicContact OD1-NZ 2.8Å; D1158-S1162 VanDerWaalsContact O-CB 3.29Å; D1158-S1162 WeakPolarHBondContact O-CB 3.38Å; D1158-S1162 PolarHBondContact O-N 3.2Å
1159Y80.5Confident82.9Confident115 Ų11554.3 Ų54.345%0.45125%0.249SC..Hα-helixtrans-64.9-40.4170.9-73.3-94.9000111.1K1153 Y1156 S1162 F1163K1153-Y1159 HydrophobicContact CB-CD2 4.43Å; K1153-Y1159 HydrophobicContact CB-CE2 3.86Å; K1153-Y1159 HydrophobicContact CD-CD1 4.39Å; K1153-Y1159 HydrophobicContact CD-CE1 4.01Å; K1153-Y1159 HydrophobicContact CD-CE2 4.37Å; K1153-Y1159 HydrophobicContact CG-CE2 4.48Å; Y1156-Y1159 PolarHBondContact O-N 3.44Å; Y1159-S1162 WeakPolarHBondContact O-CB 3.39Å; Y1159-S1162 PolarHBondContact O-N 3.49Å; Y1159-F1163 PolarHBondContact O-N 2.94Å
1160F84.2Confident82.9Confident135 Ų13556.6 Ų56.659%0.59226%0.257SS*.Hα-helixtrans-67.1-43.4175.3-172.5-103.7000112.4Y1156 V1157 D1158 S1162 F1163 V1164Y1156-F1160 PolarHBondContact O-N 3.28Å; Y1156-F1160 VanDerWaalsContact O-N 3.16Å; V1157-F1160 PolarHBondContact O-N 3.44Å; D1158-F1160 VanDerWaalsContact C-N 3.35Å; F1160-S1162 VanDerWaalsContact C-N 3.33Å; F1160-S1162 PolarHBondContact O-N 2.91Å; F1160-F1163 WeakPolarHBondContact O-CB 3.24Å; F1160-F1163 PolarHBondContact O-N 3.41Å; F1160-F1163 VanDerWaalsContact O-N 3.16Å; F1160-V1164 HydrophobicContact CD1-CG2 4.35Å; F1160-V1164 HydrophobicContact CE1-CG2 3.96Å; F1160-V1164 HydrophobicContact CE2-CG2 4.43Å; F1160-V1164 HydrophobicContact CZ-CG2 4.01Å; F1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; F1160-V1164 PolarHBondContact O-N 3.25Å
1161K88Confident83.1Confident8 Ų858.8 Ų58.84%0.03527%0.269CS..Hα-helixtrans-55.1-47.4169.1-75.2176174.9175.70111.3D980 Y1147 F1149 V1157 D1158 F1163 V1164 F1165 Y1319D980-K1161 WeakPolarHBondContact OD1-CE 3.38Å; D980-K1161 IonicContact OD1-NZ 3.22Å; D980-K1161 PolarHBondContact OD1-NZ 3.38Å; D980-K1161 IonicContact OD2-NZ 3.2Å; D980-K1161 PolarHBondContact OD2-NZ 2.98Å; Y1147-K1161 PolarHBondContact OH-NZ 3.49Å; F1149-K1161 HydrophobicContact CB-CD 4.13Å; F1149-K1161 HydrophobicContact CD1-CD 4.39Å; F1149-K1161 HydrophobicContact CD2-CB 3.63Å; F1149-K1161 HydrophobicContact CD2-CD 4.44Å; F1149-K1161 HydrophobicContact CE2-CB 3.94Å; F1149-K1161 HydrophobicContact CG-CB 4.1Å; F1149-K1161 HydrophobicContact CG-CD 4.05Å; V1157-K1161 WeakPolarHBondContact O-CG 3.19Å; V1157-K1161 PolarHBondContact O-N 3.28Å; D1158-K1161 PolarHBondContact O-N 3.06Å; D1158-K1161 IonicContact OD1-NZ 2.8Å; K1161-F1163 VanDerWaalsContact C-N 3.27Å; K1161-F1163 PolarHBondContact O-N 2.97Å; K1161-V1164 PolarHBondContact O-N 3.01Å; K1161-F1165 HydrophobicContact CB-CD2 4.04Å; K1161-F1165 HydrophobicContact CB-CE2 4.35Å; K1161-F1165 HydrophobicContact CG-CD2 4.39Å; K1161-F1165 HydrophobicContact CG-CE2 4.21Å; K1161-F1165 WeakPolarHBondContact O-CB 3.05Å; K1161-F1165 VanDerWaalsContact O-CD2 3.28Å; K1161-F1165 WeakPolarHBondContact O-CD2 3.48Å; K1161-F1165 PolarHBondContact O-N 2.96Å; K1161-Y1319 HydrophobicContact CD-CD1 4.43Å; K1161-Y1319 HydrophobicContact CD-CE1 4.35Å
1162S86Confident83.7Confident11 Ų1156.3 Ų56.38%0.07726%0.255CS..Hα-helixtrans-60.6-35.8177.8-172.70000112.2D1158 Y1159 F1160 H1166D1158-S1162 VanDerWaalsContact O-CB 3.29Å; D1158-S1162 WeakPolarHBondContact O-CB 3.38Å; D1158-S1162 PolarHBondContact O-N 3.2Å; Y1159-S1162 WeakPolarHBondContact O-CB 3.39Å; Y1159-S1162 PolarHBondContact O-N 3.49Å; F1160-S1162 VanDerWaalsContact C-N 3.33Å; F1160-S1162 PolarHBondContact O-N 2.91Å; S1162-H1166 VanDerWaalsContact O-CB 3.28Å; S1162-H1166 WeakPolarHBondContact O-CB 3.45Å; S1162-H1166 PolarHBondContact O-N 3.12Å
1163F85.9Confident84.5Confident112 Ų11254 Ų5449%0.49124%0.241SC..Iπ-helixtrans-67-54.1174.2-177.8-104000111.5Y1159 F1160 K1161 Y1167 G1168 I1171Y1159-F1163 PolarHBondContact O-N 2.94Å; F1160-F1163 WeakPolarHBondContact O-CB 3.24Å; F1160-F1163 PolarHBondContact O-N 3.41Å; F1160-F1163 VanDerWaalsContact O-N 3.16Å; K1161-F1163 VanDerWaalsContact C-N 3.27Å; K1161-F1163 PolarHBondContact O-N 2.97Å; F1163-Y1167 WeakPolarHBondContact O-CB 3.07Å; F1163-Y1167 PolarHBondContact O-N 3.16Å; F1163-G1168 PolarHBondContact O-N 3.34Å; F1163-I1171 HydrophobicContact CE1-CD1 4.14Å; F1163-I1171 HydrophobicContact CE2-CD1 4.39Å; F1163-I1171 HydrophobicContact CZ-CD1 3.73Å
1164V87.6Confident84.9Confident42 Ų4252.7 Ų52.726%0.25524%0.237SC..Iπ-helixtrans-64.2-52.6-176.4175.80000112.2F1160 K1161 G1168 I1314F1160-V1164 HydrophobicContact CD1-CG2 4.35Å; F1160-V1164 HydrophobicContact CE1-CG2 3.96Å; F1160-V1164 HydrophobicContact CE2-CG2 4.43Å; F1160-V1164 HydrophobicContact CZ-CG2 4.01Å; F1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; F1160-V1164 PolarHBondContact O-N 3.25Å; K1161-V1164 PolarHBondContact O-N 3.01Å; V1164-G1168 WeakPolarHBondContact O-CA 3.41Å; V1164-G1168 PolarHBondContact O-N 3.37Å; V1164-I1314 HydrophobicContact CG1-CD1 3.78Å; V1164-I1314 HydrophobicContact CG1-CG1 4.42Å
1165F89.3Confident85.6Confident28 Ų2845.8 Ų45.812%0.12321%0.209CC..Iπ-helixtrans-82.4-31.8-169.6-65.5-67.4000114.3F1149 K1161 I1314 Y1319F1149-F1165 HydrophobicContact CE2-CB 4.46Å; F1149-F1165 HydrophobicContact CZ-CB 4.1Å; F1149-F1165 HydrophobicContact CZ-CD2 4.33Å; K1161-F1165 HydrophobicContact CB-CD2 4.04Å; K1161-F1165 HydrophobicContact CB-CE2 4.35Å; K1161-F1165 HydrophobicContact CG-CD2 4.39Å; K1161-F1165 HydrophobicContact CG-CE2 4.21Å; K1161-F1165 WeakPolarHBondContact O-CB 3.05Å; K1161-F1165 VanDerWaalsContact O-CD2 3.28Å; K1161-F1165 WeakPolarHBondContact O-CD2 3.48Å; K1161-F1165 PolarHBondContact O-N 2.96Å; F1165-I1314 HydrophobicContact CD1-CG1 4.23Å; F1165-I1314 HydrophobicContact CD1-CG2 4Å; F1165-I1314 HydrophobicContact CE1-CG1 4.08Å; F1165-Y1319 HydrophobicContact CD2-CD2 4.39Å; F1165-Y1319 HydrophobicContact CD2-CG 4.07Å; F1165-Y1319 HydrophobicContact CE1-CD2 4.18Å; F1165-Y1319 AromaticContact CE2-CD2 3.61Å; F1165-Y1319 HydrophobicContact CE2-CD2 3.61Å; F1165-Y1319 AromaticContact CE2-CG 3.73Å; F1165-Y1319 HydrophobicContact CE2-CG 3.73Å; F1165-Y1319 AromaticContact CZ-CD2 3.5Å; F1165-Y1319 HydrophobicContact CZ-CD2 3.5Å; F1165-Y1319 HydrophobicContact CZ-CE2 4.43Å; F1165-Y1319 AromaticContact CZ-CG 3.99Å; F1165-Y1319 HydrophobicContact CZ-CG 3.99Å
1166H86Confident86.3Confident8 Ų844.6 Ų44.64%0.03720%0.201CC..Iπ-helixtrans-95.5-33.6-177.3-174.279.4000113.3S1162 H1169 Y1327S1162-H1166 VanDerWaalsContact O-CB 3.28Å; S1162-H1166 WeakPolarHBondContact O-CB 3.45Å; S1162-H1166 PolarHBondContact O-N 3.12Å; H1166-H1169 PolarHBondContact O-CE1 2.68Å; H1166-H1169 PolarHBondContact O-ND1 2.74Å; H1166-Y1327 AromaticContact CE1-CE1 3.34Å; H1166-Y1327 WeakPolarHBondContact CE1-CE1 3.28Å; H1166-Y1327 AromaticContact CE1-CZ 3.78Å; H1166-Y1327 AromaticContact ND1-CE1 3.73Å; H1166-Y1327 AromaticContact ND1-CZ 3.65Å; H1166-Y1327 PolarHBondContact ND1-OH 3.18Å; H1166-Y1327 PolarHBondContact O-OH 3.28Å
1167Y86.8Confident86.8Confident91 Ų9137 Ų3736%0.35717%0.172SC..Iπ-helixtrans-105.7-16.9-178.7-61.4-56.4000114.7F1163 H1169 W1170F1163-Y1167 WeakPolarHBondContact O-CB 3.07Å; F1163-Y1167 PolarHBondContact O-N 3.16Å; Y1167-H1169 PolarHBondContact O-N 2.62Å; Y1167-H1169 VanDerWaalsContact O-N 3.12Å; Y1167-W1170 PolarHBondContact O-N 2.93Å
1168G87Confident86.9Confident9 Ų938.5 Ų38.59%0.09319%0.185CC..Hα-helixtrans-53.7-34.8-176.300000115.1F1163 V1164 W1170 I1171 T1172F1163-G1168 PolarHBondContact O-N 3.34Å; V1164-G1168 WeakPolarHBondContact O-CA 3.41Å; V1164-G1168 PolarHBondContact O-N 3.37Å; G1168-W1170 VanDerWaalsContact C-N 3.32Å; G1168-W1170 PolarHBondContact O-N 3.4Å; G1168-I1171 WeakPolarHBondContact O-CB 3.43Å; G1168-I1171 PolarHBondContact O-N 2.97Å; G1168-I1171 VanDerWaalsContact O-N 3.09Å; G1168-T1172 PolarHBondContact O-N 2.93Å
1169H86.9Confident86.8Confident3 Ų339 Ų391%0.01419%0.189CC..Hα-helixtrans-63-35.9179.374.1-96.2000113H1166 Y1167 T1172 L1173 Y1206 Y1327H1166-H1169 PolarHBondContact O-CE1 2.68Å; H1166-H1169 PolarHBondContact O-ND1 2.74Å; Y1167-H1169 PolarHBondContact O-N 2.62Å; Y1167-H1169 VanDerWaalsContact O-N 3.12Å; H1169-T1172 PolarHBondContact O-N 3.22Å; H1169-T1172 PolarHBondContact O-OG1 3.47Å; H1169-L1173 PolarHBondContact O-N 3.44Å; H1169-Y1206 WeakPolarHBondContact CB-OH 3.47Å; H1169-Y1206 AromaticContact CD2-CE2 3.61Å; H1169-Y1206 AromaticContact CD2-CZ 3.92Å; H1169-Y1206 PolarHBondContact CD2-OH 3.48Å; H1169-Y1206 AromaticContact CE1-CE2 3.87Å; H1169-Y1206 AromaticContact CG-CE2 3.92Å; H1169-Y1206 AromaticContact CG-CZ 3.98Å; H1169-Y1206 AromaticContact NE2-CE2 3.55Å; H1169-Y1327 PolarHBondContact CE1-OH 3.37Å
1170W87.6Confident87Confident47 Ų4733.5 Ų33.518%0.17817%0.167CC..Hα-helixtrans-63.2-46.6173-66.9101.2000110.1Y1167 G1168 T1172 L1173 M1174 L1199 N1203Y1167-W1170 PolarHBondContact O-N 2.93Å; G1168-W1170 VanDerWaalsContact C-N 3.32Å; G1168-W1170 PolarHBondContact O-N 3.4Å; W1170-T1172 PolarHBondContact O-N 3.43Å; W1170-L1173 CarbonylContact O-C 3.53Å; W1170-L1173 WeakPolarHBondContact O-CA 3.44Å; W1170-L1173 WeakPolarHBondContact O-CB 3.06Å; W1170-L1173 PolarHBondContact O-N 2.82Å; W1170-M1174 VanDerWaalsContact O-CE 3.31Å; W1170-M1174 WeakPolarHBondContact O-CE 3.3Å; W1170-M1174 WeakPolarHBondContact O-CG 3.39Å; W1170-M1174 PolarHBondContact O-N 2.61Å; W1170-L1199 HydrophobicContact CE3-CD1 3.97Å; W1170-L1199 HydrophobicContact CZ3-CD1 3.64Å; W1170-N1203 WeakPolarHBondContact CZ2-OD1 3.49Å
1171I87.6Confident87Confident63 Ų6329.4 Ų29.432%0.32315%0.151SC..Hα-helixtrans-55.6-40.9178.4-58.7173.8000111F1163 G1168 L1173 M1174 S1175 F1307F1163-I1171 HydrophobicContact CE1-CD1 4.14Å; F1163-I1171 HydrophobicContact CE2-CD1 4.39Å; F1163-I1171 HydrophobicContact CZ-CD1 3.73Å; G1168-I1171 WeakPolarHBondContact O-CB 3.43Å; G1168-I1171 PolarHBondContact O-N 2.97Å; G1168-I1171 VanDerWaalsContact O-N 3.09Å; I1171-L1173 PolarHBondContact O-N 3.18Å; I1171-M1174 WeakPolarHBondContact O-CB 3.4Å; I1171-M1174 PolarHBondContact O-N 3.35Å; I1171-M1174 VanDerWaalsContact O-N 3.15Å; I1171-S1175 PolarHBondContact O-N 3.11Å; I1171-F1307 HydrophobicContact CG2-CE1 4.12Å
1172T89.9Confident86.6Confident5 Ų531.1 Ų31.13%0.03117%0.166CC..Hα-helixtrans-69.8-29.8177.163.70000114.1G1168 H1169 W1170 T1176 W1222 F1307 Q1311G1168-T1172 PolarHBondContact O-N 2.93Å; H1169-T1172 PolarHBondContact O-N 3.22Å; H1169-T1172 PolarHBondContact O-OG1 3.47Å; W1170-T1172 PolarHBondContact O-N 3.43Å; T1172-T1176 PolarHBondContact O-N 3.46Å; T1172-T1176 VanDerWaalsContact O-N 3.11Å; T1172-T1176 PolarHBondContact O-OG1 3.04Å; T1172-W1222 VanDerWaalsContact OG1-CH2 3.26Å; T1172-W1222 WeakPolarHBondContact OG1-CH2 3.48Å; T1172-F1307 HydrophobicContact CG2-CB 3.88Å; T1172-F1307 HydrophobicContact CG2-CD1 4.14Å; T1172-F1307 HydrophobicContact CG2-CG 4.42Å; T1172-Q1311 HydrophobicContact CG2-CB 3.69Å; T1172-Q1311 HydrophobicContact CG2-CG 3.98Å
1173L88.7Confident86Confident7 Ų731 Ų314%0.03717%0.168CC..Hα-helixtrans-70.9-33.3168.5-66.4177.2000111.8H1169 W1170 I1171 T1176 L1177 M1198 L1199 W1222H1169-L1173 PolarHBondContact O-N 3.44Å; W1170-L1173 CarbonylContact O-C 3.53Å; W1170-L1173 WeakPolarHBondContact O-CA 3.44Å; W1170-L1173 WeakPolarHBondContact O-CB 3.06Å; W1170-L1173 PolarHBondContact O-N 2.82Å; I1171-L1173 PolarHBondContact O-N 3.18Å; L1173-T1176 WeakPolarHBondContact CA-OG1 3.01Å; L1173-T1176 PolarHBondContact O-OG1 3.15Å; L1173-L1177 WeakPolarHBondContact O-CB 3.33Å; L1173-L1177 PolarHBondContact O-N 2.99Å; L1173-M1198 HydrophobicContact CD1-CB 4.37Å; L1173-M1198 HydrophobicContact CD2-CB 3.85Å; L1173-L1199 HydrophobicContact CD1-CD1 4.38Å; L1173-W1222 HydrophobicContact CD2-CH2 3.76Å; L1173-W1222 HydrophobicContact CD2-CZ2 4.32Å; L1173-W1222 HydrophobicContact CD2-CZ3 4.42Å; L1173-W1222 HydrophobicContact CG-CH2 3.99Å
1174M85.5Confident85.6Confident58 Ų5826.9 Ų26.929%0.28615%0.152SC..Hα-helixtrans-64.8-45.1172.7-47.4-59.487.200110.3W1170 I1171 T1176 L1177 A1178 L1199 F1716W1170-M1174 VanDerWaalsContact O-CE 3.31Å; W1170-M1174 WeakPolarHBondContact O-CE 3.3Å; W1170-M1174 WeakPolarHBondContact O-CG 3.39Å; W1170-M1174 PolarHBondContact O-N 2.61Å; I1171-M1174 WeakPolarHBondContact O-CB 3.4Å; I1171-M1174 PolarHBondContact O-N 3.35Å; I1171-M1174 VanDerWaalsContact O-N 3.15Å; M1174-T1176 VanDerWaalsContact C-N 3.34Å; M1174-T1176 PolarHBondContact O-N 3.2Å; M1174-L1177 PolarHBondContact O-N 2.89Å; M1174-A1178 WeakPolarHBondContact O-CB 3.47Å; M1174-A1178 PolarHBondContact O-N 3Å; M1174-L1199 HydrophobicContact CE-CD1 4.27Å; M1174-F1716 HydrophobicContact CE-CD1 3.83Å; M1174-F1716 HydrophobicContact CE-CE1 3.25Å; M1174-F1716 HydrophobicContact CE-CE2 4.26Å; M1174-F1716 HydrophobicContact CE-CZ 3.48Å; M1174-F1716 VanDerWaalsContact CE-CZ 3.48Å; M1174-F1716 HydrophobicContact SD-CD1 3.86Å; M1174-F1716 HydrophobicContact SD-CD2 3.85Å; M1174-F1716 HydrophobicContact SD-CE1 3.59Å; M1174-F1716 VanDerWaalsContact SD-CE1 3.59Å; M1174-F1716 HydrophobicContact SD-CE2 3.53Å; M1174-F1716 VanDerWaalsContact SD-CE2 3.53Å; M1174-F1716 HydrophobicContact SD-CG 4Å; M1174-F1716 HydrophobicContact SD-CZ 3.38Å; M1174-F1716 WeakPolarHBondContact SD-CZ 3.12Å
1175S88.5Confident85.4Confident17 Ų1725.1 Ų25.112%0.11914%0.141CC..Hα-helixtrans-65.2-35-179.3-173.40000113.1I1171 A1179 F1307I1171-S1175 PolarHBondContact O-N 3.11Å; S1175-A1179 PolarHBondContact O-N 2.81Å; S1175-F1307 VanDerWaalsContact OG-CD2 3.3Å; S1175-F1307 WeakPolarHBondContact OG-CD2 3.25Å
1176T89.3Confident85.3Confident0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-79.8-31.3177.340.60000112.1T1172 L1173 M1174 G1180 T1195 L1225 A1304 L1308T1172-T1176 PolarHBondContact O-N 3.46Å; T1172-T1176 VanDerWaalsContact O-N 3.11Å; T1172-T1176 PolarHBondContact O-OG1 3.04Å; L1173-T1176 WeakPolarHBondContact CA-OG1 3.01Å; L1173-T1176 PolarHBondContact O-OG1 3.15Å; M1174-T1176 VanDerWaalsContact C-N 3.34Å; M1174-T1176 PolarHBondContact O-N 3.2Å; T1176-G1180 PolarHBondContact O-N 3.11Å; T1176-T1195 VanDerWaalsContact OG1-CG2 3.23Å; T1176-T1195 WeakPolarHBondContact OG1-CG2 3.37Å; T1176-L1225 HydrophobicContact CG2-CD2 4.25Å; T1176-A1304 HydrophobicContact CG2-CB 4.01Å; T1176-L1308 HydrophobicContact CG2-CD1 4.08Å; T1176-L1308 HydrophobicContact CG2-CD2 4.43Å; T1176-L1308 HydrophobicContact CG2-CG 4.32Å
1177L88.9Confident85.4Confident9 Ų927.4 Ų27.45%0.04715%0.153CC..Hα-helixtrans-68.2-40.6169.9-172.973.5000110.3L1173 M1174 A1179 G1180 I1181 I1192 T1195 I1712 F1716L1173-L1177 WeakPolarHBondContact O-CB 3.33Å; L1173-L1177 PolarHBondContact O-N 2.99Å; M1174-L1177 PolarHBondContact O-N 2.89Å; L1177-A1179 VanDerWaalsContact C-N 3.32Å; L1177-A1179 PolarHBondContact O-N 3.06Å; L1177-G1180 CarbonylContact O-C 3.58Å; L1177-G1180 VanDerWaalsContact O-CA 3.31Å; L1177-G1180 WeakPolarHBondContact O-CA 3.41Å; L1177-G1180 PolarHBondContact O-N 2.73Å; L1177-I1181 HydrophobicContact CD2-CD1 3.97Å; L1177-I1181 HydrophobicContact CG-CD1 3.68Å; L1177-I1181 HydrophobicContact CG-CG1 4.25Å; L1177-I1181 WeakPolarHBondContact O-CD1 3.26Å; L1177-I1181 VanDerWaalsContact O-CG1 3.3Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.25Å; L1177-I1181 PolarHBondContact O-N 2.66Å; L1177-I1192 HydrophobicContact CD1-CB 4.44Å; L1177-I1192 HydrophobicContact CD1-CG1 4.15Å; L1177-I1192 HydrophobicContact CD1-CG2 4.42Å; L1177-T1195 HydrophobicContact CB-CG2 4.42Å; L1177-T1195 WeakPolarHBondContact CD1-OG1 3.32Å; L1177-I1712 HydrophobicContact CD2-CG2 4.06Å; L1177-F1716 HydrophobicContact CD2-CE1 4.21Å; L1177-F1716 HydrophobicContact CD2-CE2 4.04Å; L1177-F1716 HydrophobicContact CD2-CZ 3.41Å; L1177-F1716 VanDerWaalsContact CD2-CZ 3.41Å
1178A84.8Confident85.4Confident40 Ų4023.2 Ų23.233%0.33114%0.138SC..Hα-helixtrans-57.1-42176.700000112.6M1174 G1180 I1181 A1182M1174-A1178 WeakPolarHBondContact O-CB 3.47Å; M1174-A1178 PolarHBondContact O-N 3Å; A1178-G1180 PolarHBondContact O-N 2.72Å; A1178-I1181 PolarHBondContact O-N 3.31Å; A1178-I1181 VanDerWaalsContact O-N 3.1Å; A1178-A1182 WeakPolarHBondContact O-CB 3.36Å; A1178-A1182 PolarHBondContact O-N 2.88Å
1179A84.7Confident85.5Confident11 Ų1124.9 Ų24.99%0.09115%0.145CC..Hα-helixtrans-61.9-30.3172.400000113.2S1175 L1177 Y1191 F1300 A1304S1175-A1179 PolarHBondContact O-N 2.81Å; L1177-A1179 VanDerWaalsContact C-N 3.32Å; L1177-A1179 PolarHBondContact O-N 3.06Å; A1179-Y1191 HydrophobicContact CB-CD1 4.47Å; A1179-Y1191 HydrophobicContact CB-CD2 4.39Å; A1179-Y1191 HydrophobicContact CB-CE1 4.33Å; A1179-Y1191 HydrophobicContact CB-CE2 4.27Å; A1179-Y1191 HydrophobicContact CB-CG 4.49Å; A1179-F1300 HydrophobicContact CB-CB 4.14Å; A1179-A1304 HydrophobicContact CB-CB 4.37Å
1180G84Confident85.5Confident0 Ų025.4 Ų25.40%015%0.15CC..Hα-helixtrans-81.2-12.2172.500000115.7T1176 L1177 A1178 A1188 I1192T1176-G1180 PolarHBondContact O-N 3.11Å; L1177-G1180 CarbonylContact O-C 3.58Å; L1177-G1180 VanDerWaalsContact O-CA 3.31Å; L1177-G1180 WeakPolarHBondContact O-CA 3.41Å; L1177-G1180 PolarHBondContact O-N 2.73Å; A1178-G1180 PolarHBondContact O-N 2.72Å; G1180-A1188 WeakPolarHBondContact CA-O 3.39Å; G1180-I1192 WeakPolarHBondContact O-CD1 3.41Å
1181I84.3Confident85.7Confident49 Ų4923.3 Ų23.325%0.25114%0.142SC..Hα-helixtrans-97.9-26.9177.4-61.5151.9000111.3L1177 A1178 G1183 I1712L1177-I1181 HydrophobicContact CD2-CD1 3.97Å; L1177-I1181 HydrophobicContact CG-CD1 3.68Å; L1177-I1181 HydrophobicContact CG-CG1 4.25Å; L1177-I1181 WeakPolarHBondContact O-CD1 3.26Å; L1177-I1181 VanDerWaalsContact O-CG1 3.3Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.25Å; L1177-I1181 PolarHBondContact O-N 2.66Å; A1178-I1181 PolarHBondContact O-N 3.31Å; A1178-I1181 VanDerWaalsContact O-N 3.1Å; I1181-G1183 PolarHBondContact O-N 3.04Å; I1181-I1712 HydrophobicContact CD1-CD1 3.33Å; I1181-I1712 HydrophobicContact CD1-CG1 4.15Å; I1181-I1712 HydrophobicContact CD1-CG2 4.4Å; I1181-I1712 HydrophobicContact CG1-CD1 3.78Å; I1181-I1712 HydrophobicContact CG2-CD1 4.01Å
1182A79Confident85.7Confident43 Ų4320.6 Ų20.636%0.35513%0.129SC..SBendtrans-70.71.8-17400000115.4A1178 F1300A1178-A1182 WeakPolarHBondContact O-CB 3.36Å; A1178-A1182 PolarHBondContact O-N 2.88Å; A1182-F1300 HydrophobicContact CB-CD1 4.45Å; A1182-F1300 HydrophobicContact CB-CD2 3.54Å; A1182-F1300 HydrophobicContact CB-CE2 3.62Å; A1182-F1300 HydrophobicContact CB-CG 3.98Å; A1182-F1300 HydrophobicContact CB-CZ 4.13Å
1183G74.3Confident85.7Confident10 Ų1024.9 Ų24.910%0.10315%0.15CC..  trans-167.2165.517600000111.4I1181 A1188 F1670I1181-G1183 PolarHBondContact O-N 3.04Å; G1183-A1188 WeakPolarHBondContact O-CB 3.32Å; G1183-F1670 WeakPolarHBondContact O-CE2 3.47Å
1184T77.5Confident85.7Confident25 Ų2528.5 Ų28.515%0.15317%0.166CC..  trans-100.7-5.3-175.165.90000114.4E1295 F1670 Q1673 F1674T1184-E1295 WeakPolarHBondContact CB-OE1 3.17Å; T1184-E1295 PolarHBondContact N-OE1 3.45Å; T1184-E1295 PolarHBondContact N-OE2 2.94Å; T1184-E1295 PolarHBondContact OG1-OE1 3.29Å; T1184-F1670 WeakPolarHBondContact O-CZ 3.5Å; T1184-Q1673 HydrophobicContact CG2-CB 3.63Å; T1184-Q1673 HydrophobicContact CG2-CG 4.38Å; T1184-F1674 WeakPolarHBondContact O-CE1 3.44Å; T1184-F1674 WeakPolarHBondContact O-CZ 3.3Å
1185S83.8Confident85.8Confident4 Ų426 Ų263%0.02815%0.154CC..SBendtrans-55.8160.2178.468.20000115.5F1187 A1188 L1189 E1295S1185-F1187 PolarHBondContact O-N 3.41Å; S1185-A1188 WeakPolarHBondContact O-CA 3.38Å; S1185-A1188 WeakPolarHBondContact O-CB 3.44Å; S1185-A1188 PolarHBondContact O-N 3.38Å; S1185-A1188 PolarHBondContact OG-N 3.09Å; S1185-L1189 PolarHBondContact O-N 3.49Å; S1185-L1189 VanDerWaalsContact O-N 3.16Å; S1185-E1295 WeakPolarHBondContact CB-OE2 3.4Å; S1185-E1295 PolarHBondContact N-OE2 3.21Å
1186L86Confident85.8Confident67 Ų6726.4 Ų26.435%0.35115%0.154SC..Hα-helixtrans-56.2-32.4173.1-171.767.5000113A1188 L1189 G1190 L1266 F1267L1186-A1188 VanDerWaalsContact C-N 3.31Å; L1186-A1188 PolarHBondContact O-N 3.26Å; L1186-L1189 HydrophobicContact CD1-CD2 4.12Å; L1186-L1189 WeakPolarHBondContact O-CB 3.35Å; L1186-L1189 PolarHBondContact O-N 3.43Å; L1186-G1190 PolarHBondContact O-N 3.44Å; L1186-L1266 HydrophobicContact CB-CG 4.21Å; L1186-L1266 HydrophobicContact CD2-CD2 4.21Å; L1186-L1266 PolarHBondContact N-O 3.03Å; L1186-F1267 HydrophobicContact CD2-CE1 3.85Å; L1186-F1267 HydrophobicContact CD2-CZ 4.05Å
1187F88.6Confident85.7Confident17 Ų1730 Ų308%0.07518%0.177CC..Hα-helixtrans-64.6-37.3175.7-59.2-61.5000111.8S1185 G1190 Y1191 Y1228 T1232 M1235 L1239 F1267S1185-F1187 PolarHBondContact O-N 3.41Å; F1187-G1190 PolarHBondContact O-N 3.22Å; F1187-Y1191 VanDerWaalsContact O-CD2 3.29Å; F1187-Y1191 WeakPolarHBondContact O-CD2 3.3Å; F1187-Y1191 PolarHBondContact O-N 2.84Å; F1187-Y1228 WeakPolarHBondContact CA-OH 3.44Å; F1187-Y1228 PolarHBondContact O-OH 3.28Å; F1187-T1232 HydrophobicContact CB-CG2 4.05Å; F1187-T1232 HydrophobicContact CD1-CG2 3.94Å; F1187-T1232 HydrophobicContact CG-CG2 4.28Å; F1187-M1235 HydrophobicContact CE1-CB 4.33Å; F1187-M1235 HydrophobicContact CZ-CB 4.17Å; F1187-L1239 HydrophobicContact CE2-CD1 4Å; F1187-L1239 HydrophobicContact CZ-CD1 3.96Å; F1187-F1267 HydrophobicContact CE2-CD1 4.01Å; F1187-F1267 AromaticContact CZ-CD1 3.87Å; F1187-F1267 HydrophobicContact CZ-CD1 3.87Å; F1187-F1267 HydrophobicContact CZ-CE1 4.4Å
1188A86.8Confident85.6Confident4 Ų430.2 Ų30.23%0.03318%0.177CC..Hα-helixtrans-69.6-39.6176.400000112.1G1180 G1183 S1185 L1186 G1190 Y1191 I1192 F1670G1180-A1188 WeakPolarHBondContact CA-O 3.39Å; G1183-A1188 WeakPolarHBondContact O-CB 3.32Å; S1185-A1188 WeakPolarHBondContact O-CA 3.38Å; S1185-A1188 WeakPolarHBondContact O-CB 3.44Å; S1185-A1188 PolarHBondContact O-N 3.38Å; S1185-A1188 PolarHBondContact OG-N 3.09Å; L1186-A1188 VanDerWaalsContact C-N 3.31Å; L1186-A1188 PolarHBondContact O-N 3.26Å; A1188-G1190 VanDerWaalsContact C-N 3.3Å; A1188-G1190 PolarHBondContact O-N 3.2Å; A1188-Y1191 WeakPolarHBondContact O-CB 3.46Å; A1188-Y1191 PolarHBondContact O-N 2.63Å; A1188-Y1191 VanDerWaalsContact O-N 3.17Å; A1188-I1192 PolarHBondContact O-N 2.86Å; A1188-I1192 VanDerWaalsContact O-N 3.15Å; A1188-F1670 HydrophobicContact CB-CE2 4.22Å; A1188-F1670 HydrophobicContact CB-CZ 4.15Å
1189L88Confident85.6Confident44 Ų4428.5 Ų28.523%0.2316%0.163CC..Hα-helixtrans-55.9-43.6172.8-174.376.2000112S1185 L1186 Y1191 I1192 I1193 F1670S1185-L1189 PolarHBondContact O-N 3.49Å; S1185-L1189 VanDerWaalsContact O-N 3.16Å; L1186-L1189 HydrophobicContact CD1-CD2 4.12Å; L1186-L1189 WeakPolarHBondContact O-CB 3.35Å; L1186-L1189 PolarHBondContact O-N 3.43Å; L1189-Y1191 VanDerWaalsContact C-N 3.34Å; L1189-Y1191 PolarHBondContact O-N 3.4Å; L1189-I1192 PolarHBondContact O-N 3.41Å; L1189-I1193 HydrophobicContact CD2-CD1 4.28Å; L1189-I1193 HydrophobicContact CG-CD1 3.96Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.39Å; L1189-I1193 PolarHBondContact O-N 3.01Å; L1189-F1670 HydrophobicContact CB-CE1 3.92Å; L1189-F1670 HydrophobicContact CB-CZ 4.1Å; L1189-F1670 HydrophobicContact CD1-CD1 3.89Å; L1189-F1670 HydrophobicContact CD1-CE1 3.75Å; L1189-F1670 HydrophobicContact CG-CE1 4.43Å
1190G88.6Confident85.7Confident13 Ų1333.5 Ų33.513%0.13418%0.18CC..Hα-helixtrans-62-38.7178.300000113.3L1186 F1187 A1188 I1193 F1194 Y1228L1186-G1190 PolarHBondContact O-N 3.44Å; F1187-G1190 PolarHBondContact O-N 3.22Å; A1188-G1190 VanDerWaalsContact C-N 3.3Å; A1188-G1190 PolarHBondContact O-N 3.2Å; G1190-I1193 PolarHBondContact O-N 3.32Å; G1190-F1194 VanDerWaalsContact O-CD2 3.24Å; G1190-F1194 WeakPolarHBondContact O-CD2 3.41Å; G1190-F1194 PolarHBondContact O-N 3.39Å; G1190-Y1228 WeakPolarHBondContact CA-OH 3.25Å
1191Y90.5Very high85.6Confident3 Ų334.9 Ų34.91%0.01219%0.189CC..Hα-helixtrans-60.1-45.3172-81.3-70.5000112.1A1179 F1187 A1188 L1189 T1195 Y1228 T1229 T1232 D1301A1179-Y1191 HydrophobicContact CB-CD1 4.47Å; A1179-Y1191 HydrophobicContact CB-CD2 4.39Å; A1179-Y1191 HydrophobicContact CB-CE1 4.33Å; A1179-Y1191 HydrophobicContact CB-CE2 4.27Å; A1179-Y1191 HydrophobicContact CB-CG 4.49Å; F1187-Y1191 VanDerWaalsContact O-CD2 3.29Å; F1187-Y1191 WeakPolarHBondContact O-CD2 3.3Å; F1187-Y1191 PolarHBondContact O-N 2.84Å; A1188-Y1191 WeakPolarHBondContact O-CB 3.46Å; A1188-Y1191 PolarHBondContact O-N 2.63Å; A1188-Y1191 VanDerWaalsContact O-N 3.17Å; L1189-Y1191 VanDerWaalsContact C-N 3.34Å; L1189-Y1191 PolarHBondContact O-N 3.4Å; Y1191-T1195 WeakPolarHBondContact O-CB 3.3Å; Y1191-T1195 WeakPolarHBondContact O-CG2 3.4Å; Y1191-T1195 PolarHBondContact O-N 3.43Å; Y1191-T1195 PolarHBondContact O-OG1 3.43Å; Y1191-Y1228 HydrophobicContact CD1-CD1 4.34Å; Y1191-Y1228 HydrophobicContact CD1-CE1 4.24Å; Y1191-Y1228 AromaticContact CD2-CE1 3.94Å; Y1191-Y1228 HydrophobicContact CD2-CE1 3.94Å; Y1191-Y1228 HydrophobicContact CE1-CD1 4.23Å; Y1191-Y1228 HydrophobicContact CE1-CE1 4.37Å; Y1191-Y1228 HydrophobicContact CE2-CE1 4.06Å; Y1191-Y1228 HydrophobicContact CG-CE1 4.04Å; Y1191-T1229 HydrophobicContact CE1-CG2 3.54Å; Y1191-T1229 WeakPolarHBondContact OH-CG2 3.38Å; Y1191-T1232 HydrophobicContact CE2-CG2 4.26Å; Y1191-T1232 PolarHBondContact OH-OG1 3Å; Y1191-D1301 VanDerWaalsContact CE2-OD1 3.29Å; Y1191-D1301 WeakPolarHBondContact CE2-OD1 3.15Å; Y1191-D1301 PolarHBondContact OH-OD1 3.42Å
1192I88.5Confident85.2Confident7 Ų733 Ų334%0.03618%0.182CC..Hα-helixtrans-60-47.3176.7-64.1172.5000110.4L1177 G1180 A1188 L1189 T1195 L1196 F1670L1177-I1192 HydrophobicContact CD1-CB 4.44Å; L1177-I1192 HydrophobicContact CD1-CG1 4.15Å; L1177-I1192 HydrophobicContact CD1-CG2 4.42Å; G1180-I1192 WeakPolarHBondContact O-CD1 3.41Å; A1188-I1192 PolarHBondContact O-N 2.86Å; A1188-I1192 VanDerWaalsContact O-N 3.15Å; L1189-I1192 PolarHBondContact O-N 3.41Å; I1192-T1195 PolarHBondContact O-N 3.19Å; I1192-T1195 PolarHBondContact O-OG1 3.4Å; I1192-T1195 VanDerWaalsContact O-OG1 3.13Å; I1192-L1196 HydrophobicContact CG2-CD1 3.65Å; I1192-L1196 HydrophobicContact CG2-CG 4.11Å; I1192-L1196 WeakPolarHBondContact O-CB 3.44Å; I1192-L1196 VanDerWaalsContact O-CG 3.32Å; I1192-L1196 WeakPolarHBondContact O-CG 3.18Å; I1192-L1196 PolarHBondContact O-N 2.93Å; I1192-F1670 HydrophobicContact CD1-CD2 3.48Å; I1192-F1670 VanDerWaalsContact CD1-CD2 3.48Å; I1192-F1670 HydrophobicContact CD1-CE2 3.64Å; I1192-F1670 HydrophobicContact CD1-CG 4.15Å; I1192-F1670 HydrophobicContact CD1-CZ 4.43Å
1193I88.7Confident85.3Confident94 Ų9432 Ų3248%0.48217%0.171SC..Hα-helixtrans-63.1-47.1-178.5-67.6168.8000111.7L1189 G1190 T1197L1189-I1193 HydrophobicContact CD2-CD1 4.28Å; L1189-I1193 HydrophobicContact CG-CD1 3.96Å; L1189-I1193 WeakPolarHBondContact O-CG1 3.39Å; L1189-I1193 PolarHBondContact O-N 3.01Å; G1190-I1193 PolarHBondContact O-N 3.32Å; I1193-T1197 VanDerWaalsContact O-CB 3.29Å; I1193-T1197 WeakPolarHBondContact O-CB 3.34Å; I1193-T1197 PolarHBondContact O-N 3.16Å; I1193-T1197 VanDerWaalsContact O-N 3.08Å; I1193-T1197 PolarHBondContact O-OG1 2.88Å
1194F89.5Confident85.5Confident84 Ų8435.9 Ų35.937%0.36819%0.189SC..Hα-helixtrans-63.3-42.7178-81.8-60.9000112.1G1190 T1197 M1198 L1225 Y1228G1190-F1194 VanDerWaalsContact O-CD2 3.24Å; G1190-F1194 WeakPolarHBondContact O-CD2 3.41Å; G1190-F1194 PolarHBondContact O-N 3.39Å; F1194-T1197 PolarHBondContact O-N 3.13Å; F1194-M1198 VanDerWaalsContact O-CG 3.25Å; F1194-M1198 WeakPolarHBondContact O-CG 3.49Å; F1194-M1198 PolarHBondContact O-N 3.33Å; F1194-L1225 HydrophobicContact CB-CD1 4.14Å; F1194-L1225 HydrophobicContact CG-CD1 4.49Å; F1194-Y1228 HydrophobicContact CD2-CD1 4.34Å; F1194-Y1228 HydrophobicContact CD2-CD2 4.49Å; F1194-Y1228 HydrophobicContact CD2-CG 4.25Å; F1194-Y1228 HydrophobicContact CE2-CD1 4.44Å; F1194-Y1228 AromaticContact CE2-CD2 3.83Å; F1194-Y1228 HydrophobicContact CE2-CD2 3.83Å; F1194-Y1228 HydrophobicContact CE2-CE2 4.28Å; F1194-Y1228 AromaticContact CE2-CG 3.92Å; F1194-Y1228 HydrophobicContact CE2-CG 3.92Å
1195T88.7Confident85.5Confident4 Ų435.1 Ų35.13%0.02518%0.184CC..Hα-helixtrans-71.7-45.2-177.651.90000112.5T1176 L1177 Y1191 I1192 T1197 M1198 L1199T1176-T1195 VanDerWaalsContact OG1-CG2 3.23Å; T1176-T1195 WeakPolarHBondContact OG1-CG2 3.37Å; L1177-T1195 HydrophobicContact CB-CG2 4.42Å; L1177-T1195 WeakPolarHBondContact CD1-OG1 3.32Å; Y1191-T1195 WeakPolarHBondContact O-CB 3.3Å; Y1191-T1195 WeakPolarHBondContact O-CG2 3.4Å; Y1191-T1195 PolarHBondContact O-N 3.43Å; Y1191-T1195 PolarHBondContact O-OG1 3.43Å; I1192-T1195 PolarHBondContact O-N 3.19Å; I1192-T1195 PolarHBondContact O-OG1 3.4Å; I1192-T1195 VanDerWaalsContact O-OG1 3.13Å; T1195-T1197 VanDerWaalsContact C-N 3.3Å; T1195-T1197 PolarHBondContact O-N 2.85Å; T1195-M1198 PolarHBondContact O-N 3.35Å; T1195-L1199 VanDerWaalsContact O-CB 3.24Å; T1195-L1199 WeakPolarHBondContact O-CB 3.46Å; T1195-L1199 PolarHBondContact O-N 3.05Å
1196L87.7Confident85.4Confident26 Ų2635.2 Ų35.214%0.13618%0.184CC..Hα-helixtrans-58.2-41.6173.1-69.9178.9000111.7I1192 M1198 L1199 W1200 E1663 L1715I1192-L1196 HydrophobicContact CG2-CD1 3.65Å; I1192-L1196 HydrophobicContact CG2-CG 4.11Å; I1192-L1196 WeakPolarHBondContact O-CB 3.44Å; I1192-L1196 VanDerWaalsContact O-CG 3.32Å; I1192-L1196 WeakPolarHBondContact O-CG 3.18Å; I1192-L1196 PolarHBondContact O-N 2.93Å; L1196-M1198 VanDerWaalsContact C-N 3.35Å; L1196-M1198 PolarHBondContact O-N 3.16Å; L1196-L1199 PolarHBondContact O-N 3.3Å; L1196-W1200 WeakPolarHBondContact O-CB 3.35Å; L1196-W1200 PolarHBondContact O-N 2.84Å; L1196-E1663 HydrophobicContact CD2-CG 4.41Å; L1196-L1715 HydrophobicContact CD2-CD2 3.82Å
1197T86.2Confident84.8Confident77 Ų7732.9 Ų32.947%0.47217%0.172SC..Hα-helixtrans-62.3-39.8177.2-600000112.5I1193 F1194 T1195 S1201I1193-T1197 VanDerWaalsContact O-CB 3.29Å; I1193-T1197 WeakPolarHBondContact O-CB 3.34Å; I1193-T1197 PolarHBondContact O-N 3.16Å; I1193-T1197 VanDerWaalsContact O-N 3.08Å; I1193-T1197 PolarHBondContact O-OG1 2.88Å; F1194-T1197 PolarHBondContact O-N 3.13Å; T1195-T1197 VanDerWaalsContact C-N 3.3Å; T1195-T1197 PolarHBondContact O-N 2.85Å; T1197-S1201 PolarHBondContact O-N 3.13Å
1198M87.7Confident84Confident12 Ų1232.7 Ų32.76%0.05917%0.172CC..Hα-helixtrans-73.1-39175.8-68.1-77-92.700111.9L1173 F1194 T1195 L1196 S1201 G1202 L1205 R1221 W1222L1173-M1198 HydrophobicContact CD1-CB 4.37Å; L1173-M1198 HydrophobicContact CD2-CB 3.85Å; F1194-M1198 VanDerWaalsContact O-CG 3.25Å; F1194-M1198 WeakPolarHBondContact O-CG 3.49Å; F1194-M1198 PolarHBondContact O-N 3.33Å; T1195-M1198 PolarHBondContact O-N 3.35Å; L1196-M1198 VanDerWaalsContact C-N 3.35Å; L1196-M1198 PolarHBondContact O-N 3.16Å; M1198-S1201 WeakPolarHBondContact O-CB 3.18Å; M1198-S1201 PolarHBondContact O-N 3.45Å; M1198-G1202 PolarHBondContact O-N 2.85Å; M1198-L1205 HydrophobicContact CE-CD2 3.66Å; M1198-L1205 HydrophobicContact SD-CD2 3.73Å; M1198-R1221 HydrophobicContact CE-CB 4.14Å; M1198-R1221 HydrophobicContact SD-CB 4.11Å; M1198-W1222 HydrophobicContact CE-CD2 3.92Å; M1198-W1222 HydrophobicContact CE-CG 4.16Å; M1198-W1222 HydrophobicContact CE-CZ2 4Å
1199L85.7Confident83Confident5 Ų535.7 Ų35.73%0.02619%0.187CC..Hα-helixtrans-64.4-42.7178.6-159.776000111.6W1170 L1173 M1174 T1195 L1196 S1201 G1202 L1715 F1716 F1719W1170-L1199 HydrophobicContact CE3-CD1 3.97Å; W1170-L1199 HydrophobicContact CZ3-CD1 3.64Å; L1173-L1199 HydrophobicContact CD1-CD1 4.38Å; M1174-L1199 HydrophobicContact CE-CD1 4.27Å; T1195-L1199 VanDerWaalsContact O-CB 3.24Å; T1195-L1199 WeakPolarHBondContact O-CB 3.46Å; T1195-L1199 PolarHBondContact O-N 3.05Å; L1196-L1199 PolarHBondContact O-N 3.3Å; L1199-S1201 VanDerWaalsContact C-N 3.29Å; L1199-S1201 PolarHBondContact O-N 2.89Å; L1199-G1202 PolarHBondContact O-N 2.84Å; L1199-L1715 HydrophobicContact CD2-CD2 4.39Å; L1199-F1716 HydrophobicContact CD1-CE1 4.17Å; L1199-F1716 HydrophobicContact CD2-CD1 4.3Å; L1199-F1716 HydrophobicContact CD2-CE1 3.94Å; L1199-F1719 HydrophobicContact CB-CE1 4.47Å; L1199-F1719 HydrophobicContact CB-CZ 4.46Å; L1199-F1719 HydrophobicContact CD2-CD1 4.3Å; L1199-F1719 HydrophobicContact CD2-CD2 3.55Å; L1199-F1719 HydrophobicContact CD2-CE1 4.34Å; L1199-F1719 HydrophobicContact CD2-CE2 3.6Å; L1199-F1719 HydrophobicContact CD2-CG 3.92Å; L1199-F1719 HydrophobicContact CD2-CZ 4Å; L1199-F1719 HydrophobicContact CG-CD1 3.92Å; L1199-F1719 HydrophobicContact CG-CD2 4.11Å; L1199-F1719 HydrophobicContact CG-CE1 3.97Å; L1199-F1719 HydrophobicContact CG-CE2 4.15Å; L1199-F1719 HydrophobicContact CG-CG 3.99Å; L1199-F1719 HydrophobicContact CG-CZ 4.07Å; L1199-F1719 VanDerWaalsContact O-CE1 3.25Å; L1199-F1719 WeakPolarHBondContact O-CE1 3.42Å
1200W84.9Confident81.7Confident116 Ų11635.6 Ų35.644%0.43919%0.19SC..Hα-helixtrans-59.1-40174.6-174-98.5000112.2L1196 I1659 T1660 F1719 R1722L1196-W1200 WeakPolarHBondContact O-CB 3.35Å; L1196-W1200 PolarHBondContact O-N 2.84Å; W1200-I1659 HydrophobicContact CZ3-CG2 4.01Å; W1200-T1660 HydrophobicContact CH2-CG2 4.49Å; W1200-T1660 HydrophobicContact CZ3-CG2 4.49Å; W1200-F1719 HydrophobicContact CE3-CZ 4.25Å; W1200-R1722 PolarHBondContact O-NH2 3.5Å
1201S81.9Confident80.4Confident28 Ų2839.5 Ų39.520%0.19621%0.212CC..Hα-helixtrans-67.3-49.1173.9-170.90000111.9T1197 M1198 L1199 N1204T1197-S1201 PolarHBondContact O-N 3.13Å; M1198-S1201 WeakPolarHBondContact O-CB 3.18Å; M1198-S1201 PolarHBondContact O-N 3.45Å; L1199-S1201 VanDerWaalsContact C-N 3.29Å; L1199-S1201 PolarHBondContact O-N 2.89Å; S1201-N1204 WeakPolarHBondContact O-CB 3.36Å; S1201-N1204 PolarHBondContact O-N 3.5Å
1202G77.5Confident78.8Confident11 Ų1144 Ų4411%0.11324%0.236CC..G310 helixtrans54.7-145.3-17900000113.1M1198 L1199 N1204 L1205M1198-G1202 PolarHBondContact O-N 2.85Å; L1199-G1202 PolarHBondContact O-N 2.84Å; G1202-N1204 PolarHBondContact O-N 2.94Å; G1202-L1205 VanDerWaalsContact O-CB 3.24Å; G1202-L1205 WeakPolarHBondContact O-CB 3.33Å; G1202-L1205 PolarHBondContact O-N 2.84Å
1203N79.7Confident77.3Confident22 Ų2252.8 Ų52.812%0.11827%0.268CS..G310 helixtrans-51.9-25.8-177.3-62.912.5000114.5W1170 L1205 Y1206 V1207 Y1327 Y1723W1170-N1203 WeakPolarHBondContact CZ2-OD1 3.49Å; N1203-L1205 PolarHBondContact O-N 3.4Å; N1203-L1205 VanDerWaalsContact O-N 3.08Å; N1203-Y1206 PolarHBondContact O-N 3.15Å; N1203-V1207 PolarHBondContact O-N 3.49Å; N1203-Y1327 HydrophobicContact CB-CD1 4.2Å; N1203-Y1723 WeakPolarHBondContact ND2-CE2 3.34Å
1204N79Confident76.1Confident90 Ų9049.1 Ų49.148%0.48125%0.251SS..G310 helixtrans-59.1-21.3176.5-65.54.2000112.7S1201 G1202 Y1206S1201-N1204 WeakPolarHBondContact O-CB 3.36Å; S1201-N1204 PolarHBondContact O-N 3.5Å; G1202-N1204 PolarHBondContact O-N 2.94Å; N1204-Y1206 VanDerWaalsContact C-N 3.28Å; N1204-Y1206 PolarHBondContact O-N 3.45Å
1205L78.5Confident75.5Confident10 Ų1045.4 Ų45.45%0.05224%0.235CC..G310 helixtrans-67.7-25.2175.6-171.264.9000113.3M1198 G1202 N1203 T1218M1198-L1205 HydrophobicContact CE-CD2 3.66Å; M1198-L1205 HydrophobicContact SD-CD2 3.73Å; G1202-L1205 VanDerWaalsContact O-CB 3.24Å; G1202-L1205 WeakPolarHBondContact O-CB 3.33Å; G1202-L1205 PolarHBondContact O-N 2.84Å; N1203-L1205 PolarHBondContact O-N 3.4Å; N1203-L1205 VanDerWaalsContact O-N 3.08Å; L1205-T1218 HydrophobicContact CD1-CG2 4.25Å; L1205-T1218 VanDerWaalsContact CD1-OG1 3.28Å; L1205-T1218 WeakPolarHBondContact CD1-OG1 3.43Å; L1205-T1218 HydrophobicContact CD2-CG2 4.05Å; L1205-T1218 HydrophobicContact CG-CG2 3.73Å; L1205-T1218 WeakPolarHBondContact CG-OG1 3.47Å; L1205-T1218 PolarHBondContact O-OG1 3.32Å
1206Y81.4Confident74.9Confident6 Ų648.3 Ų48.32%0.02425%0.248CC..THydrogen-bonded Turntrans-100.2-16-179.9-50.7-61.8000112.9H1169 N1203 N1204 M1208 T1218 F1315 F1320 Y1327H1169-Y1206 WeakPolarHBondContact CB-OH 3.47Å; H1169-Y1206 AromaticContact CD2-CE2 3.61Å; H1169-Y1206 AromaticContact CD2-CZ 3.92Å; H1169-Y1206 PolarHBondContact CD2-OH 3.48Å; H1169-Y1206 AromaticContact CE1-CE2 3.87Å; H1169-Y1206 AromaticContact CG-CE2 3.92Å; H1169-Y1206 AromaticContact CG-CZ 3.98Å; H1169-Y1206 AromaticContact NE2-CE2 3.55Å; N1203-Y1206 PolarHBondContact O-N 3.15Å; N1204-Y1206 VanDerWaalsContact C-N 3.28Å; N1204-Y1206 PolarHBondContact O-N 3.45Å; Y1206-M1208 PolarHBondContact O-N 3.35Å; Y1206-T1218 HydrophobicContact CD1-CG2 4.19Å; Y1206-T1218 HydrophobicContact CE1-CG2 4.03Å; Y1206-F1315 HydrophobicContact CD1-CE1 4.46Å; Y1206-F1315 AromaticContact CE1-CE1 3.73Å; Y1206-F1315 HydrophobicContact CE1-CE1 3.73Å; Y1206-F1315 AromaticContact CE1-CZ 3.85Å; Y1206-F1315 HydrophobicContact CE1-CZ 3.85Å; Y1206-F1320 HydrophobicContact CD1-CE1 4.45Å; Y1206-F1320 AromaticContact CD1-CZ 3.78Å; Y1206-F1320 HydrophobicContact CD1-CZ 3.78Å; Y1206-F1320 HydrophobicContact CE1-CZ 4.21Å; Y1206-F1320 HydrophobicContact CG-CZ 4.19Å; Y1206-Y1327 HydrophobicContact CD2-CD2 4.24Å; Y1206-Y1327 AromaticContact CD2-CE2 3.94Å; Y1206-Y1327 HydrophobicContact CD2-CE2 3.94Å; Y1206-Y1327 HydrophobicContact CG-CD2 4.31Å; Y1206-Y1327 HydrophobicContact CG-CE2 4.22Å
1207V73.8Confident74.5Confident18 Ų1850.5 Ų50.511%0.10926%0.257CS..SBendtrans-73.995.9172.8179.10000108.6N1203 N1209 R1328 V1331 L1559N1203-V1207 PolarHBondContact O-N 3.49Å; V1207-N1209 PolarHBondContact O-N 3.42Å; V1207-R1328 HydrophobicContact CG1-CG 4.46Å; V1207-V1331 HydrophobicContact CG2-CG2 4.1Å; V1207-L1559 HydrophobicContact CG1-CD1 3.97Å; V1207-L1559 HydrophobicContact CG1-CD2 3.62Å; V1207-L1559 HydrophobicContact CG1-CG 4.47Å
1208M70.6Confident74.3Confident13 Ų1346.9 Ų46.96%0.06424%0.235CC..  trans-59.198.9174.8-68.2174.5134.100111.2F1138 I1140 Y1206 F1215 M1324 R1328 T1555F1138-M1208 HydrophobicContact CD1-CE 3.74Å; F1138-M1208 HydrophobicContact CE1-CE 4.49Å; I1140-M1208 HydrophobicContact CD1-SD 3.72Å; I1140-M1208 HydrophobicContact CG1-SD 4.2Å; Y1206-M1208 PolarHBondContact O-N 3.35Å; M1208-F1215 HydrophobicContact CE-CB 3.41Å; M1208-F1215 VanDerWaalsContact CE-CB 3.41Å; M1208-F1215 HydrophobicContact CE-CG 4.23Å; M1208-F1215 HydrophobicContact CG-CB 4.36Å; M1208-M1324 HydrophobicContact CE-CE 4.13Å; M1208-M1324 HydrophobicContact CG-CE 3.71Å; M1208-M1324 HydrophobicContact SD-CE 3.67Å; M1208-R1328 PolarHBondContact O-NH1 2.93Å; M1208-T1555 HydrophobicContact CB-CG2 3.72Å; M1208-T1555 HydrophobicContact CG-CG2 4.36Å; M1208-T1555 HydrophobicContact SD-CG2 3.83Å; M1208-T1555 PolarHBondContact SD-OG1 3.01Å
1209N66.5Low74.1Confident67 Ų6747 Ų4736%0.35824%0.236SC..  trans-73153.6166.4-162.22.9000109.5V1207 T1211V1207-N1209 PolarHBondContact O-N 3.42Å; N1209-T1211 PolarHBondContact ND2-OG1 3.35Å
1210S60.4Low74Confident41 Ų4152.6 Ų52.629%0.28726%0.26SS..THydrogen-bonded Turntrans-81.4-23.4-176.563.10000113.9T1555 S1556 K1558S1210-T1555 WeakPolarHBondContact CB-O 3.44Å; S1210-S1556 WeakPolarHBondContact CB-O 3.42Å; S1210-S1556 PolarHBondContact OG-O 2.89Å; S1210-K1558 VanDerWaalsContact OG-CG 3.3Å; S1210-K1558 WeakPolarHBondContact OG-CG 3.49Å
1211T61.3Low74.2Confident96 Ų9651.3 Ų51.359%0.58926%0.255SS*.THydrogen-bonded Turntrans-81.4-15.3-176.851.50000114.8N1209N1209-T1211 PolarHBondContact ND2-OG1 3.35Å
1212L56.2Low74.6Confident98 Ų9850 Ų5051%0.51325%0.246SC..THydrogen-bonded Turntrans-128.7133.7169.7-69.185.1000107.1S1214L1212-S1214 PolarHBondContact O-N 2.86Å
1213R57.6Low75.1Confident191 Ų19152.6 Ų52.672%0.72126%0.257SS*.THydrogen-bonded Turntrans-68.272.4175.2-72.7-174.1176.4-173.1-0.4110.9F1215 E1216 H1217R1213-F1215 PolarHBondContact O-N 3.08Å; R1213-E1216 PolarHBondContact O-N 3.49Å; R1213-H1217 PolarHBondContact O-N 3.18Å
1214S64.1Low75.6Confident17 Ų1753.9 Ų53.912%0.11927%0.271CS..Hα-helixtrans-68.9-32.4-149.9-160.30000114L1212 E1216 H1217 T1218L1212-S1214 PolarHBondContact O-N 2.86Å; S1214-E1216 PolarHBondContact O-N 3.06Å; S1214-H1217 PolarHBondContact O-N 3.46Å; S1214-T1218 WeakPolarHBondContact O-CB 3.14Å; S1214-T1218 PolarHBondContact O-N 3.31Å; S1214-T1218 PolarHBondContact O-OG1 2.83Å
1215F76.3Confident76.2Confident6 Ų649.7 Ų49.73%0.02625%0.249CC..Hα-helixtrans-69.4-33.7-179.2-173.4-100.3000112.7F1138 M1208 R1213 T1218 L1219 F1315 F1320 M1324F1138-F1215 HydrophobicContact CB-CD1 3.67Å; F1138-F1215 HydrophobicContact CB-CE1 4.09Å; F1138-F1215 HydrophobicContact CD1-CD1 4.09Å; F1138-F1215 HydrophobicContact CD1-CE1 4.37Å; F1138-F1215 HydrophobicContact CD1-CG 4.37Å; F1138-F1215 HydrophobicContact CD2-CD1 4.05Å; F1138-F1215 AromaticContact CD2-CE1 3.63Å; F1138-F1215 HydrophobicContact CD2-CE1 3.63Å; F1138-F1215 HydrophobicContact CD2-CZ 4.26Å; F1138-F1215 HydrophobicContact CE2-CE1 4.11Å; F1138-F1215 HydrophobicContact CE2-CZ 4.27Å; F1138-F1215 AromaticContact CG-CD1 3.67Å; F1138-F1215 HydrophobicContact CG-CD1 3.67Å; F1138-F1215 AromaticContact CG-CE1 3.77Å; F1138-F1215 HydrophobicContact CG-CE1 3.77Å; F1138-F1215 HydrophobicContact CG-CG 4.4Å; M1208-F1215 HydrophobicContact CE-CB 3.41Å; M1208-F1215 VanDerWaalsContact CE-CB 3.41Å; M1208-F1215 HydrophobicContact CE-CG 4.23Å; M1208-F1215 HydrophobicContact CG-CB 4.36Å; R1213-F1215 PolarHBondContact O-N 3.08Å; F1215-T1218 PolarHBondContact O-N 2.94Å; F1215-L1219 WeakPolarHBondContact O-CB 3.46Å; F1215-L1219 PolarHBondContact O-N 3.47Å; F1215-F1315 HydrophobicContact CZ-CB 4.3Å; F1215-F1320 HydrophobicContact CE2-CD1 4.48Å; F1215-F1320 HydrophobicContact CE2-CE1 4.07Å; F1215-M1324 HydrophobicContact CD2-CE 3.89Å; F1215-M1324 HydrophobicContact CD2-SD 4.28Å; F1215-M1324 HydrophobicContact CE2-CE 4.49Å; F1215-M1324 HydrophobicContact CE2-SD 4.3Å; F1215-M1324 HydrophobicContact CG-CE 4.47Å
1216E76.5Confident76.8Confident64 Ų6449.6 Ų49.630%0.29925%0.248SC..Hα-helixtrans-66-41.3173.1-166.8-161.3142.800110.8R1213 S1214 L1219 K1220R1213-E1216 PolarHBondContact O-N 3.49Å; S1214-E1216 PolarHBondContact O-N 3.06Å; E1216-L1219 PolarHBondContact O-N 3.01Å; E1216-K1220 HydrophobicContact CG-CD 4.44Å; E1216-K1220 WeakPolarHBondContact O-CB 3.23Å; E1216-K1220 VanDerWaalsContact O-CG 3.28Å; E1216-K1220 WeakPolarHBondContact O-CG 3.37Å; E1216-K1220 PolarHBondContact O-N 2.83Å; E1216-K1220 WeakPolarHBondContact OE1-CE 3.23Å; E1216-K1220 IonicContact OE1-NZ 3.88Å; E1216-K1220 PolarHBondContact OE1-NZ 2.9Å
1217H78.4Confident77.3Confident73 Ų7350.6 Ų50.634%0.33826%0.26SS..Hα-helixtrans-66.7-37.2174.1176.4-136.1000112.4R1213 S1214 K1220 R1221R1213-H1217 PolarHBondContact O-N 3.18Å; S1214-H1217 PolarHBondContact O-N 3.46Å; H1217-K1220 PolarHBondContact O-N 3.45Å; H1217-R1221 PolarHBondContact CE1-NE 2.97Å; H1217-R1221 PolarHBondContact CE1-NH2 3.47Å; H1217-R1221 PolarHBondContact NE2-NE 3.26Å; H1217-R1221 WeakPolarHBondContact O-CG 3.39Å; H1217-R1221 PolarHBondContact O-N 3.36Å
1218T81.8Confident78.2Confident1 Ų151.6 Ų51.61%0.00626%0.262CS..Hα-helixtrans-65.5-46.4173.2-66.30000111.3L1205 Y1206 S1214 F1215 K1220 R1221 W1222L1205-T1218 HydrophobicContact CD1-CG2 4.25Å; L1205-T1218 VanDerWaalsContact CD1-OG1 3.28Å; L1205-T1218 WeakPolarHBondContact CD1-OG1 3.43Å; L1205-T1218 HydrophobicContact CD2-CG2 4.05Å; L1205-T1218 HydrophobicContact CG-CG2 3.73Å; L1205-T1218 WeakPolarHBondContact CG-OG1 3.47Å; L1205-T1218 PolarHBondContact O-OG1 3.32Å; Y1206-T1218 HydrophobicContact CD1-CG2 4.19Å; Y1206-T1218 HydrophobicContact CE1-CG2 4.03Å; S1214-T1218 WeakPolarHBondContact O-CB 3.14Å; S1214-T1218 PolarHBondContact O-N 3.31Å; S1214-T1218 PolarHBondContact O-OG1 2.83Å; F1215-T1218 PolarHBondContact O-N 2.94Å; T1218-K1220 VanDerWaalsContact C-N 3.33Å; T1218-K1220 PolarHBondContact O-N 3.33Å; T1218-R1221 WeakPolarHBondContact O-CB 3.39Å; T1218-R1221 PolarHBondContact O-N 2.83Å; T1218-R1221 VanDerWaalsContact O-N 3.15Å; T1218-W1222 VanDerWaalsContact O-CD1 3.24Å; T1218-W1222 PolarHBondContact O-N 3.49Å
1219L83.5Confident79.3Confident13 Ų1351 Ų517%0.06826%0.259CS..Hα-helixtrans-62.3-40.8174.6-160.279.3000110.9Y1133 F1215 E1216 R1221 W1222 N1223Y1133-L1219 HydrophobicContact CD1-CD2 4.26Å; Y1133-L1219 HydrophobicContact CE1-CD2 3.84Å; F1215-L1219 WeakPolarHBondContact O-CB 3.46Å; F1215-L1219 PolarHBondContact O-N 3.47Å; E1216-L1219 PolarHBondContact O-N 3.01Å; L1219-R1221 VanDerWaalsContact C-N 3.33Å; L1219-R1221 PolarHBondContact O-N 3.32Å; L1219-W1222 PolarHBondContact O-N 2.88Å; L1219-N1223 VanDerWaalsContact O-CB 3.29Å; L1219-N1223 WeakPolarHBondContact O-CB 3.49Å; L1219-N1223 PolarHBondContact O-N 3.25Å; L1219-N1223 PolarHBondContact O-OD1 3.17Å
1220K85.1Confident80.6Confident124 Ų12448.1 Ų48.154%0.53924%0.244SC..Hα-helixtrans-60.9-36.8172.8-79.2169.8169.8173.10112.8E1216 H1217 T1218 A1224E1216-K1220 HydrophobicContact CG-CD 4.44Å; E1216-K1220 WeakPolarHBondContact O-CB 3.23Å; E1216-K1220 VanDerWaalsContact O-CG 3.28Å; E1216-K1220 WeakPolarHBondContact O-CG 3.37Å; E1216-K1220 PolarHBondContact O-N 2.83Å; E1216-K1220 WeakPolarHBondContact OE1-CE 3.23Å; E1216-K1220 IonicContact OE1-NZ 3.88Å; E1216-K1220 PolarHBondContact OE1-NZ 2.9Å; H1217-K1220 PolarHBondContact O-N 3.45Å; T1218-K1220 VanDerWaalsContact C-N 3.33Å; T1218-K1220 PolarHBondContact O-N 3.33Å; K1220-A1224 VanDerWaalsContact O-CB 3.26Å; K1220-A1224 WeakPolarHBondContact O-CB 3.36Å; K1220-A1224 PolarHBondContact O-N 3.15Å
1221R87.3Confident82.1Confident88 Ų8851.1 Ų51.133%0.33225%0.252SS..Hα-helixtrans-68.4-43.1173.7-75.5173.7175-142.8-6.7112.8M1198 H1217 T1218 L1219 A1224 L1225M1198-R1221 HydrophobicContact CE-CB 4.14Å; M1198-R1221 HydrophobicContact SD-CB 4.11Å; H1217-R1221 PolarHBondContact CE1-NE 2.97Å; H1217-R1221 PolarHBondContact CE1-NH2 3.47Å; H1217-R1221 PolarHBondContact NE2-NE 3.26Å; H1217-R1221 WeakPolarHBondContact O-CG 3.39Å; H1217-R1221 PolarHBondContact O-N 3.36Å; T1218-R1221 WeakPolarHBondContact O-CB 3.39Å; T1218-R1221 PolarHBondContact O-N 2.83Å; T1218-R1221 VanDerWaalsContact O-N 3.15Å; L1219-R1221 VanDerWaalsContact C-N 3.33Å; L1219-R1221 PolarHBondContact O-N 3.32Å; R1221-A1224 PolarHBondContact O-N 3.06Å; R1221-L1225 PolarHBondContact O-N 3.3Å
1222W90.1Very high83.5Confident0 Ų046.6 Ų46.60%022%0.224CC..Hα-helixtrans-67.6-36.8174.9-76.8104000112.4T1172 L1173 M1198 T1218 L1219 L1225 L1226 L1308 Q1311 F1315T1172-W1222 VanDerWaalsContact OG1-CH2 3.26Å; T1172-W1222 WeakPolarHBondContact OG1-CH2 3.48Å; L1173-W1222 HydrophobicContact CD2-CH2 3.76Å; L1173-W1222 HydrophobicContact CD2-CZ2 4.32Å; L1173-W1222 HydrophobicContact CD2-CZ3 4.42Å; L1173-W1222 HydrophobicContact CG-CH2 3.99Å; M1198-W1222 HydrophobicContact CE-CD2 3.92Å; M1198-W1222 HydrophobicContact CE-CG 4.16Å; M1198-W1222 HydrophobicContact CE-CZ2 4Å; T1218-W1222 VanDerWaalsContact O-CD1 3.24Å; T1218-W1222 PolarHBondContact O-N 3.49Å; L1219-W1222 PolarHBondContact O-N 2.88Å; W1222-L1225 HydrophobicContact CE3-CD2 4.2Å; W1222-L1225 HydrophobicContact CZ3-CD2 4.15Å; W1222-L1225 PolarHBondContact O-N 2.91Å; W1222-L1226 PolarHBondContact O-N 2.94Å; W1222-L1308 HydrophobicContact CE3-CD2 3.63Å; W1222-L1308 HydrophobicContact CZ3-CD2 3.67Å; W1222-Q1311 HydrophobicContact CZ3-CG 4.49Å; W1222-F1315 AromaticContact CD1-CE2 3.54Å; W1222-F1315 AromaticContact CD2-CE2 3.82Å; W1222-F1315 HydrophobicContact CD2-CE2 3.82Å; W1222-F1315 HydrophobicContact CD2-CZ 4.34Å; W1222-F1315 AromaticContact CE2-CE2 3.72Å; W1222-F1315 AromaticContact CE2-CZ 3.76Å; W1222-F1315 AromaticContact CG-CE2 3.74Å; W1222-F1315 HydrophobicContact CG-CE2 3.74Å; W1222-F1315 HydrophobicContact CG-CZ 4.5Å; W1222-F1315 HydrophobicContact CZ2-CE2 4.42Å; W1222-F1315 HydrophobicContact CZ2-CZ 4.14Å; W1222-F1315 AromaticContact NE1-CE2 3.53Å; W1222-F1315 AromaticContact NE1-CZ 3.54Å
1223N89.5Confident85.2Confident66 Ų6642 Ų4235%0.35320%0.2SC..Hα-helixtrans-72.2-29.3174.2-68.81.8000112.4L1219 G1227L1219-N1223 VanDerWaalsContact O-CB 3.29Å; L1219-N1223 WeakPolarHBondContact O-CB 3.49Å; L1219-N1223 PolarHBondContact O-N 3.25Å; L1219-N1223 PolarHBondContact O-OD1 3.17Å; N1223-G1227 PolarHBondContact O-N 3.21Å
1224A90.2Very high86.8Confident50 Ų5034.6 Ų34.641%0.41318%0.176SC..Hα-helixtrans-68.5-38.2169.900000111.5K1220 R1221 G1227 Y1228K1220-A1224 VanDerWaalsContact O-CB 3.26Å; K1220-A1224 WeakPolarHBondContact O-CB 3.36Å; K1220-A1224 PolarHBondContact O-N 3.15Å; R1221-A1224 PolarHBondContact O-N 3.06Å; A1224-G1227 PolarHBondContact O-N 2.97Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.46Å; A1224-Y1228 PolarHBondContact O-N 3.16Å
1225L91.3Very high88Confident2 Ų236.9 Ų36.91%0.0119%0.186CC..Hα-helixtrans-66.8-42.6173.1-176.755.9000111.8T1176 F1194 R1221 W1222 Y1228 T1229 L1308T1176-L1225 HydrophobicContact CG2-CD2 4.25Å; F1194-L1225 HydrophobicContact CB-CD1 4.14Å; F1194-L1225 HydrophobicContact CG-CD1 4.49Å; R1221-L1225 PolarHBondContact O-N 3.3Å; W1222-L1225 HydrophobicContact CE3-CD2 4.2Å; W1222-L1225 HydrophobicContact CZ3-CD2 4.15Å; W1222-L1225 PolarHBondContact O-N 2.91Å; L1225-Y1228 WeakPolarHBondContact O-CB 3.35Å; L1225-Y1228 PolarHBondContact O-N 3.36Å; L1225-T1229 WeakPolarHBondContact O-CG2 3.29Å; L1225-T1229 PolarHBondContact O-N 2.89Å; L1225-L1308 HydrophobicContact CD2-CD2 3.95Å; L1225-L1308 HydrophobicContact CG-CD1 4.25Å; L1225-L1308 HydrophobicContact CG-CD2 4.1Å
1226L91.8Very high88.7Confident8 Ų837.9 Ų37.94%0.04219%0.19CC..Hα-helixtrans-61.6-43.2170.9176.866.7000112.1W1222 Y1228 T1229 L1230 L1305 L1308 I1312W1222-L1226 PolarHBondContact O-N 2.94Å; L1226-Y1228 VanDerWaalsContact C-N 3.26Å; L1226-Y1228 PolarHBondContact O-N 3.12Å; L1226-T1229 PolarHBondContact O-N 3.19Å; L1226-T1229 PolarHBondContact O-OG1 3.26Å; L1226-L1230 HydrophobicContact CD1-CD1 4.17Å; L1226-L1230 HydrophobicContact CD1-CG 4.31Å; L1226-L1230 HydrophobicContact CG-CD1 3.95Å; L1226-L1230 WeakPolarHBondContact O-CB 3.35Å; L1226-L1230 VanDerWaalsContact O-CG 3.31Å; L1226-L1230 WeakPolarHBondContact O-CG 3.44Å; L1226-L1230 PolarHBondContact O-N 2.83Å; L1226-L1305 HydrophobicContact CD1-CD1 3.46Å; L1226-L1305 VanDerWaalsContact CD1-CD1 3.46Å; L1226-L1308 HydrophobicContact CD1-CB 4.31Å; L1226-I1312 HydrophobicContact CB-CD1 4.26Å; L1226-I1312 HydrophobicContact CD2-CD1 3.72Å; L1226-I1312 HydrophobicContact CG-CD1 4.5Å
1227G91.6Very high89.3Confident27 Ų2734.8 Ų34.828%0.27818%0.176SC..Hα-helixtrans-60.8-37.6174.800000112N1223 A1224 F1231N1223-G1227 PolarHBondContact O-N 3.21Å; A1224-G1227 PolarHBondContact O-N 2.97Å; G1227-F1231 VanDerWaalsContact O-CB 3.24Å; G1227-F1231 WeakPolarHBondContact O-CB 3.46Å; G1227-F1231 PolarHBondContact O-N 3.09Å
1228Y93Very high89.8Confident39 Ų3934.1 Ų34.115%0.15318%0.179CC..Hα-helixtrans-64.8-45.5173.1-173.3-100.5000112.1F1187 G1190 Y1191 F1194 A1224 L1225 L1226 L1230 F1231 T1232F1187-Y1228 WeakPolarHBondContact CA-OH 3.44Å; F1187-Y1228 PolarHBondContact O-OH 3.28Å; G1190-Y1228 WeakPolarHBondContact CA-OH 3.25Å; Y1191-Y1228 HydrophobicContact CD1-CD1 4.34Å; Y1191-Y1228 HydrophobicContact CD1-CE1 4.24Å; Y1191-Y1228 AromaticContact CD2-CE1 3.94Å; Y1191-Y1228 HydrophobicContact CD2-CE1 3.94Å; Y1191-Y1228 HydrophobicContact CE1-CD1 4.23Å; Y1191-Y1228 HydrophobicContact CE1-CE1 4.37Å; Y1191-Y1228 HydrophobicContact CE2-CE1 4.06Å; Y1191-Y1228 HydrophobicContact CG-CE1 4.04Å; F1194-Y1228 HydrophobicContact CD2-CD1 4.34Å; F1194-Y1228 HydrophobicContact CD2-CD2 4.49Å; F1194-Y1228 HydrophobicContact CD2-CG 4.25Å; F1194-Y1228 HydrophobicContact CE2-CD1 4.44Å; F1194-Y1228 AromaticContact CE2-CD2 3.83Å; F1194-Y1228 HydrophobicContact CE2-CD2 3.83Å; F1194-Y1228 HydrophobicContact CE2-CE2 4.28Å; F1194-Y1228 AromaticContact CE2-CG 3.92Å; F1194-Y1228 HydrophobicContact CE2-CG 3.92Å; A1224-Y1228 WeakPolarHBondContact O-CB 3.46Å; A1224-Y1228 PolarHBondContact O-N 3.16Å; L1225-Y1228 WeakPolarHBondContact O-CB 3.35Å; L1225-Y1228 PolarHBondContact O-N 3.36Å; L1226-Y1228 VanDerWaalsContact C-N 3.26Å; L1226-Y1228 PolarHBondContact O-N 3.12Å; Y1228-L1230 PolarHBondContact O-N 3.39Å; Y1228-F1231 CarbonylContact O-C 3.55Å; Y1228-F1231 WeakPolarHBondContact O-CB 3.26Å; Y1228-F1231 PolarHBondContact O-N 3.39Å; Y1228-T1232 HydrophobicContact CD1-CG2 4.11Å; Y1228-T1232 HydrophobicContact CE1-CG2 3.66Å; Y1228-T1232 HydrophobicContact CE2-CG2 4.34Å; Y1228-T1232 WeakPolarHBondContact O-CG2 3.44Å; Y1228-T1232 PolarHBondContact O-N 2.74Å
1229T92.9Very high90Very high0 Ų036.3 Ų36.30%019%0.19CC..Hα-helixtrans-68.7-34.5179.171.40000113Y1191 L1225 L1226 F1231 T1232 I1233 L1308Y1191-T1229 HydrophobicContact CE1-CG2 3.54Å; Y1191-T1229 WeakPolarHBondContact OH-CG2 3.38Å; L1225-T1229 WeakPolarHBondContact O-CG2 3.29Å; L1225-T1229 PolarHBondContact O-N 2.89Å; L1226-T1229 PolarHBondContact O-N 3.19Å; L1226-T1229 PolarHBondContact O-OG1 3.26Å; T1229-F1231 VanDerWaalsContact C-N 3.34Å; T1229-T1232 PolarHBondContact O-OG1 3.19Å; T1229-T1232 VanDerWaalsContact O-OG1 3.09Å; T1229-I1233 WeakPolarHBondContact O-CD1 3.45Å; T1229-I1233 VanDerWaalsContact O-CG1 3.25Å; T1229-I1233 WeakPolarHBondContact O-CG1 3.49Å; T1229-I1233 PolarHBondContact O-N 2.91Å; T1229-I1233 VanDerWaalsContact O-N 3.1Å; T1229-L1308 HydrophobicContact CG2-CD1 3.48Å; T1229-L1308 VanDerWaalsContact CG2-CD1 3.48Å
1230L93.2Very high90.2Very high6 Ų636 Ų363%0.03119%0.188CC..Hα-helixtrans-67.5-36.2172-69.5168.9000111.6L1026 V1027 A1030 L1031 L1226 Y1228 T1234 L1305L1026-L1230 HydrophobicContact CD2-CD2 4.32Å; L1026-L1230 HydrophobicContact CG-CD2 4.06Å; V1027-L1230 HydrophobicContact CG2-CB 4.2Å; V1027-L1230 HydrophobicContact CG2-CD2 4.49Å; A1030-L1230 HydrophobicContact CB-CD1 3.77Å; A1030-L1230 HydrophobicContact CB-CD2 4.36Å; L1031-L1230 HydrophobicContact CD2-CD1 3.93Å; L1031-L1230 HydrophobicContact CG-CD1 4.13Å; L1226-L1230 HydrophobicContact CD1-CD1 4.17Å; L1226-L1230 HydrophobicContact CD1-CG 4.31Å; L1226-L1230 HydrophobicContact CG-CD1 3.95Å; L1226-L1230 WeakPolarHBondContact O-CB 3.35Å; L1226-L1230 VanDerWaalsContact O-CG 3.31Å; L1226-L1230 WeakPolarHBondContact O-CG 3.44Å; L1226-L1230 PolarHBondContact O-N 2.83Å; Y1228-L1230 PolarHBondContact O-N 3.39Å; L1230-T1234 WeakPolarHBondContact O-CB 3.34Å; L1230-T1234 PolarHBondContact O-N 3.43Å; L1230-T1234 PolarHBondContact O-OG1 3.1Å; L1230-L1305 HydrophobicContact CD2-CD1 3.94Å; L1230-L1305 HydrophobicContact CD2-CD2 4.43Å; L1230-L1305 HydrophobicContact CG-CD1 4.35Å
1231F91.9Very high89.9Confident105 Ų10532.2 Ų32.246%0.46117%0.173SC..Hα-helixtrans-68.2-44.5173.9176.9-101000112.3G1227 Y1228 T1229 T1234 M1235G1227-F1231 VanDerWaalsContact O-CB 3.24Å; G1227-F1231 WeakPolarHBondContact O-CB 3.46Å; G1227-F1231 PolarHBondContact O-N 3.09Å; Y1228-F1231 CarbonylContact O-C 3.55Å; Y1228-F1231 WeakPolarHBondContact O-CB 3.26Å; Y1228-F1231 PolarHBondContact O-N 3.39Å; T1229-F1231 VanDerWaalsContact C-N 3.34Å; F1231-T1234 PolarHBondContact O-N 3.2Å; F1231-M1235 HydrophobicContact CD1-CG 4.16Å; F1231-M1235 HydrophobicContact CD2-CG 3.89Å; F1231-M1235 HydrophobicContact CE1-CG 3.83Å; F1231-M1235 HydrophobicContact CE2-CE 4.18Å; F1231-M1235 HydrophobicContact CE2-CG 3.52Å; F1231-M1235 HydrophobicContact CE2-SD 3.87Å; F1231-M1235 HydrophobicContact CG-CG 4.2Å; F1231-M1235 HydrophobicContact CZ-CG 3.5Å; F1231-M1235 VanDerWaalsContact CZ-CG 3.5Å; F1231-M1235 HydrophobicContact CZ-SD 3.98Å; F1231-M1235 VanDerWaalsContact O-CB 3.28Å; F1231-M1235 WeakPolarHBondContact O-CB 3.39Å; F1231-M1235 VanDerWaalsContact O-CG 3.25Å; F1231-M1235 WeakPolarHBondContact O-CG 3.43Å; F1231-M1235 PolarHBondContact O-N 2.89Å
1232T90.8Very high89.7Confident0 Ų031.7 Ų31.70%017%0.174CC..Hα-helixtrans-64-42177.458.30000112F1187 Y1191 Y1228 T1229 K1236 D1301F1187-T1232 HydrophobicContact CB-CG2 4.05Å; F1187-T1232 HydrophobicContact CD1-CG2 3.94Å; F1187-T1232 HydrophobicContact CG-CG2 4.28Å; Y1191-T1232 HydrophobicContact CE2-CG2 4.26Å; Y1191-T1232 PolarHBondContact OH-OG1 3Å; Y1228-T1232 HydrophobicContact CD1-CG2 4.11Å; Y1228-T1232 HydrophobicContact CE1-CG2 3.66Å; Y1228-T1232 HydrophobicContact CE2-CG2 4.34Å; Y1228-T1232 WeakPolarHBondContact O-CG2 3.44Å; Y1228-T1232 PolarHBondContact O-N 2.74Å; T1229-T1232 PolarHBondContact O-OG1 3.19Å; T1229-T1232 VanDerWaalsContact O-OG1 3.09Å; T1232-K1236 WeakPolarHBondContact O-CB 3.45Å; T1232-K1236 WeakPolarHBondContact O-CG 3.39Å; T1232-K1236 PolarHBondContact O-N 3.08Å; T1232-D1301 PolarHBondContact OG1-OD1 2.66Å
1233I91.7Very high89.2Confident3 Ų331.8 Ų31.82%0.01517%0.174CC..Hα-helixtrans-59.5-52.8173.9-69.2167.2000110.4I1011 T1229 M1235 K1236 V1237 I1298 D1301 V1302 L1305I1011-I1233 HydrophobicContact CG2-CG2 4.29Å; T1229-I1233 WeakPolarHBondContact O-CD1 3.45Å; T1229-I1233 VanDerWaalsContact O-CG1 3.25Å; T1229-I1233 WeakPolarHBondContact O-CG1 3.49Å; T1229-I1233 PolarHBondContact O-N 2.91Å; T1229-I1233 VanDerWaalsContact O-N 3.1Å; I1233-M1235 PolarHBondContact O-N 3.34Å; I1233-K1236 PolarHBondContact O-N 3.11Å; I1233-V1237 WeakPolarHBondContact O-CG2 3.06Å; I1233-V1237 PolarHBondContact O-N 2.8Å; I1233-I1298 HydrophobicContact CG2-CD1 4.03Å; I1233-D1301 HydrophobicContact CD1-CB 4.04Å; I1233-D1301 HydrophobicContact CG1-CB 3.57Å; I1233-V1302 HydrophobicContact CD1-CG2 4.27Å; I1233-L1305 HydrophobicContact CD1-CB 4.4Å; I1233-L1305 HydrophobicContact CD1-CD2 4Å
1234T91.7Very high88.8Confident35 Ų3528.7 Ų28.722%0.21516%0.158CC..Hα-helixtrans-62.1-43.1-177.7-53.30000111.5C1023 L1230 F1231 V1237 C1238C1023-T1234 HydrophobicContact CB-CG2 4.37Å; L1230-T1234 WeakPolarHBondContact O-CB 3.34Å; L1230-T1234 PolarHBondContact O-N 3.43Å; L1230-T1234 PolarHBondContact O-OG1 3.1Å; F1231-T1234 PolarHBondContact O-N 3.2Å; T1234-V1237 PolarHBondContact O-N 3.12Å; T1234-C1238 WeakPolarHBondContact O-CB 3.39Å; T1234-C1238 PolarHBondContact O-N 3.32Å; T1234-C1238 PolarHBondContact O-SG 3.2Å
1235M90Very high88.3Confident64 Ų6426.4 Ų26.432%0.31514%0.139SC..Hα-helixtrans-67.3-41.9177.8-71.9-67104.300112.5F1187 F1231 I1233 V1237 C1238 L1239F1187-M1235 HydrophobicContact CE1-CB 4.33Å; F1187-M1235 HydrophobicContact CZ-CB 4.17Å; F1231-M1235 HydrophobicContact CD1-CG 4.16Å; F1231-M1235 HydrophobicContact CD2-CG 3.89Å; F1231-M1235 HydrophobicContact CE1-CG 3.83Å; F1231-M1235 HydrophobicContact CE2-CE 4.18Å; F1231-M1235 HydrophobicContact CE2-CG 3.52Å; F1231-M1235 HydrophobicContact CE2-SD 3.87Å; F1231-M1235 HydrophobicContact CG-CG 4.2Å; F1231-M1235 HydrophobicContact CZ-CG 3.5Å; F1231-M1235 VanDerWaalsContact CZ-CG 3.5Å; F1231-M1235 HydrophobicContact CZ-SD 3.98Å; F1231-M1235 VanDerWaalsContact O-CB 3.28Å; F1231-M1235 WeakPolarHBondContact O-CB 3.39Å; F1231-M1235 VanDerWaalsContact O-CG 3.25Å; F1231-M1235 WeakPolarHBondContact O-CG 3.43Å; F1231-M1235 PolarHBondContact O-N 2.89Å; I1233-M1235 PolarHBondContact O-N 3.34Å; M1235-V1237 PolarHBondContact O-N 3.41Å; M1235-C1238 PolarHBondContact O-N 3.23Å; M1235-L1239 VanDerWaalsContact O-CB 3.28Å; M1235-L1239 WeakPolarHBondContact O-CB 3.2Å; M1235-L1239 VanDerWaalsContact O-CG 3.25Å; M1235-L1239 WeakPolarHBondContact O-CG 3.45Å; M1235-L1239 PolarHBondContact O-N 2.66Å
1236K89.8Confident87.8Confident27 Ų2729.3 Ų29.312%0.11715%0.151CC..Hα-helixtrans-61.2-43.7175.3-81.2-179.3170.9-178.30111.6T1232 I1233 L1239 Q1240 E1295 N1297 I1298 D1301T1232-K1236 WeakPolarHBondContact O-CB 3.45Å; T1232-K1236 WeakPolarHBondContact O-CG 3.39Å; T1232-K1236 PolarHBondContact O-N 3.08Å; I1233-K1236 PolarHBondContact O-N 3.11Å; K1236-L1239 PolarHBondContact O-N 3.41Å; K1236-Q1240 WeakPolarHBondContact O-CB 3.38Å; K1236-Q1240 PolarHBondContact O-N 3.47Å; K1236-E1295 WeakPolarHBondContact CE-O 3.2Å; K1236-E1295 PolarHBondContact NZ-O 3.13Å; K1236-E1295 VanDerWaalsContact NZ-O 3.14Å; K1236-N1297 PolarHBondContact NZ-O 2.72Å; K1236-I1298 HydrophobicContact CB-CG2 3.63Å; K1236-I1298 HydrophobicContact CD-CG2 3.66Å; K1236-I1298 HydrophobicContact CG-CG2 4.31Å; K1236-D1301 IonicContact NZ-OD2 2.75Å; K1236-D1301 PolarHBondContact NZ-OD2 3.41Å
1237V89.8Confident87.1Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-65.7-37.4176.7176.40000111.8I1011 M1015 A1019 A1020 I1233 T1234 M1235 Q1240 I1298I1011-V1237 HydrophobicContact CG2-CG2 3.85Å; M1015-V1237 HydrophobicContact CE-CG2 4.18Å; M1015-V1237 HydrophobicContact SD-CG2 3.87Å; A1019-V1237 HydrophobicContact CB-CG1 4.3Å; A1020-V1237 HydrophobicContact CB-CG1 4.01Å; I1233-V1237 WeakPolarHBondContact O-CG2 3.06Å; I1233-V1237 PolarHBondContact O-N 2.8Å; T1234-V1237 PolarHBondContact O-N 3.12Å; M1235-V1237 PolarHBondContact O-N 3.41Å; V1237-Q1240 WeakPolarHBondContact O-CB 3.15Å; V1237-I1298 HydrophobicContact CG2-CD1 4.47Å
1238C88.7Confident86.5Confident59 Ų5932 Ų3240%0.39917%0.165SC..Hα-helixtrans-70.4-40.4174.2-64.20000112.7T1234 M1235 Q1240 I1241 F1242T1234-C1238 WeakPolarHBondContact O-CB 3.39Å; T1234-C1238 PolarHBondContact O-N 3.32Å; T1234-C1238 PolarHBondContact O-SG 3.2Å; M1235-C1238 PolarHBondContact O-N 3.23Å; C1238-Q1240 VanDerWaalsContact C-N 3.3Å; C1238-Q1240 PolarHBondContact O-N 2.86Å; C1238-I1241 PolarHBondContact O-N 2.86Å; C1238-F1242 PolarHBondContact O-N 3.3Å
1239L87.1Confident85.9Confident47 Ų4736.7 Ų36.725%0.24618%0.182CC..Hα-helixtrans-69.2-26.9177.5-74.6171.1000112.6F1187 M1235 K1236 F1242 G1243 I1269F1187-L1239 HydrophobicContact CE2-CD1 4Å; F1187-L1239 HydrophobicContact CZ-CD1 3.96Å; M1235-L1239 VanDerWaalsContact O-CB 3.28Å; M1235-L1239 WeakPolarHBondContact O-CB 3.2Å; M1235-L1239 VanDerWaalsContact O-CG 3.25Å; M1235-L1239 WeakPolarHBondContact O-CG 3.45Å; M1235-L1239 PolarHBondContact O-N 2.66Å; K1236-L1239 PolarHBondContact O-N 3.41Å; L1239-F1242 PolarHBondContact O-N 2.93Å; L1239-G1243 PolarHBondContact O-N 2.97Å; L1239-I1269 HydrophobicContact CD2-CD1 4.27Å; L1239-I1269 HydrophobicContact CD2-CG1 4.47Å
1240Q86Confident85.2Confident6 Ų636.9 Ų36.93%0.02818%0.183CC..Hα-helixtrans-60.8-47.7171.9172.271.3-3.100111.4M1015 K1236 V1237 C1238 F1242 G1243 C1244M1015-Q1240 HydrophobicContact CB-CG 4.45Å; M1015-Q1240 HydrophobicContact CE-CB 4.26Å; M1015-Q1240 HydrophobicContact CE-CG 4.3Å; K1236-Q1240 WeakPolarHBondContact O-CB 3.38Å; K1236-Q1240 PolarHBondContact O-N 3.47Å; V1237-Q1240 WeakPolarHBondContact O-CB 3.15Å; C1238-Q1240 VanDerWaalsContact C-N 3.3Å; C1238-Q1240 PolarHBondContact O-N 2.86Å; Q1240-F1242 PolarHBondContact O-N 3.48Å; Q1240-G1243 PolarHBondContact O-N 3.17Å; Q1240-C1244 PolarHBondContact NE2-SG 3.1Å; Q1240-C1244 VanDerWaalsContact NE2-SG 3.44Å; Q1240-C1244 PolarHBondContact O-N 2.84Å; Q1240-C1244 PolarHBondContact O-SG 3.04Å; Q1240-C1244 VanDerWaalsContact O-SG 3.36Å
1241I79.9Confident84.5Confident45 Ų4540.6 Ų40.623%0.23120%0.203CC..Hα-helixtrans-59.9-38.6175.7-61.5170.6000110.5C1238C1238-I1241 PolarHBondContact O-N 2.86Å
1242F82.6Confident83.6Confident77 Ų7739.7 Ų39.734%0.33820%0.201SC..Hα-helixtrans-69.2-45.2175.7-162.6-102.3000112.6C1238 L1239 Q1240 V1245 F1246 F1250C1238-F1242 PolarHBondContact O-N 3.3Å; L1239-F1242 PolarHBondContact O-N 2.93Å; Q1240-F1242 PolarHBondContact O-N 3.48Å; F1242-V1245 PolarHBondContact O-N 3.48Å; F1242-F1246 HydrophobicContact CD1-CB 4.45Å; F1242-F1246 HydrophobicContact CD2-CB 4.19Å; F1242-F1246 AromaticContact CD2-CD2 3.73Å; F1242-F1246 HydrophobicContact CD2-CD2 3.73Å; F1242-F1246 HydrophobicContact CD2-CE2 4.43Å; F1242-F1246 HydrophobicContact CD2-CG 4.13Å; F1242-F1246 HydrophobicContact CE1-CB 4.22Å; F1242-F1246 HydrophobicContact CE2-CB 3.94Å; F1242-F1246 HydrophobicContact CE2-CD2 4Å; F1242-F1246 AromaticContact CE2-CG 3.96Å; F1242-F1246 HydrophobicContact CE2-CG 3.96Å; F1242-F1246 HydrophobicContact CG-CB 4.44Å; F1242-F1246 HydrophobicContact CG-CD2 4.35Å; F1242-F1246 HydrophobicContact CZ-CB 3.96Å; F1242-F1246 HydrophobicContact CZ-CG 4.45Å; F1242-F1246 WeakPolarHBondContact O-CA 3.24Å; F1242-F1246 WeakPolarHBondContact O-CB 3.32Å; F1242-F1246 PolarHBondContact O-N 2.84Å; F1242-F1250 HydrophobicContact CD1-CE2 4.18Å; F1242-F1250 HydrophobicContact CD1-CZ 4.35Å; F1242-F1250 AromaticContact CE1-CE2 3.74Å; F1242-F1250 HydrophobicContact CE1-CE2 3.74Å; F1242-F1250 AromaticContact CE1-CZ 3.87Å; F1242-F1250 HydrophobicContact CE1-CZ 3.87Å
1243G79Confident82.7Confident1 Ų145.3 Ų45.31%0.0124%0.239CC..Hα-helixtrans-73-28.4-173.500000115.2L1239 Q1240L1239-G1243 PolarHBondContact O-N 2.97Å; Q1240-G1243 PolarHBondContact O-N 3.17Å
1244C82.7Confident81.9Confident2 Ų247.8 Ų47.81%0.01427%0.266CS..Hα-helixtrans-81.6-17176.6-63.50000114.1N1086 L1090 Q1240 C1271N1086-C1244 PolarHBondContact ND2-O 3.39Å; L1090-C1244 HydrophobicContact CD1-CB 3.6Å; Q1240-C1244 PolarHBondContact NE2-SG 3.1Å; Q1240-C1244 VanDerWaalsContact NE2-SG 3.44Å; Q1240-C1244 PolarHBondContact O-N 2.84Å; Q1240-C1244 PolarHBondContact O-SG 3.04Å; Q1240-C1244 VanDerWaalsContact O-SG 3.36Å; C1244-C1271 HydrophobicContact CB-CB 3.9Å; C1244-C1271 WeakPolarHBondContact CB-SG 3.23Å; C1244-C1271 WeakPolarHBondContact SG-CA 3.4Å; C1244-C1271 WeakPolarHBondContact SG-CB 3.48Å; C1244-C1271 CovalentContact SG-SG 2.04Å; C1244-C1271 PolarHBondContact SG-SG 3.4Å
1245V79.7Confident81.3Confident2 Ų248.9 Ų48.91%0.01228%0.284CS..Hα-helixtrans-117.3-41.7-173.4-178.60000112.3N1086 L1087 L1090 F1242N1086-V1245 HydrophobicContact CB-CG2 4.28Å; L1087-V1245 HydrophobicContact CB-CG1 4.23Å; L1087-V1245 HydrophobicContact CB-CG2 4Å; L1087-V1245 HydrophobicContact CD1-CG2 4.32Å; L1090-V1245 HydrophobicContact CD1-CG2 4.19Å; F1242-V1245 PolarHBondContact O-N 3.48Å
1246F79.9Confident80.8Confident62 Ų6254.6 Ų54.627%0.27230%0.302SS..SBendtrans-105.321.2-172.9-58-86.8000113.5Y1079 F1242 S1248 W1249Y1079-F1246 HydrophobicContact CE1-CD1 4.39Å; Y1079-F1246 AromaticContact CE1-CE1 3.77Å; Y1079-F1246 HydrophobicContact CE1-CE1 3.77Å; Y1079-F1246 HydrophobicContact CE1-CZ 4.48Å; Y1079-F1246 AromaticContact CZ-CE1 3.97Å; F1242-F1246 HydrophobicContact CD1-CB 4.45Å; F1242-F1246 HydrophobicContact CD2-CB 4.19Å; F1242-F1246 AromaticContact CD2-CD2 3.73Å; F1242-F1246 HydrophobicContact CD2-CD2 3.73Å; F1242-F1246 HydrophobicContact CD2-CE2 4.43Å; F1242-F1246 HydrophobicContact CD2-CG 4.13Å; F1242-F1246 HydrophobicContact CE1-CB 4.22Å; F1242-F1246 HydrophobicContact CE2-CB 3.94Å; F1242-F1246 HydrophobicContact CE2-CD2 4Å; F1242-F1246 AromaticContact CE2-CG 3.96Å; F1242-F1246 HydrophobicContact CE2-CG 3.96Å; F1242-F1246 HydrophobicContact CG-CB 4.44Å; F1242-F1246 HydrophobicContact CG-CD2 4.35Å; F1242-F1246 HydrophobicContact CZ-CB 3.96Å; F1242-F1246 HydrophobicContact CZ-CG 4.45Å; F1242-F1246 WeakPolarHBondContact O-CA 3.24Å; F1242-F1246 WeakPolarHBondContact O-CB 3.32Å; F1242-F1246 PolarHBondContact O-N 2.84Å; F1246-S1248 PolarHBondContact O-N 3.39Å; F1246-W1249 WeakPolarHBondContact O-CB 3.43Å; F1246-W1249 PolarHBondContact O-N 3.38Å
1247L77.4Confident80.3Confident23 Ų2353.7 Ų53.712%0.1230%0.301CS..G310 helixtrans-57.9-32.6-179.4-161.870.8000112.6W1249 F1250 L1279L1247-W1249 PolarHBondContact O-N 3.11Å; L1247-F1250 PolarHBondContact O-N 3.46Å; L1247-F1250 VanDerWaalsContact O-N 3.14Å; L1247-L1279 HydrophobicContact CB-CD1 3.81Å
1248S77.9Confident79.7Confident70 Ų7061.3 Ų61.349%0.4933%0.334SS..G310 helixtrans-57-25.7175.252.90000114.1F1246 F1250 D1251F1246-S1248 PolarHBondContact O-N 3.39Å; S1248-F1250 PolarHBondContact O-N 3.42Å; S1248-D1251 PolarHBondContact O-N 3.04Å
1249W80.6Confident79.4Confident136 Ų13662 Ų6252%0.51534%0.336SS..G310 helixtrans-69.7-20.9178.9-172.678.6000113.5F1246 L1247 L1260F1246-W1249 WeakPolarHBondContact O-CB 3.43Å; F1246-W1249 PolarHBondContact O-N 3.38Å; L1247-W1249 PolarHBondContact O-N 3.11Å; W1249-L1260 HydrophobicContact CE3-CD2 4.17Å; W1249-L1260 HydrophobicContact CH2-CD2 3.83Å; W1249-L1260 HydrophobicContact CZ3-CD2 3.52Å
1250F79.1Confident79.3Confident4 Ų460.1 Ų60.12%0.01833%0.326CS..G310 helixtrans-84.3-18.1178.8-65.8-87.5000113.7F1242 L1247 S1248 Q1252 L1260 V1263 R1264 I1269 F1285F1242-F1250 HydrophobicContact CD1-CE2 4.18Å; F1242-F1250 HydrophobicContact CD1-CZ 4.35Å; F1242-F1250 AromaticContact CE1-CE2 3.74Å; F1242-F1250 HydrophobicContact CE1-CE2 3.74Å; F1242-F1250 AromaticContact CE1-CZ 3.87Å; F1242-F1250 HydrophobicContact CE1-CZ 3.87Å; L1247-F1250 PolarHBondContact O-N 3.46Å; L1247-F1250 VanDerWaalsContact O-N 3.14Å; S1248-F1250 PolarHBondContact O-N 3.42Å; F1250-Q1252 VanDerWaalsContact C-N 3.27Å; F1250-Q1252 PolarHBondContact O-N 3.18Å; F1250-L1260 HydrophobicContact CD1-CB 4.22Å; F1250-L1260 HydrophobicContact CD1-CD2 4.23Å; F1250-V1263 HydrophobicContact CE1-CG1 4.32Å; F1250-R1264 HydrophobicContact CD1-CB 4.1Å; F1250-R1264 HydrophobicContact CE1-CB 4.41Å; F1250-I1269 HydrophobicContact CE1-CD1 4.16Å; F1250-I1269 HydrophobicContact CE2-CG2 4.15Å; F1250-I1269 HydrophobicContact CZ-CD1 3.66Å; F1250-I1269 HydrophobicContact CZ-CG2 4.28Å; F1250-F1285 HydrophobicContact CB-CE1 3.86Å; F1250-F1285 HydrophobicContact CB-CZ 3.71Å; F1250-F1285 WeakPolarHBondContact O-CZ 3.12Å
1251D77.2Confident79.2Confident85 Ų8560.9 Ų60.946%0.45533%0.332SS..  trans-86.965.1-179.8-167.419.3000111.8S1248 L1282 F1285S1248-D1251 PolarHBondContact O-N 3.04Å; D1251-L1282 HydrophobicContact CB-CD2 3.6Å; D1251-F1285 HydrophobicContact CB-CB 4.29Å; D1251-F1285 HydrophobicContact CB-CD1 4.08Å; D1251-F1285 HydrophobicContact CB-CD2 3.72Å; D1251-F1285 HydrophobicContact CB-CE1 4.34Å; D1251-F1285 HydrophobicContact CB-CE2 4.02Å; D1251-F1285 HydrophobicContact CB-CG 3.76Å; D1251-F1285 HydrophobicContact CB-CZ 4.33Å; D1251-F1285 VanDerWaalsContact CG-CD2 3.5Å; D1251-F1285 WeakPolarHBondContact OD1-CD2 3.36Å
1252Q74.8Confident79.3Confident86 Ų8662.2 Ų62.240%0.40234%0.339SS..  trans-97.4145167.3-62.4-170.7-2.400109.8F1250 G1257 L1260F1250-Q1252 VanDerWaalsContact C-N 3.27Å; F1250-Q1252 PolarHBondContact O-N 3.18Å; Q1252-G1257 WeakPolarHBondContact O-CA 3.42Å; Q1252-L1260 HydrophobicContact CB-CD1 4.03Å; Q1252-L1260 HydrophobicContact CG-CD1 3.87Å
1253S70.2Confident79.5Confident117 Ų11761.3 Ų61.382%0.81834%0.34SS*.  trans-83.3158.4175.559.20000112.5
1254G76.1Confident79.7Confident55 Ų5561.6 Ų61.657%0.56734%0.34SS*.Hα-helixtrans83.5-154.7175.500000115.4G1257 K1258G1254-G1257 PolarHBondContact O-N 3.5Å; G1254-K1258 PolarHBondContact O-N 3.43Å
1255G77.8Confident79.7Confident58 Ų5862.4 Ų62.460%0.59834%0.344SS*.Hα-helixtrans-64.6-40.8-173.100000113.7G1257 K1258 T1259G1255-G1257 VanDerWaalsContact C-N 3.33Å; G1255-G1257 PolarHBondContact O-N 3.06Å; G1255-K1258 PolarHBondContact O-N 3.23Å; G1255-T1259 PolarHBondContact O-N 2.86Å; G1255-T1259 PolarHBondContact O-OG1 3.29Å
1256W80.1Confident80Confident185 Ų18564.6 Ų64.670%0.70136%0.355SS*.Hα-helixtrans-63.2-38.6174.6-91.982.3000112K1258 T1259 L1260W1256-K1258 PolarHBondContact O-N 3.01Å; W1256-T1259 WeakPolarHBondContact CA-OG1 3.34Å; W1256-T1259 PolarHBondContact O-N 2.87Å; W1256-T1259 VanDerWaalsContact O-N 3.15Å; W1256-T1259 PolarHBondContact O-OG1 2.8Å; W1256-L1260 WeakPolarHBondContact O-CB 3.33Å; W1256-L1260 WeakPolarHBondContact O-CG 3.24Å; W1256-L1260 PolarHBondContact O-N 3.13Å
1257G78.9Confident80.2Confident8 Ų865 Ų658%0.08236%0.357CS..Hα-helixtrans-54.2-46.4170.600000113.9Q1252 G1254 G1255 T1259 L1260 C1261Q1252-G1257 WeakPolarHBondContact O-CA 3.42Å; G1254-G1257 PolarHBondContact O-N 3.5Å; G1255-G1257 VanDerWaalsContact C-N 3.33Å; G1255-G1257 PolarHBondContact O-N 3.06Å; G1257-T1259 PolarHBondContact O-N 3.3Å; G1257-L1260 PolarHBondContact O-N 3.49Å; G1257-C1261 WeakPolarHBondContact O-CB 3.17Å; G1257-C1261 PolarHBondContact O-N 3.44Å
1258K77.9Confident80.4Confident160 Ų16064.4 Ų64.470%0.69636%0.355SS*.Hα-helixtrans-62.6-41.4175.7-68.3-170.3177.1-1740112G1254 G1255 W1256 I1262G1254-K1258 PolarHBondContact O-N 3.43Å; G1255-K1258 PolarHBondContact O-N 3.23Å; W1256-K1258 PolarHBondContact O-N 3.01Å; K1258-I1262 WeakPolarHBondContact O-CD1 3.39Å; K1258-I1262 VanDerWaalsContact O-CG1 3.26Å; K1258-I1262 WeakPolarHBondContact O-CG1 3.48Å; K1258-I1262 PolarHBondContact O-N 3.22Å
1259T83.2Confident80.8Confident72 Ų7261.5 Ų61.544%0.44233%0.333SS..Hα-helixtrans-67.7-36.617548.20000113G1255 W1256 G1257 I1262 V1263G1255-T1259 PolarHBondContact O-N 2.86Å; G1255-T1259 PolarHBondContact O-OG1 3.29Å; W1256-T1259 WeakPolarHBondContact CA-OG1 3.34Å; W1256-T1259 PolarHBondContact O-N 2.87Å; W1256-T1259 VanDerWaalsContact O-N 3.15Å; W1256-T1259 PolarHBondContact O-OG1 2.8Å; G1257-T1259 PolarHBondContact O-N 3.3Å; T1259-I1262 PolarHBondContact O-N 3.34Å; T1259-V1263 WeakPolarHBondContact O-CG2 3.48Å; T1259-V1263 PolarHBondContact O-N 3.27Å
1260L84.2Confident80.8Confident9 Ų956.1 Ų56.15%0.04732%0.316CS..Hα-helixtrans-68.2-39.1176.3-74.5169.4000111.7W1249 F1250 Q1252 W1256 G1257 V1263 R1264W1249-L1260 HydrophobicContact CE3-CD2 4.17Å; W1249-L1260 HydrophobicContact CH2-CD2 3.83Å; W1249-L1260 HydrophobicContact CZ3-CD2 3.52Å; F1250-L1260 HydrophobicContact CD1-CB 4.22Å; F1250-L1260 HydrophobicContact CD1-CD2 4.23Å; Q1252-L1260 HydrophobicContact CB-CD1 4.03Å; Q1252-L1260 HydrophobicContact CG-CD1 3.87Å; W1256-L1260 WeakPolarHBondContact O-CB 3.33Å; W1256-L1260 WeakPolarHBondContact O-CG 3.24Å; W1256-L1260 PolarHBondContact O-N 3.13Å; G1257-L1260 PolarHBondContact O-N 3.49Å; L1260-V1263 PolarHBondContact O-N 3.05Å; L1260-R1264 WeakPolarHBondContact O-CB 3.36Å; L1260-R1264 PolarHBondContact O-N 3.08Å
1261C83.1Confident81Confident22 Ų2257.9 Ų57.915%0.14933%0.328CS..Hα-helixtrans-62.8-43.8170.9177.10000112G1257 V1263 R1264 Q1265 C1289G1257-C1261 WeakPolarHBondContact O-CB 3.17Å; G1257-C1261 PolarHBondContact O-N 3.44Å; C1261-V1263 VanDerWaalsContact C-N 3.33Å; C1261-V1263 PolarHBondContact O-N 2.72Å; C1261-R1264 WeakPolarHBondContact O-CB 3.35Å; C1261-R1264 PolarHBondContact O-N 2.84Å; C1261-Q1265 WeakPolarHBondContact O-CG 3.28Å; C1261-Q1265 PolarHBondContact O-N 3.09Å; C1261-C1289 WeakPolarHBondContact CA-SG 3.5Å; C1261-C1289 HydrophobicContact CB-CB 3.99Å; C1261-C1289 WeakPolarHBondContact CB-SG 3.46Å; C1261-C1289 WeakPolarHBondContact SG-CB 3.22Å; C1261-C1289 CovalentContact SG-SG 2.04Å; C1261-C1289 PolarHBondContact SG-SG 2.98Å
1262I83.1Confident81.2Confident73 Ų7355.1 Ų55.137%0.37431%0.314SS..Hα-helixtrans-60.5-42.2174.5-69.5163.3000110.7K1258 T1259 Q1265 L1266 F1676K1258-I1262 WeakPolarHBondContact O-CD1 3.39Å; K1258-I1262 VanDerWaalsContact O-CG1 3.26Å; K1258-I1262 WeakPolarHBondContact O-CG1 3.48Å; K1258-I1262 PolarHBondContact O-N 3.22Å; T1259-I1262 PolarHBondContact O-N 3.34Å; I1262-Q1265 PolarHBondContact O-N 3.36Å; I1262-L1266 WeakPolarHBondContact O-CB 3.35Å; I1262-L1266 PolarHBondContact O-N 2.98Å; I1262-F1676 HydrophobicContact CG1-CB 4.23Å
1263V85.8Confident81.5Confident58 Ų5851.9 Ų51.935%0.35230%0.3SS..Hα-helixtrans-62.5-44.9174.7167.80000111.5F1250 T1259 L1260 C1261 Q1265 L1266 F1267F1250-V1263 HydrophobicContact CE1-CG1 4.32Å; T1259-V1263 WeakPolarHBondContact O-CG2 3.48Å; T1259-V1263 PolarHBondContact O-N 3.27Å; L1260-V1263 PolarHBondContact O-N 3.05Å; C1261-V1263 VanDerWaalsContact C-N 3.33Å; C1261-V1263 PolarHBondContact O-N 2.72Å; V1263-Q1265 VanDerWaalsContact C-N 3.31Å; V1263-Q1265 PolarHBondContact O-N 3.3Å; V1263-L1266 PolarHBondContact O-N 3.09Å; V1263-F1267 HydrophobicContact CG1-CD2 4.06Å; V1263-F1267 HydrophobicContact CG1-CE2 4.4Å; V1263-F1267 PolarHBondContact O-N 3.34Å; V1263-F1267 VanDerWaalsContact O-N 3.13Å
1264R84.5Confident81.9Confident7 Ų753.6 Ų53.63%0.02630%0.3CS..Hα-helixtrans-58.3-42.1176.1-177-177.1164.5-144.6-18.3111.6F1250 L1260 C1261 S1268 I1269 C1289 V1291F1250-R1264 HydrophobicContact CD1-CB 4.1Å; F1250-R1264 HydrophobicContact CE1-CB 4.41Å; L1260-R1264 WeakPolarHBondContact O-CB 3.36Å; L1260-R1264 PolarHBondContact O-N 3.08Å; C1261-R1264 WeakPolarHBondContact O-CB 3.35Å; C1261-R1264 PolarHBondContact O-N 2.84Å; R1264-S1268 CarbonylContact O-C 3.59Å; R1264-S1268 VanDerWaalsContact O-CA 3.3Å; R1264-S1268 WeakPolarHBondContact O-CA 3.25Å; R1264-S1268 PolarHBondContact O-N 2.83Å; R1264-S1268 VanDerWaalsContact O-N 3.09Å; R1264-I1269 HydrophobicContact CG-CB 4.2Å; R1264-I1269 WeakPolarHBondContact CG-O 3.3Å; R1264-I1269 PolarHBondContact NE-O 3.01Å; R1264-I1269 PolarHBondContact O-N 3.05Å; R1264-C1289 PolarHBondContact NH1-O 3.34Å; R1264-C1289 PolarHBondContact NH2-O 2.89Å; R1264-V1291 HydrophobicContact CG-CG2 4.17Å
1265Q82.4Confident82Confident19 Ų1955.3 Ų55.39%0.08929%0.293CS..Hα-helixtrans-72.2-42.6176.1-73.1177.5-19.600112.8C1261 I1262 V1263 F1267 S1268 A1290 V1291C1261-Q1265 WeakPolarHBondContact O-CG 3.28Å; C1261-Q1265 PolarHBondContact O-N 3.09Å; I1262-Q1265 PolarHBondContact O-N 3.36Å; V1263-Q1265 VanDerWaalsContact C-N 3.31Å; V1263-Q1265 PolarHBondContact O-N 3.3Å; Q1265-F1267 VanDerWaalsContact C-N 3.34Å; Q1265-F1267 PolarHBondContact O-N 2.8Å; Q1265-S1268 PolarHBondContact O-N 3.25Å; Q1265-A1290 PolarHBondContact NE2-O 2.73Å; Q1265-V1291 HydrophobicContact CG-CG2 3.91Å
1266L85Confident82.2Confident48 Ų4853.1 Ų53.125%0.25127%0.268SS..Hα-helixtrans-62.4-38.4-177.5-16782.9000112.8L1186 I1262 V1263 F1674L1186-L1266 HydrophobicContact CB-CG 4.21Å; L1186-L1266 HydrophobicContact CD2-CD2 4.21Å; L1186-L1266 PolarHBondContact N-O 3.03Å; I1262-L1266 WeakPolarHBondContact O-CB 3.35Å; I1262-L1266 PolarHBondContact O-N 2.98Å; V1263-L1266 PolarHBondContact O-N 3.09Å; L1266-F1674 HydrophobicContact CD1-CE1 4.25Å; L1266-F1674 HydrophobicContact CD1-CZ 4.23Å
1267F85.3Confident82.1Confident71 Ų7148.3 Ų48.331%0.31125%0.253SS..THydrogen-bonded Turntrans-97.4-1.6177.3-69.5-74.6000113.9L1186 F1187 V1263 Q1265 I1269L1186-F1267 HydrophobicContact CD2-CE1 3.85Å; L1186-F1267 HydrophobicContact CD2-CZ 4.05Å; F1187-F1267 HydrophobicContact CE2-CD1 4.01Å; F1187-F1267 AromaticContact CZ-CD1 3.87Å; F1187-F1267 HydrophobicContact CZ-CD1 3.87Å; F1187-F1267 HydrophobicContact CZ-CE1 4.4Å; V1263-F1267 HydrophobicContact CG1-CD2 4.06Å; V1263-F1267 HydrophobicContact CG1-CE2 4.4Å; V1263-F1267 PolarHBondContact O-N 3.34Å; V1263-F1267 VanDerWaalsContact O-N 3.13Å; Q1265-F1267 VanDerWaalsContact C-N 3.34Å; Q1265-F1267 PolarHBondContact O-N 2.8Å; F1267-I1269 HydrophobicContact CB-CD1 4.16Å; F1267-I1269 HydrophobicContact CB-CG1 3.91Å
1268S82.5Confident81.8Confident9 Ų953.3 Ų53.36%0.06328%0.282CS..THydrogen-bonded Turntrans50.752.5-172.5179.80000113.8R1264 Q1265 T1270 V1291 E1295R1264-S1268 CarbonylContact O-C 3.59Å; R1264-S1268 VanDerWaalsContact O-CA 3.3Å; R1264-S1268 WeakPolarHBondContact O-CA 3.25Å; R1264-S1268 PolarHBondContact O-N 2.83Å; R1264-S1268 VanDerWaalsContact O-N 3.09Å; Q1265-S1268 PolarHBondContact O-N 3.25Å; S1268-T1270 PolarHBondContact O-N 2.88Å; S1268-V1291 WeakPolarHBondContact OG-CG1 3.47Å; S1268-E1295 WeakPolarHBondContact OG-CB 3.47Å
1269I84.4Confident81.7Confident9 Ų946.4 Ų46.45%0.04625%0.252CS..  trans-77.9108.4178.8-57.6173.7000109.4L1239 F1250 R1264 F1267L1239-I1269 HydrophobicContact CD2-CD1 4.27Å; L1239-I1269 HydrophobicContact CD2-CG1 4.47Å; F1250-I1269 HydrophobicContact CE1-CD1 4.16Å; F1250-I1269 HydrophobicContact CE2-CG2 4.15Å; F1250-I1269 HydrophobicContact CZ-CD1 3.66Å; F1250-I1269 HydrophobicContact CZ-CG2 4.28Å; R1264-I1269 HydrophobicContact CG-CB 4.2Å; R1264-I1269 WeakPolarHBondContact CG-O 3.3Å; R1264-I1269 PolarHBondContact NE-O 3.01Å; R1264-I1269 PolarHBondContact O-N 3.05Å; F1267-I1269 HydrophobicContact CB-CD1 4.16Å; F1267-I1269 HydrophobicContact CB-CG1 3.91Å
1270T80.9Confident81Confident24 Ų2450.5 Ų50.515%0.14726%0.264CS..  trans-157154.4177.6-170.80000109.5S1268 V1291 T1293S1268-T1270 PolarHBondContact O-N 2.88Å; T1270-V1291 HydrophobicContact CG2-CG1 4.32Å; T1270-T1293 HydrophobicContact CG2-CG2 4.35Å
1271C82.9Confident80.1Confident40 Ų4057.8 Ų57.827%0.2730%0.298SS..  trans-80.1124177.5-168.10000110.9C1244C1244-C1271 HydrophobicContact CB-CB 3.9Å; C1244-C1271 WeakPolarHBondContact CB-SG 3.23Å; C1244-C1271 WeakPolarHBondContact SG-CA 3.4Å; C1244-C1271 WeakPolarHBondContact SG-CB 3.48Å; C1244-C1271 CovalentContact SG-SG 2.04Å; C1244-C1271 PolarHBondContact SG-SG 3.4Å
1272V82.3Confident79.6Confident27 Ų2757.2 Ų57.216%0.16429%0.293CS..  trans-98.4-14.7-178.1174.20000113.6N1297V1272-N1297 VanDerWaalsContact CG1-OD1 3.3Å; V1272-N1297 WeakPolarHBondContact CG1-OD1 3.46Å
1273N80.3Confident79.1Confident19 Ų1958.5 Ų58.510%0.10230%0.298CS..  trans-91.4116.5-173.3-170.6-18.9000109.7E1275 C1276N1273-E1275 PolarHBondContact O-N 2.88Å; N1273-E1275 PolarHBondContact OD1-N 2.88Å; N1273-C1276 WeakPolarHBondContact O-CB 3.41Å; N1273-C1276 PolarHBondContact O-N 3.35Å; N1273-C1276 VanDerWaalsContact O-N 3.13Å
1274N79.1Confident78.4Confident152 Ų15261.1 Ų61.181%0.81331%0.31SS*.THydrogen-bonded Turntrans-60.3-25.8-175.7-63.4-17.1000113.9C1276N1274-C1276 VanDerWaalsContact C-N 3.29Å
1275E78.6Confident78.1Confident92 Ų9261.9 Ų61.943%0.4331%0.313SS..THydrogen-bonded Turntrans-83.5-5.5-177.7-52-60.6149.300112.4Y1089 N1273Y1089-E1275 HydrophobicContact CE1-CB 3.84Å; Y1089-E1275 HydrophobicContact CE2-CB 3.85Å; Y1089-E1275 VanDerWaalsContact CZ-CB 3.45Å; Y1089-E1275 WeakPolarHBondContact OH-CB 3.49Å; Y1089-E1275 WeakPolarHBondContact OH-CG 3.28Å; N1273-E1275 PolarHBondContact O-N 2.88Å; N1273-E1275 PolarHBondContact OD1-N 2.88Å
1276C81Confident77.5Confident11 Ų1163 Ų637%0.07432%0.324CS..SBendtrans-84.5133.9171.2-67.80000110.8N1086 N1273 N1274N1086-C1276 WeakPolarHBondContact OD1-CA 3.12Å; N1086-C1276 WeakPolarHBondContact OD1-CB 3.49Å; N1273-C1276 WeakPolarHBondContact O-CB 3.41Å; N1273-C1276 PolarHBondContact O-N 3.35Å; N1273-C1276 VanDerWaalsContact O-N 3.13Å; N1274-C1276 VanDerWaalsContact C-N 3.29Å
1277H79.8Confident76.9Confident84 Ų8465.9 Ų65.939%0.38933%0.334SS..PPolyproline II helixtrans-61.9135.9174.2-75.9-160.6000111.5D1082 F1085 N1086 L1279D1082-H1277 HydrophobicContact CB-CB 3.99Å; D1082-H1277 IonicContact OD1-CE1 3.44Å; D1082-H1277 IonicContact OD1-CG 2.66Å; D1082-H1277 IonicContact OD1-ND1 2.61Å; D1082-H1277 PolarHBondContact OD1-ND1 3.4Å; F1085-H1277 HydrophobicContact CD1-CB 4.47Å; F1085-H1277 AromaticContact CD1-CD2 3.62Å; F1085-H1277 AromaticContact CD1-CG 3.86Å; F1085-H1277 AromaticContact CD1-NE2 3.89Å; F1085-H1277 AromaticContact CE1-CD2 3.47Å; F1085-H1277 VanDerWaalsContact CE1-CD2 3.47Å; F1085-H1277 WeakPolarHBondContact CE1-CD2 3.37Å; F1085-H1277 AromaticContact CE1-NE2 3.62Å; F1085-H1277 AromaticContact CZ-NE2 3.82Å; N1086-H1277 PolarHBondContact ND2-O 2.9Å; N1086-H1277 PolarHBondContact OD1-N 2.92Å; H1277-L1279 PolarHBondContact O-N 3.12Å
1278V71.6Confident76.3Confident113 Ų11366.7 Ų66.769%0.68535%0.354SS*.PPolyproline II helixtrans-74121.6170.4-178.80000108.9K1280V1278-K1280 PolarHBondContact O-N 3.29Å
1279L75.7Confident76.1Confident15 Ų1566.3 Ų66.38%0.07935%0.352CS..  trans-63.494.8177.3-67.4163.5000110.4D1082 A1083 L1247 H1277 E1281 L1282D1082-L1279 HydrophobicContact CB-CD2 4.02Å; A1083-L1279 HydrophobicContact CB-CD2 4.04Å; L1247-L1279 HydrophobicContact CB-CD1 3.81Å; H1277-L1279 PolarHBondContact O-N 3.12Å; L1279-E1281 VanDerWaalsContact C-N 3.25Å; L1279-E1281 PolarHBondContact O-N 3.45Å; L1279-L1282 HydrophobicContact CB-CD1 4Å; L1279-L1282 HydrophobicContact CD1-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 3.03Å
1280K68.3Low75.7Confident158 Ų15868 Ų6869%0.68737%0.367SS*.G310 helixtrans-56-36.4-171-67.5170.7-175.2153.90113.7V1278 L1282 E1283V1278-K1280 PolarHBondContact O-N 3.29Å; K1280-L1282 PolarHBondContact O-N 3.34Å; K1280-L1282 VanDerWaalsContact O-N 3.12Å; K1280-E1283 PolarHBondContact O-N 3.28Å
1281E64.8Low75.4Confident162 Ų16268.3 Ų68.376%0.75737%0.369SS*.G310 helixtrans-58.7-22.9177.7-60.5178.4148.800113L1279L1279-E1281 VanDerWaalsContact C-N 3.25Å; L1279-E1281 PolarHBondContact O-N 3.45Å
1282L72.8Confident75Confident10 Ų1069.5 Ų69.55%0.05237%0.37CS..G310 helixtrans-106.911.9-176.7-73.4119.4000114.1D1251 L1279 K1280 D1284 F1285 S1286D1251-L1282 HydrophobicContact CB-CD2 3.6Å; L1279-L1282 HydrophobicContact CB-CD1 4Å; L1279-L1282 HydrophobicContact CD1-CD1 4.39Å; L1279-L1282 PolarHBondContact O-N 3.03Å; K1280-L1282 PolarHBondContact O-N 3.34Å; K1280-L1282 VanDerWaalsContact O-N 3.12Å; L1282-D1284 VanDerWaalsContact C-N 3.31Å; L1282-D1284 PolarHBondContact O-N 2.83Å; L1282-F1285 HydrophobicContact CB-CB 4.45Å; L1282-F1285 HydrophobicContact CD2-CB 4.13Å; L1282-F1285 HydrophobicContact CD2-CD1 3.67Å; L1282-F1285 HydrophobicContact CD2-CE1 4.43Å; L1282-F1285 HydrophobicContact CD2-CG 4.12Å; L1282-F1285 PolarHBondContact O-N 2.88Å; L1282-S1286 WeakPolarHBondContact O-CB 3.32Å; L1282-S1286 PolarHBondContact O-N 2.79Å
1283E72.3Confident74.5Confident100 Ų10072.2 Ų72.247%0.46739%0.387SS..Hα-helixtrans-61.3-40.6-179.7-155-163.8115.600111.7K1280 S1286 K1287K1280-E1283 PolarHBondContact O-N 3.28Å; E1283-S1286 WeakPolarHBondContact O-CB 3.29Å; E1283-S1286 PolarHBondContact O-N 2.94Å; E1283-S1286 PolarHBondContact O-OG 2.98Å; E1283-K1287 WeakPolarHBondContact O-CG 3.21Å; E1283-K1287 PolarHBondContact O-N 2.94Å; E1283-K1287 VanDerWaalsContact O-N 3.15Å; E1283-K1287 WeakPolarHBondContact OE1-CE 3.39Å; E1283-K1287 IonicContact OE1-NZ 2.76Å; E1283-K1287 PolarHBondContact OE1-NZ 2.95Å
1284D72.7Confident74.3Confident114 Ų11476.6 Ų76.661%0.6141%0.405SS*.Hα-helixtrans-74.9-33.9177.7-71.4-17.2000113.1L1282 S1286 K1287 A1288L1282-D1284 VanDerWaalsContact C-N 3.31Å; L1282-D1284 PolarHBondContact O-N 2.83Å; D1284-S1286 PolarHBondContact O-N 3.43Å; D1284-K1287 PolarHBondContact O-N 3.16Å; D1284-K1287 IonicContact OD1-NZ 3.19Å; D1284-K1287 PolarHBondContact OD1-NZ 3.17Å; D1284-A1288 WeakPolarHBondContact O-CB 3.21Å; D1284-A1288 PolarHBondContact O-N 3.49Å
1285F76.7Confident74.1Confident22 Ų2270.1 Ų70.110%0.09637%0.37CS..Hα-helixtrans-62.4-33.7167.3177.3-107000111.7F1250 D1251 L1282 C1289F1250-F1285 HydrophobicContact CB-CE1 3.86Å; F1250-F1285 HydrophobicContact CB-CZ 3.71Å; F1250-F1285 WeakPolarHBondContact O-CZ 3.12Å; D1251-F1285 HydrophobicContact CB-CB 4.29Å; D1251-F1285 HydrophobicContact CB-CD1 4.08Å; D1251-F1285 HydrophobicContact CB-CD2 3.72Å; D1251-F1285 HydrophobicContact CB-CE1 4.34Å; D1251-F1285 HydrophobicContact CB-CE2 4.02Å; D1251-F1285 HydrophobicContact CB-CG 3.76Å; D1251-F1285 HydrophobicContact CB-CZ 4.33Å; D1251-F1285 VanDerWaalsContact CG-CD2 3.5Å; D1251-F1285 WeakPolarHBondContact OD1-CD2 3.36Å; L1282-F1285 HydrophobicContact CB-CB 4.45Å; L1282-F1285 HydrophobicContact CD2-CB 4.13Å; L1282-F1285 HydrophobicContact CD2-CD1 3.67Å; L1282-F1285 HydrophobicContact CD2-CE1 4.43Å; L1282-F1285 HydrophobicContact CD2-CG 4.12Å; L1282-F1285 PolarHBondContact O-N 2.88Å; F1285-C1289 HydrophobicContact CE2-CB 4.16Å; F1285-C1289 HydrophobicContact CZ-CB 4.2Å; F1285-C1289 WeakPolarHBondContact O-CB 3.48Å; F1285-C1289 PolarHBondContact O-N 3.27Å
1286S70.3Confident74Confident44 Ų4466.2 Ų66.231%0.30836%0.355SS..Hα-helixtrans-67.6-35175.888.20000112.4L1282 E1283 D1284 C1289 A1290L1282-S1286 WeakPolarHBondContact O-CB 3.32Å; L1282-S1286 PolarHBondContact O-N 2.79Å; E1283-S1286 WeakPolarHBondContact O-CB 3.29Å; E1283-S1286 PolarHBondContact O-N 2.94Å; E1283-S1286 PolarHBondContact O-OG 2.98Å; D1284-S1286 PolarHBondContact O-N 3.43Å; S1286-C1289 CarbonylContact O-C 3.54Å; S1286-A1290 WeakPolarHBondContact O-CA 3.34Å; S1286-A1290 PolarHBondContact O-N 3.05Å
1287K72.8Confident74.1Confident107 Ų10768.9 Ų68.947%0.46537%0.368SS..Hα-helixtrans-73.2-41.9174-63.5164.1-160.3157.50112.2E1283 D1284E1283-K1287 WeakPolarHBondContact O-CG 3.21Å; E1283-K1287 PolarHBondContact O-N 2.94Å; E1283-K1287 VanDerWaalsContact O-N 3.15Å; E1283-K1287 WeakPolarHBondContact OE1-CE 3.39Å; E1283-K1287 IonicContact OE1-NZ 2.76Å; E1283-K1287 PolarHBondContact OE1-NZ 2.95Å; D1284-K1287 PolarHBondContact O-N 3.16Å; D1284-K1287 IonicContact OD1-NZ 3.19Å; D1284-K1287 PolarHBondContact OD1-NZ 3.17Å
1288A72.9Confident74.5Confident88 Ų8864.9 Ų64.973%0.72735%0.349SS*.Hα-helixtrans-69-36.8178.600000112.8D1284D1284-A1288 WeakPolarHBondContact O-CB 3.21Å; D1284-A1288 PolarHBondContact O-N 3.49Å
1289C78.9Confident75.3Confident2 Ų260.4 Ų60.41%0.01433%0.326CS..THydrogen-bonded Turntrans-11967.6178.2-169.50000110.6C1261 R1264 F1285 S1286C1261-C1289 WeakPolarHBondContact CA-SG 3.5Å; C1261-C1289 HydrophobicContact CB-CB 3.99Å; C1261-C1289 WeakPolarHBondContact CB-SG 3.46Å; C1261-C1289 WeakPolarHBondContact SG-CB 3.22Å; C1261-C1289 CovalentContact SG-SG 2.04Å; C1261-C1289 PolarHBondContact SG-SG 2.98Å; R1264-C1289 PolarHBondContact NH1-O 3.34Å; R1264-C1289 PolarHBondContact NH2-O 2.89Å; F1285-C1289 HydrophobicContact CE2-CB 4.16Å; F1285-C1289 HydrophobicContact CZ-CB 4.2Å; F1285-C1289 WeakPolarHBondContact O-CB 3.48Å; F1285-C1289 PolarHBondContact O-N 3.27Å; S1286-C1289 CarbonylContact O-C 3.54Å
1290A75.4Confident75.8Confident44 Ų4465.2 Ų65.236%0.36435%0.347SS..  trans-66.1145.1-177.900000113Q1265 S1286Q1265-A1290 PolarHBondContact NE2-O 2.73Å; S1286-A1290 WeakPolarHBondContact O-CA 3.34Å; S1286-A1290 PolarHBondContact O-N 3.05Å
1291V74.8Confident76.9Confident31 Ų3157.9 Ų57.919%0.18832%0.315CS..  trans-143.1137176.9177.60000108.1R1264 Q1265 S1268 T1270 T1293R1264-V1291 HydrophobicContact CG-CG2 4.17Å; Q1265-V1291 HydrophobicContact CG-CG2 3.91Å; S1268-V1291 WeakPolarHBondContact OG-CG1 3.47Å; T1270-V1291 HydrophobicContact CG2-CG1 4.32Å; V1291-T1293 PolarHBondContact O-N 2.97Å
1292E73.5Confident78.1Confident65 Ų6550.6 Ų50.630%0.30428%0.282SS..  trans-78116.9177.3-72.5-165.6-137.500111.7K1294 E1295 Q1703E1292-K1294 PolarHBondContact O-N 3.34Å; E1292-K1294 IonicContact OE2-NZ 3.72Å; E1292-K1294 PolarHBondContact OE2-NZ 3.41Å; E1292-E1295 HydrophobicContact CB-CG 4.43Å; E1292-E1295 PolarHBondContact O-N 3.02Å; E1292-E1295 VanDerWaalsContact O-N 3.1Å; E1292-Q1703 PolarHBondContact OE1-NE2 2.82Å
1293T72.8Confident79Confident84 Ų8454.1 Ų54.152%0.51530%0.299SS..THydrogen-bonded Turntrans-59.3-21.5-179.653.50000114.2T1270 V1291 E1295 N1297T1270-T1293 HydrophobicContact CG2-CG2 4.35Å; V1291-T1293 PolarHBondContact O-N 2.97Å; T1293-E1295 PolarHBondContact O-N 3.15Å; T1293-N1297 PolarHBondContact O-ND2 3.11Å
1294K76.4Confident79.9Confident110 Ų11049.4 Ų49.448%0.47828%0.278SS..THydrogen-bonded Turntrans-54.7-37.3174.1-61.8175.1-163.8143.70112.1E1292 N1297 D1705E1292-K1294 PolarHBondContact O-N 3.34Å; E1292-K1294 IonicContact OE2-NZ 3.72Å; E1292-K1294 PolarHBondContact OE2-NZ 3.41Å; K1294-N1297 WeakPolarHBondContact O-CB 3.42Å; K1294-N1297 PolarHBondContact O-N 3.21Å; K1294-N1297 PolarHBondContact O-ND2 2.76Å; K1294-N1297 VanDerWaalsContact O-ND2 3.16Å; K1294-D1705 IonicContact NZ-OD2 2.8Å; K1294-D1705 PolarHBondContact NZ-OD2 2.76Å
1295E74.5Confident80.9Confident16 Ų1644.2 Ų44.28%0.07525%0.25CC..THydrogen-bonded Turntrans-75.2-29.7-170.1-62.7-159.5-16300114.4T1184 S1185 K1236 S1268 E1292 T1293 N1297T1184-E1295 WeakPolarHBondContact CB-OE1 3.17Å; T1184-E1295 PolarHBondContact N-OE1 3.45Å; T1184-E1295 PolarHBondContact N-OE2 2.94Å; T1184-E1295 PolarHBondContact OG1-OE1 3.29Å; S1185-E1295 WeakPolarHBondContact CB-OE2 3.4Å; S1185-E1295 PolarHBondContact N-OE2 3.21Å; K1236-E1295 WeakPolarHBondContact CE-O 3.2Å; K1236-E1295 PolarHBondContact NZ-O 3.13Å; K1236-E1295 VanDerWaalsContact NZ-O 3.14Å; S1268-E1295 WeakPolarHBondContact OG-CB 3.47Å; E1292-E1295 HydrophobicContact CB-CG 4.43Å; E1292-E1295 PolarHBondContact O-N 3.02Å; E1292-E1295 VanDerWaalsContact O-N 3.1Å; T1293-E1295 PolarHBondContact O-N 3.15Å; E1295-N1297 PolarHBondContact O-N 3.3Å
1296G75.9Confident81.6Confident11 Ų1144.2 Ų44.211%0.11325%0.253CS..THydrogen-bonded Turntrans-67.5-21.4175.600000113.4
1297N83.5Confident82.6Confident66 Ų6646.2 Ų46.235%0.35326%0.256SS..  trans-63.5141.3177.3-69.9-67000112K1236 V1272 T1293 K1294 E1295K1236-N1297 PolarHBondContact NZ-O 2.72Å; V1272-N1297 VanDerWaalsContact CG1-OD1 3.3Å; V1272-N1297 WeakPolarHBondContact CG1-OD1 3.46Å; T1293-N1297 PolarHBondContact O-ND2 3.11Å; K1294-N1297 WeakPolarHBondContact O-CB 3.42Å; K1294-N1297 PolarHBondContact O-N 3.21Å; K1294-N1297 PolarHBondContact O-ND2 2.76Å; K1294-N1297 VanDerWaalsContact O-ND2 3.16Å; E1295-N1297 PolarHBondContact O-N 3.3Å
1298I88.9Confident83.6Confident0 Ų041.1 Ų41.10%023%0.234CC..  trans-931.2175.669.1164.1000113.9I1011 F1012 M1015 I1233 K1236 V1237 F1300 D1301 V1302I1011-I1298 HydrophobicContact CG2-CD1 3.71Å; F1012-I1298 HydrophobicContact CB-CD1 3.93Å; F1012-I1298 HydrophobicContact CB-CG1 3.86Å; F1012-I1298 HydrophobicContact CD2-CG1 3.73Å; F1012-I1298 HydrophobicContact CG-CG1 4.24Å; M1015-I1298 HydrophobicContact CE-CG2 4.13Å; M1015-I1298 HydrophobicContact SD-CD1 3.97Å; M1015-I1298 HydrophobicContact SD-CG1 3.95Å; M1015-I1298 HydrophobicContact SD-CG2 4.21Å; I1233-I1298 HydrophobicContact CG2-CD1 4.03Å; K1236-I1298 HydrophobicContact CB-CG2 3.63Å; K1236-I1298 HydrophobicContact CD-CG2 3.66Å; K1236-I1298 HydrophobicContact CG-CG2 4.31Å; V1237-I1298 HydrophobicContact CG2-CD1 4.47Å; I1298-F1300 PolarHBondContact O-N 3.05Å; I1298-D1301 WeakPolarHBondContact O-CA 3.47Å; I1298-D1301 WeakPolarHBondContact O-CB 3.33Å; I1298-D1301 PolarHBondContact O-N 3.11Å; I1298-V1302 HydrophobicContact CD1-CG2 3.9Å; I1298-V1302 HydrophobicContact CG1-CG2 4.13Å; I1298-V1302 PolarHBondContact O-N 3.11Å
1299G86.7Confident84.4Confident19 Ų1937.7 Ų37.720%0.19620%0.204CC..Hα-helixtrans-56.3-42.6-170.200000114.5V1302 I1303G1299-V1302 PolarHBondContact O-N 3.07Å; G1299-I1303 WeakPolarHBondContact O-CG1 3.27Å; G1299-I1303 PolarHBondContact O-N 2.71Å; G1299-I1303 VanDerWaalsContact O-N 3.16Å
1300F87.8Confident84.9Confident116 Ų11641.5 Ų41.551%0.50922%0.22SC..Hα-helixtrans-70.3-32.9175.3-73.6-74.4000113A1179 A1182 I1298 I1303 A1304A1179-F1300 HydrophobicContact CB-CB 4.14Å; A1182-F1300 HydrophobicContact CB-CD1 4.45Å; A1182-F1300 HydrophobicContact CB-CD2 3.54Å; A1182-F1300 HydrophobicContact CB-CE2 3.62Å; A1182-F1300 HydrophobicContact CB-CG 3.98Å; A1182-F1300 HydrophobicContact CB-CZ 4.13Å; I1298-F1300 PolarHBondContact O-N 3.05Å; F1300-I1303 PolarHBondContact O-N 2.54Å; F1300-A1304 WeakPolarHBondContact O-CB 3.41Å; F1300-A1304 PolarHBondContact O-N 3.25Å
1301D90.1Very high85.6Confident4 Ų439.5 Ų39.52%0.02120%0.204CC..Hα-helixtrans-64.1-40173.8-61.4-89.7000111.2Y1191 T1232 I1233 K1236 I1298 A1304 L1305Y1191-D1301 VanDerWaalsContact CE2-OD1 3.29Å; Y1191-D1301 WeakPolarHBondContact CE2-OD1 3.15Å; Y1191-D1301 PolarHBondContact OH-OD1 3.42Å; T1232-D1301 PolarHBondContact OG1-OD1 2.66Å; I1233-D1301 HydrophobicContact CD1-CB 4.04Å; I1233-D1301 HydrophobicContact CG1-CB 3.57Å; K1236-D1301 IonicContact NZ-OD2 2.75Å; K1236-D1301 PolarHBondContact NZ-OD2 3.41Å; I1298-D1301 WeakPolarHBondContact O-CA 3.47Å; I1298-D1301 WeakPolarHBondContact O-CB 3.33Å; I1298-D1301 PolarHBondContact O-N 3.11Å; D1301-A1304 PolarHBondContact O-N 2.83Å; D1301-L1305 WeakPolarHBondContact O-CB 3.27Å; D1301-L1305 PolarHBondContact O-N 3Å
1302V91Very high86.3Confident10 Ų1039.2 Ų39.26%0.06120%0.201CC..Hα-helixtrans-68.8-35176.9177.20000112.1G1008 I1009 F1012 I1233 I1298 G1299 S1306G1008-V1302 WeakPolarHBondContact O-CG2 3.29Å; I1009-V1302 HydrophobicContact CG1-CG1 4.42Å; F1012-V1302 HydrophobicContact CB-CG2 4.39Å; I1233-V1302 HydrophobicContact CD1-CG2 4.27Å; I1298-V1302 HydrophobicContact CD1-CG2 3.9Å; I1298-V1302 HydrophobicContact CG1-CG2 4.13Å; I1298-V1302 PolarHBondContact O-N 3.11Å; G1299-V1302 PolarHBondContact O-N 3.07Å; V1302-S1306 WeakPolarHBondContact O-CB 3.44Å; V1302-S1306 PolarHBondContact O-N 3.09Å; V1302-S1306 PolarHBondContact O-OG 3.39Å
1303I91.2Very high86.9Confident83 Ų8339.2 Ų39.243%0.42620%0.198SC..Hα-helixtrans-66.1-46.5171.8-67.1166.9000110.3G1299 F1300 L1305 S1306 F1307G1299-I1303 WeakPolarHBondContact O-CG1 3.27Å; G1299-I1303 PolarHBondContact O-N 2.71Å; G1299-I1303 VanDerWaalsContact O-N 3.16Å; F1300-I1303 PolarHBondContact O-N 2.54Å; I1303-L1305 PolarHBondContact O-N 3.37Å; I1303-S1306 WeakPolarHBondContact O-CB 3.1Å; I1303-S1306 PolarHBondContact O-N 2.95Å; I1303-F1307 HydrophobicContact CG2-CD2 4.04Å; I1303-F1307 HydrophobicContact CG2-CE2 4.01Å; I1303-F1307 WeakPolarHBondContact O-CD2 2.98Å; I1303-F1307 PolarHBondContact O-N 3.32Å; I1303-F1307 VanDerWaalsContact O-N 3.13Å
1304A91.1Very high87.7Confident1 Ų136.4 Ų36.41%0.00818%0.18CC..Hα-helixtrans-60.4-44.8176.500000112T1176 A1179 F1300 D1301 S1306 F1307 L1308T1176-A1304 HydrophobicContact CG2-CB 4.01Å; A1179-A1304 HydrophobicContact CB-CB 4.37Å; F1300-A1304 WeakPolarHBondContact O-CB 3.41Å; F1300-A1304 PolarHBondContact O-N 3.25Å; D1301-A1304 PolarHBondContact O-N 2.83Å; A1304-S1306 VanDerWaalsContact C-N 3.33Å; A1304-S1306 PolarHBondContact O-N 3.48Å; A1304-F1307 PolarHBondContact O-N 3.04Å; A1304-L1308 WeakPolarHBondContact O-CB 3.38Å; A1304-L1308 VanDerWaalsContact O-CG 3.28Å; A1304-L1308 WeakPolarHBondContact O-CG 3.47Å; A1304-L1308 PolarHBondContact O-N 3.2Å
1305L93.1Very high88.2Confident5 Ų531.3 Ų31.33%0.02616%0.157CC..Hα-helixtrans-54.9-46.617317565000111.7L1026 L1226 L1230 I1233 D1301 I1303 F1307 L1308 V1309L1026-L1305 HydrophobicContact CD2-CD2 3.91Å; L1226-L1305 HydrophobicContact CD1-CD1 3.46Å; L1226-L1305 VanDerWaalsContact CD1-CD1 3.46Å; L1230-L1305 HydrophobicContact CD2-CD1 3.94Å; L1230-L1305 HydrophobicContact CD2-CD2 4.43Å; L1230-L1305 HydrophobicContact CG-CD1 4.35Å; I1233-L1305 HydrophobicContact CD1-CB 4.4Å; I1233-L1305 HydrophobicContact CD1-CD2 4Å; D1301-L1305 WeakPolarHBondContact O-CB 3.27Å; D1301-L1305 PolarHBondContact O-N 3Å; I1303-L1305 PolarHBondContact O-N 3.37Å; L1305-F1307 PolarHBondContact O-N 3.38Å; L1305-L1308 PolarHBondContact O-N 3Å; L1305-V1309 HydrophobicContact CD1-CG2 4.09Å; L1305-V1309 WeakPolarHBondContact O-CG2 3.33Å; L1305-V1309 PolarHBondContact O-N 3.16Å
1306S91.8Very high88.6Confident23 Ų2332.4 Ų32.416%0.16116%0.162CC..Hα-helixtrans-58.8-46.4179.5-59.80000111.8V1302 I1303 A1304 F1310V1302-S1306 WeakPolarHBondContact O-CB 3.44Å; V1302-S1306 PolarHBondContact O-N 3.09Å; V1302-S1306 PolarHBondContact O-OG 3.39Å; I1303-S1306 WeakPolarHBondContact O-CB 3.1Å; I1303-S1306 PolarHBondContact O-N 2.95Å; A1304-S1306 VanDerWaalsContact C-N 3.33Å; A1304-S1306 PolarHBondContact O-N 3.48Å; S1306-F1310 WeakPolarHBondContact O-CD2 3.42Å; S1306-F1310 PolarHBondContact O-N 3.17Å
1307F92.5Very high88.9Confident86 Ų8633.5 Ų33.538%0.37717%0.168SC..Hα-helixtrans-65.7-40175.6-83.4-71.7000112.9I1171 T1172 S1175 I1303 A1304 L1305 F1310 Q1311I1171-F1307 HydrophobicContact CG2-CE1 4.12Å; T1172-F1307 HydrophobicContact CG2-CB 3.88Å; T1172-F1307 HydrophobicContact CG2-CD1 4.14Å; T1172-F1307 HydrophobicContact CG2-CG 4.42Å; S1175-F1307 VanDerWaalsContact OG-CD2 3.3Å; S1175-F1307 WeakPolarHBondContact OG-CD2 3.25Å; I1303-F1307 HydrophobicContact CG2-CD2 4.04Å; I1303-F1307 HydrophobicContact CG2-CE2 4.01Å; I1303-F1307 WeakPolarHBondContact O-CD2 2.98Å; I1303-F1307 PolarHBondContact O-N 3.32Å; I1303-F1307 VanDerWaalsContact O-N 3.13Å; A1304-F1307 PolarHBondContact O-N 3.04Å; L1305-F1307 PolarHBondContact O-N 3.38Å; F1307-F1310 PolarHBondContact O-N 2.86Å; F1307-Q1311 VanDerWaalsContact O-CB 3.31Å; F1307-Q1311 WeakPolarHBondContact O-CB 3.18Å; F1307-Q1311 PolarHBondContact O-N 2.86Å
1308L92.4Very high89Confident0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-64.3-43.7178.8-72.8166.3000112.3T1176 W1222 L1225 L1226 T1229 A1304 L1305 F1310 Q1311 I1312T1176-L1308 HydrophobicContact CG2-CD1 4.08Å; T1176-L1308 HydrophobicContact CG2-CD2 4.43Å; T1176-L1308 HydrophobicContact CG2-CG 4.32Å; W1222-L1308 HydrophobicContact CE3-CD2 3.63Å; W1222-L1308 HydrophobicContact CZ3-CD2 3.67Å; L1225-L1308 HydrophobicContact CD2-CD2 3.95Å; L1225-L1308 HydrophobicContact CG-CD1 4.25Å; L1225-L1308 HydrophobicContact CG-CD2 4.1Å; L1226-L1308 HydrophobicContact CD1-CB 4.31Å; T1229-L1308 HydrophobicContact CG2-CD1 3.48Å; T1229-L1308 VanDerWaalsContact CG2-CD1 3.48Å; A1304-L1308 WeakPolarHBondContact O-CB 3.38Å; A1304-L1308 VanDerWaalsContact O-CG 3.28Å; A1304-L1308 WeakPolarHBondContact O-CG 3.47Å; A1304-L1308 PolarHBondContact O-N 3.2Å; L1305-L1308 PolarHBondContact O-N 3Å; L1308-F1310 PolarHBondContact O-N 3.3Å; L1308-Q1311 PolarHBondContact O-N 3.08Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.28Å; L1308-I1312 PolarHBondContact O-N 2.96Å
1309V90.6Very high88.9Confident15 Ų1535.5 Ų35.59%0.09117%0.171CC..Hα-helixtrans-59.5-46.8175.8169.10000111E1001 M1004 L1305 R1313E1001-V1309 HydrophobicContact CB-CG1 4.16Å; E1001-V1309 HydrophobicContact CG-CG1 4.14Å; M1004-V1309 HydrophobicContact CE-CG1 3.88Å; L1305-V1309 HydrophobicContact CD1-CG2 4.09Å; L1305-V1309 WeakPolarHBondContact O-CG2 3.33Å; L1305-V1309 PolarHBondContact O-N 3.16Å; V1309-R1313 PolarHBondContact O-N 3.2Å; V1309-R1313 VanDerWaalsContact O-N 3.11Å
1310F89.5Confident89Confident82 Ų8234.7 Ų34.736%0.3616%0.162SC..Hα-helixtrans-65.8-37.7176-83.7-64.9000113F998 I1005 S1306 F1307 L1308 R1313 I1314F998-F1310 HydrophobicContact CD1-CE1 4.4Å; I1005-F1310 HydrophobicContact CD1-CD2 4.23Å; I1005-F1310 HydrophobicContact CD1-CE2 3.62Å; I1005-F1310 HydrophobicContact CD1-CZ 4.39Å; S1306-F1310 WeakPolarHBondContact O-CD2 3.42Å; S1306-F1310 PolarHBondContact O-N 3.17Å; F1307-F1310 PolarHBondContact O-N 2.86Å; L1308-F1310 PolarHBondContact O-N 3.3Å; F1310-R1313 PolarHBondContact O-N 3.23Å; F1310-I1314 WeakPolarHBondContact O-CG1 3.46Å; F1310-I1314 PolarHBondContact O-N 3.44Å
1311Q90.8Very high88.9Confident3 Ų329.4 Ų29.41%0.01414%0.139CC..Hα-helixtrans-70.8-34.9-180-173.456.550.100112.8T1172 W1222 F1307 L1308 I1314 F1315T1172-Q1311 HydrophobicContact CG2-CB 3.69Å; T1172-Q1311 HydrophobicContact CG2-CG 3.98Å; W1222-Q1311 HydrophobicContact CZ3-CG 4.49Å; F1307-Q1311 VanDerWaalsContact O-CB 3.31Å; F1307-Q1311 WeakPolarHBondContact O-CB 3.18Å; F1307-Q1311 PolarHBondContact O-N 2.86Å; L1308-Q1311 PolarHBondContact O-N 3.08Å; Q1311-I1314 WeakPolarHBondContact O-CB 3.37Å; Q1311-I1314 PolarHBondContact O-N 3.46Å; Q1311-F1315 HydrophobicContact CG-CD2 4.4Å; Q1311-F1315 HydrophobicContact CG-CE2 3.73Å; Q1311-F1315 HydrophobicContact CG-CZ 3.85Å; Q1311-F1315 VanDerWaalsContact O-CD2 3.25Å; Q1311-F1315 WeakPolarHBondContact O-CD2 3.24Å; Q1311-F1315 WeakPolarHBondContact O-CG 3.25Å; Q1311-F1315 PolarHBondContact O-N 3.45Å
1312I88.3Confident88.8Confident25 Ų2530.4 Ų30.413%0.12814%0.143CC..Hα-helixtrans-65.5-42.6171-70.6164.9000110.2L1226 L1308 I1314 F1315 H1316L1226-I1312 HydrophobicContact CB-CD1 4.26Å; L1226-I1312 HydrophobicContact CD2-CD1 3.72Å; L1226-I1312 HydrophobicContact CG-CD1 4.5Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.28Å; L1308-I1312 PolarHBondContact O-N 2.96Å; I1312-I1314 VanDerWaalsContact C-N 3.27Å; I1312-I1314 PolarHBondContact O-N 3.35Å; I1312-F1315 PolarHBondContact O-N 3.26Å; I1312-F1315 VanDerWaalsContact O-N 3.16Å; I1312-H1316 PolarHBondContact O-CD2 2.82Å; I1312-H1316 PolarHBondContact O-N 3.01Å
1313R87.1Confident88.7Confident65 Ų6529.9 Ų29.925%0.24514%0.14CC..Hα-helixtrans-62.3-32.6173.4-170.456.4152150.20.5112.8K997 E1001 N1129 V1309 F1310K997-R1313 PolarHBondContact O-NH2 3.17Å; E1001-R1313 WeakPolarHBondContact OE1-CD 3.3Å; E1001-R1313 IonicContact OE1-CZ 3.64Å; E1001-R1313 IonicContact OE1-NE 3.64Å; E1001-R1313 PolarHBondContact OE1-NE 2.73Å; E1001-R1313 IonicContact OE1-NH2 3.01Å; N1129-R1313 PolarHBondContact O-NH1 2.84Å; V1309-R1313 PolarHBondContact O-N 3.2Å; V1309-R1313 VanDerWaalsContact O-N 3.11Å; F1310-R1313 PolarHBondContact O-N 3.23Å
1314I88.2Confident88.4Confident25 Ų2526 Ų2613%0.12812%0.12CC..Hα-helixtrans-64.1-47170.9-80.8165.6000111.7V1164 F1165 F1310 Q1311 I1312 H1316 S1317 F1320V1164-I1314 HydrophobicContact CG1-CD1 3.78Å; V1164-I1314 HydrophobicContact CG1-CG1 4.42Å; F1165-I1314 HydrophobicContact CD1-CG1 4.23Å; F1165-I1314 HydrophobicContact CD1-CG2 4Å; F1165-I1314 HydrophobicContact CE1-CG1 4.08Å; F1310-I1314 WeakPolarHBondContact O-CG1 3.46Å; F1310-I1314 PolarHBondContact O-N 3.44Å; Q1311-I1314 WeakPolarHBondContact O-CB 3.37Å; Q1311-I1314 PolarHBondContact O-N 3.46Å; I1312-I1314 VanDerWaalsContact C-N 3.27Å; I1312-I1314 PolarHBondContact O-N 3.35Å; I1314-H1316 PolarHBondContact O-N 2.91Å; I1314-S1317 VanDerWaalsContact O-CB 3.28Å; I1314-S1317 WeakPolarHBondContact O-CB 3.49Å; I1314-S1317 PolarHBondContact O-N 3.11Å; I1314-F1320 HydrophobicContact CG2-CD2 4.37Å
1315F87.1Confident88.2Confident2 Ų227 Ų271%0.00913%0.127CC..Hα-helixtrans-64-23.8179.5-65-43.9000113.6Y1206 F1215 W1222 Q1311 I1312 S1317 F1320Y1206-F1315 HydrophobicContact CD1-CE1 4.46Å; Y1206-F1315 AromaticContact CE1-CE1 3.73Å; Y1206-F1315 HydrophobicContact CE1-CE1 3.73Å; Y1206-F1315 AromaticContact CE1-CZ 3.85Å; Y1206-F1315 HydrophobicContact CE1-CZ 3.85Å; F1215-F1315 HydrophobicContact CZ-CB 4.3Å; W1222-F1315 AromaticContact CD1-CE2 3.54Å; W1222-F1315 AromaticContact CD2-CE2 3.82Å; W1222-F1315 HydrophobicContact CD2-CE2 3.82Å; W1222-F1315 HydrophobicContact CD2-CZ 4.34Å; W1222-F1315 AromaticContact CE2-CE2 3.72Å; W1222-F1315 AromaticContact CE2-CZ 3.76Å; W1222-F1315 AromaticContact CG-CE2 3.74Å; W1222-F1315 HydrophobicContact CG-CE2 3.74Å; W1222-F1315 HydrophobicContact CG-CZ 4.5Å; W1222-F1315 HydrophobicContact CZ2-CE2 4.42Å; W1222-F1315 HydrophobicContact CZ2-CZ 4.14Å; W1222-F1315 AromaticContact NE1-CE2 3.53Å; W1222-F1315 AromaticContact NE1-CZ 3.54Å; Q1311-F1315 HydrophobicContact CG-CD2 4.4Å; Q1311-F1315 HydrophobicContact CG-CE2 3.73Å; Q1311-F1315 HydrophobicContact CG-CZ 3.85Å; Q1311-F1315 VanDerWaalsContact O-CD2 3.25Å; Q1311-F1315 WeakPolarHBondContact O-CD2 3.24Å; Q1311-F1315 WeakPolarHBondContact O-CG 3.25Å; Q1311-F1315 PolarHBondContact O-N 3.45Å; I1312-F1315 PolarHBondContact O-N 3.26Å; I1312-F1315 VanDerWaalsContact O-N 3.16Å; F1315-S1317 VanDerWaalsContact C-N 3.33Å; F1315-F1320 HydrophobicContact CD1-CD1 4.02Å; F1315-F1320 HydrophobicContact CD1-CD2 4.08Å; F1315-F1320 AromaticContact CD1-CE1 3.71Å; F1315-F1320 HydrophobicContact CD1-CE1 3.71Å; F1315-F1320 AromaticContact CD1-CE2 3.78Å; F1315-F1320 HydrophobicContact CD1-CE2 3.78Å; F1315-F1320 HydrophobicContact CD1-CG 4.2Å; F1315-F1320 AromaticContact CD1-CZ 3.59Å; F1315-F1320 HydrophobicContact CD1-CZ 3.59Å; F1315-F1320 HydrophobicContact CE1-CD2 4.43Å; F1315-F1320 HydrophobicContact CE1-CE1 4.17Å; F1315-F1320 AromaticContact CE1-CE2 3.74Å; F1315-F1320 HydrophobicContact CE1-CE2 3.74Å; F1315-F1320 AromaticContact CE1-CZ 3.6Å; F1315-F1320 HydrophobicContact CE1-CZ 3.6Å
1316H82.4Confident88Confident40 Ų4027.5 Ų27.519%0.18513%0.128CC..THydrogen-bonded Turntrans-85.14.8173.9-73.2-63.7000114.8Y1133 I1312 I1314Y1133-H1316 AromaticContact CD1-CE1 3.78Å; I1312-H1316 PolarHBondContact O-CD2 2.82Å; I1312-H1316 PolarHBondContact O-N 3.01Å; I1314-H1316 PolarHBondContact O-N 2.91Å
1317S83.5Confident87.7Confident33 Ų3326.5 Ų26.523%0.23112%0.121CC..SBendtrans-104.4146-171.9-172.10000114.5I1314 F1315 Y1319 F1320I1314-S1317 VanDerWaalsContact O-CB 3.28Å; I1314-S1317 WeakPolarHBondContact O-CB 3.49Å; I1314-S1317 PolarHBondContact O-N 3.11Å; F1315-S1317 VanDerWaalsContact C-N 3.33Å; S1317-Y1319 PolarHBondContact O-N 2.99Å; S1317-Y1319 VanDerWaalsContact O-N 3.08Å; S1317-F1320 PolarHBondContact O-N 2.76Å
1318W84.7Confident87.3Confident85 Ų8522.5 Ų22.532%0.32210%0.104SC..Hα-helixtrans-58.7-24.9-177.6-68.999.4000113.9I1132 K1141 N1144 P1145 Q1146I1132-W1318 HydrophobicContact CD1-CB 4.16Å; I1132-W1318 HydrophobicContact CD1-CD2 3.48Å; I1132-W1318 VanDerWaalsContact CD1-CD2 3.48Å; I1132-W1318 HydrophobicContact CD1-CE3 3.76Å; I1132-W1318 HydrophobicContact CD1-CG 3.67Å; I1132-W1318 HydrophobicContact CD1-CZ2 4.45Å; I1132-W1318 HydrophobicContact CD1-CZ3 4.35Å; I1132-W1318 HydrophobicContact CG1-CD2 3.85Å; I1132-W1318 HydrophobicContact CG1-CE3 4.28Å; I1132-W1318 HydrophobicContact CG1-CG 4.25Å; I1132-W1318 HydrophobicContact CG1-CH2 4.35Å; I1132-W1318 HydrophobicContact CG1-CZ2 3.93Å; K1141-W1318 HydrophobicContact CD-CH2 4.33Å; K1141-W1318 HydrophobicContact CD-CZ3 4.39Å; N1144-W1318 PolarHBondContact ND2-O 2.77Å; P1145-W1318 HydrophobicContact CG-CD2 4.15Å; P1145-W1318 HydrophobicContact CG-CE3 4.1Å; P1145-W1318 HydrophobicContact CG-CZ3 4.35Å; Q1146-W1318 HydrophobicContact CG-CB 4.22Å
1319Y88Confident87Confident24 Ų2422.5 Ų22.59%0.09410%0.104CC..Hα-helixtrans-73.1-27.4178.4-58.7-66.2000113.3F979 Q1146 F1149 K1161 F1165 S1317 Q1321F979-Y1319 WeakPolarHBondContact CZ-OH 3.32Å; Q1146-Y1319 HydrophobicContact CB-CD1 4.25Å; Q1146-Y1319 HydrophobicContact CB-CE1 3.75Å; Q1146-Y1319 HydrophobicContact CG-CD1 4.49Å; Q1146-Y1319 HydrophobicContact CG-CE1 3.74Å; Q1146-Y1319 PolarHBondContact OE1-OH 3.04Å; Q1146-Y1319 VanDerWaalsContact OE1-OH 3.08Å; F1149-Y1319 AromaticContact CD1-CD1 3.96Å; F1149-Y1319 HydrophobicContact CD1-CD1 3.96Å; F1149-Y1319 AromaticContact CE1-CD1 3.8Å; F1149-Y1319 HydrophobicContact CE1-CD1 3.8Å; F1149-Y1319 HydrophobicContact CE1-CG 4.24Å; F1149-Y1319 WeakPolarHBondContact CE1-O 3.26Å; F1149-Y1319 WeakPolarHBondContact CZ-O 3.07Å; K1161-Y1319 HydrophobicContact CD-CD1 4.43Å; K1161-Y1319 HydrophobicContact CD-CE1 4.35Å; F1165-Y1319 HydrophobicContact CD2-CD2 4.39Å; F1165-Y1319 HydrophobicContact CD2-CG 4.07Å; F1165-Y1319 HydrophobicContact CE1-CD2 4.18Å; F1165-Y1319 AromaticContact CE2-CD2 3.61Å; F1165-Y1319 HydrophobicContact CE2-CD2 3.61Å; F1165-Y1319 AromaticContact CE2-CG 3.73Å; F1165-Y1319 HydrophobicContact CE2-CG 3.73Å; F1165-Y1319 AromaticContact CZ-CD2 3.5Å; F1165-Y1319 HydrophobicContact CZ-CD2 3.5Å; F1165-Y1319 HydrophobicContact CZ-CE2 4.43Å; F1165-Y1319 AromaticContact CZ-CG 3.99Å; F1165-Y1319 HydrophobicContact CZ-CG 3.99Å; S1317-Y1319 PolarHBondContact O-N 2.99Å; S1317-Y1319 VanDerWaalsContact O-N 3.08Å; Y1319-Q1321 VanDerWaalsContact C-N 3.3Å; Y1319-Q1321 PolarHBondContact O-N 3.28Å
1320F87.8Confident86.6Confident1 Ų122.6 Ų22.60%0.00410%0.103CC..Hα-helixtrans-71.1-25.6180-172.4-105.3000112.7Y1206 F1215 I1314 F1315 S1317 H1322 C1323 M1324Y1206-F1320 HydrophobicContact CD1-CE1 4.45Å; Y1206-F1320 AromaticContact CD1-CZ 3.78Å; Y1206-F1320 HydrophobicContact CD1-CZ 3.78Å; Y1206-F1320 HydrophobicContact CE1-CZ 4.21Å; Y1206-F1320 HydrophobicContact CG-CZ 4.19Å; F1215-F1320 HydrophobicContact CE2-CD1 4.48Å; F1215-F1320 HydrophobicContact CE2-CE1 4.07Å; I1314-F1320 HydrophobicContact CG2-CD2 4.37Å; F1315-F1320 HydrophobicContact CD1-CD1 4.02Å; F1315-F1320 HydrophobicContact CD1-CD2 4.08Å; F1315-F1320 AromaticContact CD1-CE1 3.71Å; F1315-F1320 HydrophobicContact CD1-CE1 3.71Å; F1315-F1320 AromaticContact CD1-CE2 3.78Å; F1315-F1320 HydrophobicContact CD1-CE2 3.78Å; F1315-F1320 HydrophobicContact CD1-CG 4.2Å; F1315-F1320 AromaticContact CD1-CZ 3.59Å; F1315-F1320 HydrophobicContact CD1-CZ 3.59Å; F1315-F1320 HydrophobicContact CE1-CD2 4.43Å; F1315-F1320 HydrophobicContact CE1-CE1 4.17Å; F1315-F1320 AromaticContact CE1-CE2 3.74Å; F1315-F1320 HydrophobicContact CE1-CE2 3.74Å; F1315-F1320 AromaticContact CE1-CZ 3.6Å; F1315-F1320 HydrophobicContact CE1-CZ 3.6Å; S1317-F1320 PolarHBondContact O-N 2.76Å; F1320-H1322 VanDerWaalsContact C-N 3.29Å; F1320-H1322 PolarHBondContact O-N 2.92Å; F1320-C1323 HydrophobicContact CD2-CB 4.25Å; F1320-C1323 HydrophobicContact CE2-CB 4.38Å; F1320-C1323 WeakPolarHBondContact O-CB 3.36Å; F1320-C1323 PolarHBondContact O-N 3.46Å; F1320-M1324 HydrophobicContact CD1-CG 3.9Å; F1320-M1324 HydrophobicContact CD1-SD 3.85Å; F1320-M1324 HydrophobicContact CE1-CG 3.52Å; F1320-M1324 HydrophobicContact CE1-SD 3.68Å; F1320-M1324 HydrophobicContact CZ-CG 4.17Å; F1320-M1324 PolarHBondContact O-N 3.11Å; F1320-M1324 VanDerWaalsContact O-N 3.14Å
1321Q86.8Confident86.1Confident6 Ų621.8 Ų21.83%0.02811%0.105CC..Hα-helixtrans-58.7-39.7178.1-164.8-171.4-67.100112.2I1140 K1141 Y1319 C1323 M1324 V1325I1140-Q1321 HydrophobicContact CG2-CG 3.85Å; K1141-Q1321 PolarHBondContact O-NE2 2.78Å; Y1319-Q1321 VanDerWaalsContact C-N 3.3Å; Y1319-Q1321 PolarHBondContact O-N 3.28Å; Q1321-C1323 VanDerWaalsContact C-N 3.32Å; Q1321-C1323 PolarHBondContact O-N 3.46Å; Q1321-M1324 PolarHBondContact O-N 2.94Å; Q1321-V1325 PolarHBondContact O-N 2.95Å
1322H88.1Confident85.7Confident24 Ų2421.7 Ų21.711%0.11111%0.105CC..Hα-helixtrans-65-35.3176.2-70.1-44.8000112.1N1144 Q1146 Y1147 F1149 I1150 F1320 M1324 V1325 E1326N1144-H1322 PolarHBondContact ND2-NE2 3.38Å; Q1146-H1322 PolarHBondContact O-NE2 3.46Å; Y1147-H1322 PolarHBondContact O-NE2 3.22Å; F1149-H1322 HydrophobicContact CE1-CB 4.23Å; I1150-H1322 HydrophobicContact CD1-CB 4.08Å; F1320-H1322 VanDerWaalsContact C-N 3.29Å; F1320-H1322 PolarHBondContact O-N 2.92Å; H1322-M1324 PolarHBondContact O-N 2.9Å; H1322-V1325 PolarHBondContact O-N 3.23Å; H1322-E1326 PolarHBondContact O-N 3.25Å; H1322-E1326 VanDerWaalsContact O-N 3.08Å
1323C88.4Confident85.4Confident0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-64.7-38174-55.90000112.1I1150 F1320 Q1321 E1326 Y1327I1150-C1323 HydrophobicContact CD1-CB 4.44Å; F1320-C1323 HydrophobicContact CD2-CB 4.25Å; F1320-C1323 HydrophobicContact CE2-CB 4.38Å; F1320-C1323 WeakPolarHBondContact O-CB 3.36Å; F1320-C1323 PolarHBondContact O-N 3.46Å; Q1321-C1323 VanDerWaalsContact C-N 3.32Å; Q1321-C1323 PolarHBondContact O-N 3.46Å; C1323-E1326 PolarHBondContact O-N 3.06Å; C1323-Y1327 HydrophobicContact CB-CE2 4.15Å; C1323-Y1327 WeakPolarHBondContact O-CD2 3.48Å; C1323-Y1327 PolarHBondContact O-N 3.37Å
1324M85.5Confident84.8Confident1 Ų119 Ų191%0.00510%0.099CC..Hα-helixtrans-65.8-39.2176.5-64178.871.400112.8F1138 I1140 M1208 F1215 F1320 Q1321 H1322 E1326 Y1327 R1328F1138-M1324 HydrophobicContact CE1-CE 4.24Å; F1138-M1324 HydrophobicContact CE1-SD 3.85Å; F1138-M1324 HydrophobicContact CZ-SD 4.19Å; I1140-M1324 HydrophobicContact CD1-CE 4.43Å; M1208-M1324 HydrophobicContact CE-CE 4.13Å; M1208-M1324 HydrophobicContact CG-CE 3.71Å; M1208-M1324 HydrophobicContact SD-CE 3.67Å; F1215-M1324 HydrophobicContact CD2-CE 3.89Å; F1215-M1324 HydrophobicContact CD2-SD 4.28Å; F1215-M1324 HydrophobicContact CE2-CE 4.49Å; F1215-M1324 HydrophobicContact CE2-SD 4.3Å; F1215-M1324 HydrophobicContact CG-CE 4.47Å; F1320-M1324 HydrophobicContact CD1-CG 3.9Å; F1320-M1324 HydrophobicContact CD1-SD 3.85Å; F1320-M1324 HydrophobicContact CE1-CG 3.52Å; F1320-M1324 HydrophobicContact CE1-SD 3.68Å; F1320-M1324 HydrophobicContact CZ-CG 4.17Å; F1320-M1324 PolarHBondContact O-N 3.11Å; F1320-M1324 VanDerWaalsContact O-N 3.14Å; Q1321-M1324 PolarHBondContact O-N 2.94Å; H1322-M1324 PolarHBondContact O-N 2.9Å; M1324-E1326 VanDerWaalsContact C-N 3.31Å; M1324-Y1327 PolarHBondContact O-N 3.19Å; M1324-R1328 WeakPolarHBondContact O-CG 3.25Å; M1324-R1328 PolarHBondContact O-N 3.08Å
1325V86.3Confident84.2Confident23 Ų2321.1 Ų21.114%0.13911%0.11CC..Hα-helixtrans-64.4-38.6173.8175.60000110.7Q1321 H1322 R1328 S1329 K1545 L1552Q1321-V1325 PolarHBondContact O-N 2.95Å; H1322-V1325 PolarHBondContact O-N 3.23Å; V1325-R1328 PolarHBondContact O-N 3.12Å; V1325-S1329 PolarHBondContact O-N 3.49Å; V1325-K1545 HydrophobicContact CG1-CG 4.4Å; V1325-L1552 HydrophobicContact CG1-CB 4.35Å; V1325-L1552 HydrophobicContact CG1-CD1 4.29Å
1326E87.8Confident84Confident14 Ų1421.9 Ų21.97%0.06511%0.113CC..Hα-helixtrans-67.6-39.8177.3-178.763.1173.900113.2I1150 H1322 C1323 M1324 R1328 S1329 E1330 K1541 K1545I1150-E1326 HydrophobicContact CD1-CB 4.24Å; I1150-E1326 HydrophobicContact CG2-CG 4.43Å; H1322-E1326 PolarHBondContact O-N 3.25Å; H1322-E1326 VanDerWaalsContact O-N 3.08Å; C1323-E1326 PolarHBondContact O-N 3.06Å; M1324-E1326 VanDerWaalsContact C-N 3.31Å; E1326-R1328 PolarHBondContact O-N 2.96Å; E1326-S1329 PolarHBondContact O-N 3.26Å; E1326-S1329 VanDerWaalsContact O-N 3.13Å; E1326-S1329 PolarHBondContact O-OG 2.83Å; E1326-S1329 PolarHBondContact OE2-OG 3.22Å; E1326-E1330 PolarHBondContact O-N 3.43Å; E1326-E1330 VanDerWaalsContact O-N 3.09Å; E1326-K1541 WeakPolarHBondContact OE1-CD 3.17Å; E1326-K1541 WeakPolarHBondContact OE1-CE 3.42Å; E1326-K1541 IonicContact OE1-NZ 3.16Å; E1326-K1541 PolarHBondContact OE1-NZ 3.25Å; E1326-K1545 VanDerWaalsContact OE2-CE 3.26Å; E1326-K1545 WeakPolarHBondContact OE2-CE 3.25Å; E1326-K1545 IonicContact OE2-NZ 2.69Å
1327Y85.2Confident84Confident3 Ų320 Ų201%0.01210%0.104CC..Hα-helixtrans-65.4-27.8173.3-57.9-46.9000112.7H1166 H1169 N1203 Y1206 C1323 M1324H1166-Y1327 AromaticContact CE1-CE1 3.34Å; H1166-Y1327 WeakPolarHBondContact CE1-CE1 3.28Å; H1166-Y1327 AromaticContact CE1-CZ 3.78Å; H1166-Y1327 AromaticContact ND1-CE1 3.73Å; H1166-Y1327 AromaticContact ND1-CZ 3.65Å; H1166-Y1327 PolarHBondContact ND1-OH 3.18Å; H1166-Y1327 PolarHBondContact O-OH 3.28Å; H1169-Y1327 PolarHBondContact CE1-OH 3.37Å; N1203-Y1327 HydrophobicContact CB-CD1 4.2Å; Y1206-Y1327 HydrophobicContact CD2-CD2 4.24Å; Y1206-Y1327 AromaticContact CD2-CE2 3.94Å; Y1206-Y1327 HydrophobicContact CD2-CE2 3.94Å; Y1206-Y1327 HydrophobicContact CG-CD2 4.31Å; Y1206-Y1327 HydrophobicContact CG-CE2 4.22Å; C1323-Y1327 HydrophobicContact CB-CE2 4.15Å; C1323-Y1327 WeakPolarHBondContact O-CD2 3.48Å; C1323-Y1327 PolarHBondContact O-N 3.37Å; M1324-Y1327 PolarHBondContact O-N 3.19Å
1328R85Confident83.8Confident2 Ų218.5 Ų18.51%0.0089%0.094CC..Hα-helixtrans-72.1-37.2171.3-68.7169.973.790.1-9.2111.7V1207 M1208 M1324 V1325 E1326 I1332 L1552 N1554 L1559V1207-R1328 HydrophobicContact CG1-CG 4.46Å; M1208-R1328 PolarHBondContact O-NH1 2.93Å; M1324-R1328 WeakPolarHBondContact O-CG 3.25Å; M1324-R1328 PolarHBondContact O-N 3.08Å; V1325-R1328 PolarHBondContact O-N 3.12Å; E1326-R1328 PolarHBondContact O-N 2.96Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.18Å; R1328-I1332 PolarHBondContact O-N 2.97Å; R1328-L1552 WeakPolarHBondContact CD-O 3.41Å; R1328-L1552 PolarHBondContact NE-O 2.89Å; R1328-L1552 PolarHBondContact NH2-O 3.11Å; R1328-N1554 PolarHBondContact NH2-O 2.79Å; R1328-L1559 HydrophobicContact CB-CD2 4.32Å; R1328-L1559 HydrophobicContact CG-CD2 4.3Å
1329S85.3Confident83.5Confident0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-63-41.6176.491.20000112V1325 E1326 I1332 L1333 K1541V1325-S1329 PolarHBondContact O-N 3.49Å; E1326-S1329 PolarHBondContact O-N 3.26Å; E1326-S1329 VanDerWaalsContact O-N 3.13Å; E1326-S1329 PolarHBondContact O-OG 2.83Å; E1326-S1329 PolarHBondContact OE2-OG 3.22Å; S1329-I1332 PolarHBondContact O-N 2.73Å; S1329-L1333 PolarHBondContact O-N 2.94Å; S1329-K1541 WeakPolarHBondContact OG-CE 3.31Å
1330E83Confident83.3Confident16 Ų1615.5 Ų15.58%0.0759%0.087CC..Hα-helixtrans-62.7-43.4179.1-74.2-170.9156.300113.3E1326 I1332 A1334 K1541 K1727E1326-E1330 PolarHBondContact O-N 3.43Å; E1326-E1330 VanDerWaalsContact O-N 3.09Å; E1330-I1332 VanDerWaalsContact C-N 3.33Å; E1330-I1332 PolarHBondContact O-N 2.68Å; E1330-A1334 PolarHBondContact O-N 3.19Å; E1330-A1334 VanDerWaalsContact O-N 3.11Å; E1330-K1541 IonicContact OE1-NZ 2.71Å; E1330-K1541 PolarHBondContact OE1-NZ 2.98Å; E1330-K1727 WeakPolarHBondContact OE1-CE 3.29Å; E1330-K1727 IonicContact OE1-NZ 2.71Å; E1330-K1727 PolarHBondContact OE1-NZ 3.07Å
1331V79.3Confident83Confident66 Ų6618.9 Ų18.940%0.410%0.102SC..Hα-helixtrans-67.3-34.4179.7173.60000112V1207 L1559V1207-V1331 HydrophobicContact CG2-CG2 4.1Å; V1331-L1559 HydrophobicContact CB-CD2 3.83Å; V1331-L1559 HydrophobicContact CG1-CD2 3.76Å
1332I81.5Confident82.5Confident1 Ų120.2 Ų20.21%0.00511%0.109CC..Hα-helixtrans-68.5-47.1178.4-68.6166.5000110.7R1328 S1329 E1330 L1544 L1552 I1562 R1563R1328-I1332 WeakPolarHBondContact O-CG1 3.18Å; R1328-I1332 PolarHBondContact O-N 2.97Å; S1329-I1332 PolarHBondContact O-N 2.73Å; E1330-I1332 VanDerWaalsContact C-N 3.33Å; E1330-I1332 PolarHBondContact O-N 2.68Å; I1332-L1544 HydrophobicContact CB-CD2 4.1Å; I1332-L1544 HydrophobicContact CD1-CD2 4.32Å; I1332-L1544 HydrophobicContact CG2-CD2 3.85Å; I1332-L1552 HydrophobicContact CD1-CD2 3.57Å; I1332-I1562 HydrophobicContact CD1-CG2 3.88Å; I1332-R1563 HydrophobicContact CG2-CB 4.42Å; I1332-R1563 HydrophobicContact CG2-CG 4.48Å; I1332-R1563 WeakPolarHBondContact O-CD 3.18Å; I1332-R1563 PolarHBondContact O-NH1 3.5Å
1333L82.3Confident82.2Confident11 Ų1119.6 Ų19.66%0.05811%0.106CC..Hα-helixtrans-84.6-18.9-171.9-77.1164.3000115.4S1329 N1335 R1336 E1540 K1541 L1544S1329-L1333 PolarHBondContact O-N 2.94Å; L1333-N1335 PolarHBondContact O-N 3.38Å; L1333-N1335 VanDerWaalsContact O-N 3.08Å; L1333-R1336 VanDerWaalsContact O-CB 3.28Å; L1333-R1336 WeakPolarHBondContact O-CB 3.2Å; L1333-R1336 PolarHBondContact O-N 2.99Å; L1333-E1540 HydrophobicContact CD1-CB 4.39Å; L1333-E1540 HydrophobicContact CD2-CB 4.43Å; L1333-K1541 HydrophobicContact CD1-CB 4.21Å; L1333-K1541 HydrophobicContact CD1-CG 3.58Å; L1333-L1544 HydrophobicContact CD1-CD2 3.97Å; L1333-L1544 HydrophobicContact CG-CD2 4.14Å
1334A73.7Confident81.8Confident23 Ų2319.8 Ų19.819%0.1911%0.107CC..THydrogen-bonded Turntrans-12.7-80.7-175.800000116.3E1330 R1336 G1337 G1729E1330-A1334 PolarHBondContact O-N 3.19Å; E1330-A1334 VanDerWaalsContact O-N 3.11Å; A1334-R1336 PolarHBondContact O-N 3.42Å; A1334-G1337 PolarHBondContact O-N 3.32Å; A1334-G1729 VanDerWaalsContact O-CA 3.23Å; A1334-G1729 WeakPolarHBondContact O-CA 3.38Å
1335N77Confident81.3Confident69 Ų6921.9 Ų21.937%0.36912%0.118SC..THydrogen-bonded Turntrans-49.6-23.8-171.4-53.637000115.5L1333 G1337 A1338 V1339 R1563L1333-N1335 PolarHBondContact O-N 3.38Å; L1333-N1335 VanDerWaalsContact O-N 3.08Å; N1335-G1337 VanDerWaalsContact C-N 3.33Å; N1335-G1337 PolarHBondContact O-N 3.28Å; N1335-A1338 WeakPolarHBondContact O-CB 3.48Å; N1335-A1338 PolarHBondContact O-N 3.24Å; N1335-V1339 PolarHBondContact O-N 3.14Å; N1335-R1563 PolarHBondContact OD1-NH1 2.89Å; N1335-R1563 PolarHBondContact OD1-NH2 3.32Å
1336R82.9Confident80.9Confident17 Ų1721.7 Ų21.76%0.06412%0.116CC..Hα-helixtrans-64.5-32.8-173.418050.6172169.5-1113.3L1333 A1334 A1338 V1339 L1340 L1537 E1540 V1574L1333-R1336 VanDerWaalsContact O-CB 3.28Å; L1333-R1336 WeakPolarHBondContact O-CB 3.2Å; L1333-R1336 PolarHBondContact O-N 2.99Å; A1334-R1336 PolarHBondContact O-N 3.42Å; R1336-A1338 VanDerWaalsContact C-N 3.31Å; R1336-A1338 PolarHBondContact O-N 3.03Å; R1336-V1339 PolarHBondContact O-N 3.43Å; R1336-L1340 HydrophobicContact CG-CD1 4.17Å; R1336-L1340 WeakPolarHBondContact O-CG 3.39Å; R1336-L1340 PolarHBondContact O-N 3.38Å; R1336-L1537 HydrophobicContact CB-CD2 4.03Å; R1336-L1537 HydrophobicContact CG-CD2 3.96Å; R1336-E1540 WeakPolarHBondContact CG-OE2 3.49Å; R1336-E1540 IonicContact CZ-OE1 2.69Å; R1336-E1540 IonicContact NE-OE1 3.46Å; R1336-E1540 PolarHBondContact NE-OE1 3.16Å; R1336-E1540 VanDerWaalsContact NE-OE1 3.08Å; R1336-E1540 IonicContact NE-OE2 3.37Å; R1336-E1540 PolarHBondContact NE-OE2 2.86Å; R1336-E1540 VanDerWaalsContact NE-OE2 3.16Å; R1336-E1540 IonicContact NH2-OE1 2.75Å; R1336-E1540 PolarHBondContact NH2-OE1 3.43Å; R1336-V1574 PolarHBondContact NH1-O 3.12Å; R1336-V1574 PolarHBondContact NH2-O 2.9Å
1337G82.9Confident80.5Confident1 Ų122.1 Ų22.11%0.0112%0.118CC..Hα-helixtrans-66-32.617600000113.5A1334 N1335 K1341 L1728A1334-G1337 PolarHBondContact O-N 3.32Å; N1335-G1337 VanDerWaalsContact C-N 3.33Å; N1335-G1337 PolarHBondContact O-N 3.28Å; G1337-K1341 PolarHBondContact O-N 2.8Å; G1337-K1341 VanDerWaalsContact O-N 3.1Å; G1337-L1728 CarbonylContact C-O 3.58Å; G1337-L1728 WeakPolarHBondContact CA-O 3.33Å
1338A77.4Confident80Confident1 Ų123.4 Ų23.41%0.00812%0.124CC..Hα-helixtrans-68.2-41.8173.300000112.1N1335 R1336 K1341 N1342 L1728 L1730 A1734N1335-A1338 WeakPolarHBondContact O-CB 3.48Å; N1335-A1338 PolarHBondContact O-N 3.24Å; R1336-A1338 VanDerWaalsContact C-N 3.31Å; R1336-A1338 PolarHBondContact O-N 3.03Å; A1338-K1341 PolarHBondContact O-N 3.27Å; A1338-N1342 PolarHBondContact O-N 2.92Å; A1338-N1342 PolarHBondContact O-OD1 3.29Å; A1338-L1728 PolarHBondContact N-O 3.28Å; A1338-L1730 HydrophobicContact CB-CD2 3.81Å; A1338-A1734 HydrophobicContact CB-CB 4.5Å
1339V78.8Confident79.5Confident47 Ų4725.3 Ų25.329%0.28513%0.133SC..Hα-helixtrans-60.7-47.5175.3175.80000110.9N1335 R1336 K1341 N1342 Q1343 T1739N1335-V1339 PolarHBondContact O-N 3.14Å; R1336-V1339 PolarHBondContact O-N 3.43Å; V1339-K1341 PolarHBondContact O-N 3.16Å; V1339-N1342 PolarHBondContact O-N 2.91Å; V1339-Q1343 WeakPolarHBondContact O-CG 3.5Å; V1339-Q1343 PolarHBondContact O-N 2.91Å; V1339-T1739 HydrophobicContact CG1-CG2 4.16Å
1340L84.4Confident79.1Confident0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-62.8-39.1179.4-69166.1000112.7R1336 L1344 Y1532 V1533 V1536 L1537 V1574R1336-L1340 HydrophobicContact CG-CD1 4.17Å; R1336-L1340 WeakPolarHBondContact O-CG 3.39Å; R1336-L1340 PolarHBondContact O-N 3.38Å; L1340-L1344 PolarHBondContact O-N 3.31Å; L1340-Y1532 HydrophobicContact CD2-CE1 4.42Å; L1340-V1533 HydrophobicContact CB-CG1 4.37Å; L1340-V1533 HydrophobicContact CB-CG2 3.96Å; L1340-V1533 HydrophobicContact CD1-CG1 4.34Å; L1340-V1536 HydrophobicContact CD1-CB 3.94Å; L1340-V1536 HydrophobicContact CD1-CG1 3.57Å; L1340-V1536 HydrophobicContact CD2-CG1 4.12Å; L1340-L1537 HydrophobicContact CD1-CG 4.46Å; L1340-V1574 HydrophobicContact CD2-CB 3.86Å; L1340-V1574 HydrophobicContact CD2-CG1 4.17Å; L1340-V1574 HydrophobicContact CD2-CG2 4.01Å
1341K80.7Confident78.7Confident72 Ų7231.5 Ų31.531%0.31316%0.161SC..Hα-helixtrans-68.9-40.3175.1177.5157.6175.4149.50112.1G1337 A1338 V1339 L1344 I1345 E1529G1337-K1341 PolarHBondContact O-N 2.8Å; G1337-K1341 VanDerWaalsContact O-N 3.1Å; A1338-K1341 PolarHBondContact O-N 3.27Å; V1339-K1341 PolarHBondContact O-N 3.16Å; K1341-L1344 PolarHBondContact O-N 3.04Å; K1341-I1345 HydrophobicContact CD-CD1 4.49Å; K1341-I1345 HydrophobicContact CG-CD1 3.85Å; K1341-I1345 HydrophobicContact CG-CG1 4.41Å; K1341-I1345 WeakPolarHBondContact O-CG1 3.3Å; K1341-I1345 PolarHBondContact O-N 2.86Å; K1341-E1529 WeakPolarHBondContact CD-OE2 3.38Å; K1341-E1529 WeakPolarHBondContact CE-OE2 3.3Å; K1341-E1529 IonicContact NZ-OE1 3.77Å; K1341-E1529 IonicContact NZ-OE2 2.77Å; K1341-E1529 PolarHBondContact NZ-OE2 2.93Å
1342N76.4Confident78.4Confident33 Ų3329 Ų2918%0.17614%0.144CC..Hα-helixtrans-63.3-43.3175.8-75.413.8000111.7A1338 V1339 L1344 I1345 E1346 T1739A1338-N1342 PolarHBondContact O-N 2.92Å; A1338-N1342 PolarHBondContact O-OD1 3.29Å; V1339-N1342 PolarHBondContact O-N 2.91Å; N1342-L1344 VanDerWaalsContact C-N 3.29Å; N1342-L1344 PolarHBondContact O-N 3.45Å; N1342-I1345 PolarHBondContact O-N 2.86Å; N1342-E1346 WeakPolarHBondContact O-CB 3.33Å; N1342-E1346 PolarHBondContact O-N 3.45Å; N1342-T1739 HydrophobicContact CB-CG2 3.79Å
1343Q81.8Confident78.1Confident11 Ų1131.5 Ų31.55%0.05116%0.158CC..Hα-helixtrans-57.5-39.5174.9-77.1175.9-33.400112.5V1339 K1347 T1739 F1740V1339-Q1343 WeakPolarHBondContact O-CG 3.5Å; V1339-Q1343 PolarHBondContact O-N 2.91Å; Q1343-K1347 PolarHBondContact O-N 3.22Å; Q1343-K1347 VanDerWaalsContact O-N 3.16Å; Q1343-T1739 HydrophobicContact CG-CG2 3.67Å; Q1343-T1739 PolarHBondContact NE2-O 3.45Å; Q1343-F1740 HydrophobicContact CB-CE1 4.28Å; Q1343-F1740 HydrophobicContact CB-CE2 4.09Å; Q1343-F1740 HydrophobicContact CB-CZ 3.68Å; Q1343-F1740 HydrophobicContact CG-CE1 4.11Å; Q1343-F1740 HydrophobicContact CG-CE2 4.2Å; Q1343-F1740 HydrophobicContact CG-CZ 3.91Å; Q1343-F1740 WeakPolarHBondContact O-CE2 3.48Å
1344L80.7Confident77.8Confident4 Ų437.2 Ų37.22%0.02118%0.184CC..Hα-helixtrans-70.5-44.2177.7-171.560.5000112.5L1340 K1341 N1342 E1346 K1347 E1348 E1529 V1580L1340-L1344 PolarHBondContact O-N 3.31Å; K1341-L1344 PolarHBondContact O-N 3.04Å; N1342-L1344 VanDerWaalsContact C-N 3.29Å; N1342-L1344 PolarHBondContact O-N 3.45Å; L1344-E1346 VanDerWaalsContact C-N 3.31Å; L1344-E1346 PolarHBondContact O-N 3.41Å; L1344-K1347 PolarHBondContact O-N 2.86Å; L1344-E1348 PolarHBondContact O-N 2.9Å; L1344-E1529 HydrophobicContact CD2-CB 3.89Å; L1344-E1529 HydrophobicContact CD2-CG 3.81Å; L1344-V1580 HydrophobicContact CD1-CG1 4.21Å
1345I75.4Confident77.6Confident45 Ų4540 Ų4023%0.23119%0.193CC..Hα-helixtrans-61.5-40.1175.2-67.5166.1000111.1K1341 N1342 K1347 E1348 M1349K1341-I1345 HydrophobicContact CD-CD1 4.49Å; K1341-I1345 HydrophobicContact CG-CD1 3.85Å; K1341-I1345 HydrophobicContact CG-CG1 4.41Å; K1341-I1345 WeakPolarHBondContact O-CG1 3.3Å; K1341-I1345 PolarHBondContact O-N 2.86Å; N1342-I1345 PolarHBondContact O-N 2.86Å; I1345-K1347 VanDerWaalsContact C-N 3.33Å; I1345-K1347 PolarHBondContact O-N 2.97Å; I1345-E1348 PolarHBondContact O-N 3.4Å; I1345-M1349 WeakPolarHBondContact O-CB 3.41Å; I1345-M1349 PolarHBondContact O-N 2.83Å
1346E76.6Confident77.2Confident20 Ų2038.9 Ų38.99%0.09319%0.186CC..Hα-helixtrans-67.2-33.4179.2-161.9-167.813800112N1342 L1344 K1350 T1739 F1740 F1823N1342-E1346 WeakPolarHBondContact O-CB 3.33Å; N1342-E1346 PolarHBondContact O-N 3.45Å; L1344-E1346 VanDerWaalsContact C-N 3.31Å; L1344-E1346 PolarHBondContact O-N 3.41Å; E1346-K1350 WeakPolarHBondContact O-CG 3.09Å; E1346-K1350 PolarHBondContact O-N 3.42Å; E1346-K1350 WeakPolarHBondContact OE1-CE 3.3Å; E1346-K1350 IonicContact OE1-NZ 3.99Å; E1346-K1350 PolarHBondContact OE1-NZ 2.97Å; E1346-T1739 VanDerWaalsContact OE2-CB 3.31Å; E1346-T1739 WeakPolarHBondContact OE2-CB 3.34Å; E1346-T1739 PolarHBondContact OE2-N 3.01Å; E1346-T1739 PolarHBondContact OE2-OG1 2.95Å; E1346-F1740 HydrophobicContact CB-CE2 4.27Å; E1346-F1823 HydrophobicContact CG-CE1 4.42Å
1347K80.3Confident76.9Confident23 Ų2345 Ų4510%0.121%0.213CC..Hα-helixtrans-66.1-55.6170.3179.9172.7174.4176.20111Q1343 L1344 I1345 M1349 K1350 E1351 E1581Q1343-K1347 PolarHBondContact O-N 3.22Å; Q1343-K1347 VanDerWaalsContact O-N 3.16Å; L1344-K1347 PolarHBondContact O-N 2.86Å; I1345-K1347 VanDerWaalsContact C-N 3.33Å; I1345-K1347 PolarHBondContact O-N 2.97Å; K1347-M1349 VanDerWaalsContact C-N 3.27Å; K1347-M1349 PolarHBondContact O-N 2.93Å; K1347-K1350 PolarHBondContact O-N 3.35Å; K1347-K1350 VanDerWaalsContact O-N 3.1Å; K1347-E1351 WeakPolarHBondContact CE-OE1 3.33Å; K1347-E1351 WeakPolarHBondContact CG-OE1 3.36Å; K1347-E1351 IonicContact NZ-OE1 3.31Å; K1347-E1351 WeakPolarHBondContact O-CG 3.48Å; K1347-E1351 PolarHBondContact O-N 2.8Å; K1347-E1351 VanDerWaalsContact O-N 3.13Å; K1347-E1581 IonicContact NZ-OE1 3.87Å; K1347-E1581 PolarHBondContact NZ-OE1 3.42Å
1348E75.4Confident76.6Confident30 Ų3047.7 Ų47.714%0.1424%0.235CC..Hα-helixtrans-58.5-36.6-178-70.2-173.517900112.7L1344 I1345 Q1352 R1528L1344-E1348 PolarHBondContact O-N 2.9Å; I1345-E1348 PolarHBondContact O-N 3.4Å; E1348-Q1352 WeakPolarHBondContact O-CB 3.34Å; E1348-Q1352 WeakPolarHBondContact O-CG 3.34Å; E1348-Q1352 PolarHBondContact O-N 3.41Å; E1348-R1528 IonicContact OE1-CZ 3.6Å; E1348-R1528 IonicContact OE1-NE 2.76Å; E1348-R1528 IonicContact OE1-NH2 2.68Å; E1348-R1528 PolarHBondContact OE1-NH2 3.34Å
1349M73.4Confident76.1Confident42 Ų4249.7 Ų49.721%0.20724%0.243CC..Hα-helixtrans-68.6-37177.6-177.2177.817500112.8I1345 K1347 N1353 F1823I1345-M1349 WeakPolarHBondContact O-CB 3.41Å; I1345-M1349 PolarHBondContact O-N 2.83Å; K1347-M1349 VanDerWaalsContact C-N 3.27Å; K1347-M1349 PolarHBondContact O-N 2.93Å; M1349-N1353 WeakPolarHBondContact CG-ND2 3.19Å; M1349-N1353 PolarHBondContact O-N 2.88Å; M1349-N1353 VanDerWaalsContact O-N 3.12Å; M1349-N1353 PolarHBondContact O-ND2 2.85Å; M1349-F1823 VanDerWaalsContact SD-CA 3.59Å; M1349-F1823 HydrophobicContact SD-CB 3.97Å; M1349-F1823 HydrophobicContact SD-CD1 3.74Å; M1349-F1823 HydrophobicContact SD-CG 4.32Å
1350K77.9Confident75.7Confident101 Ų10152.4 Ų52.444%0.43925%0.252SS..Hα-helixtrans-66-48.5176.4-71.9170.3-171.4170.90110E1346 K1347 Q1352 N1353 E1354E1346-K1350 WeakPolarHBondContact O-CG 3.09Å; E1346-K1350 PolarHBondContact O-N 3.42Å; E1346-K1350 WeakPolarHBondContact OE1-CE 3.3Å; E1346-K1350 IonicContact OE1-NZ 3.99Å; E1346-K1350 PolarHBondContact OE1-NZ 2.97Å; K1347-K1350 PolarHBondContact O-N 3.35Å; K1347-K1350 VanDerWaalsContact O-N 3.1Å; K1350-Q1352 PolarHBondContact O-N 2.9Å; K1350-N1353 PolarHBondContact O-N 3.33Å; K1350-E1354 WeakPolarHBondContact O-CB 3.35Å; K1350-E1354 WeakPolarHBondContact O-CG 3.34Å; K1350-E1354 PolarHBondContact O-N 3.07Å
1351E74.6Confident75.5Confident45 Ų4556.3 Ų56.321%0.2127%0.273CS..Hα-helixtrans-57.3-43.2176.5-66.8171.516700112.6K1347 Q1355 V1424K1347-E1351 WeakPolarHBondContact CE-OE1 3.33Å; K1347-E1351 WeakPolarHBondContact CG-OE1 3.36Å; K1347-E1351 IonicContact NZ-OE1 3.31Å; K1347-E1351 WeakPolarHBondContact O-CG 3.48Å; K1347-E1351 PolarHBondContact O-N 2.8Å; K1347-E1351 VanDerWaalsContact O-N 3.13Å; E1351-Q1355 WeakPolarHBondContact O-CB 3.47Å; E1351-Q1355 VanDerWaalsContact O-CG 3.32Å; E1351-Q1355 WeakPolarHBondContact O-CG 3.49Å; E1351-Q1355 PolarHBondContact O-N 2.74Å; E1351-V1424 VanDerWaalsContact OE2-CG2 3.32Å; E1351-V1424 WeakPolarHBondContact OE2-CG2 3.04Å
1352Q71.3Confident75.1Confident13 Ų1355.5 Ų55.56%0.06127%0.272CS..Hα-helixtrans-62.7-46.7175.2-79.5-176.77.500112.9E1348 K1350 Q1355 Q1356 P1422E1348-Q1352 WeakPolarHBondContact O-CB 3.34Å; E1348-Q1352 WeakPolarHBondContact O-CG 3.34Å; E1348-Q1352 PolarHBondContact O-N 3.41Å; K1350-Q1352 PolarHBondContact O-N 2.9Å; Q1352-Q1355 PolarHBondContact O-N 2.78Å; Q1352-Q1356 PolarHBondContact O-N 3.41Å; Q1352-P1422 HydrophobicContact CG-CG 3.66Å
1353N75.8Confident74.8Confident54 Ų5456.1 Ų56.129%0.28927%0.274SS..Hα-helixtrans-68-37.3-178.5-77.3-62000112.2M1349 K1350 K1357M1349-N1353 WeakPolarHBondContact CG-ND2 3.19Å; M1349-N1353 PolarHBondContact O-N 2.88Å; M1349-N1353 VanDerWaalsContact O-N 3.12Å; M1349-N1353 PolarHBondContact O-ND2 2.85Å; K1350-N1353 PolarHBondContact O-N 3.33Å; N1353-K1357 WeakPolarHBondContact O-CB 3.47Å; N1353-K1357 WeakPolarHBondContact O-CG 3.39Å; N1353-K1357 PolarHBondContact O-N 3.24Å
1354E77.4Confident74.7Confident131 Ų13162.6 Ų62.661%0.61230%0.298SS*.Hα-helixtrans-64.9-45.1173.6-73.8169.1-158.300111.2K1350 K1357 A1358K1350-E1354 WeakPolarHBondContact O-CB 3.35Å; K1350-E1354 WeakPolarHBondContact O-CG 3.34Å; K1350-E1354 PolarHBondContact O-N 3.07Å; E1354-K1357 PolarHBondContact O-N 3.44Å; E1354-A1358 VanDerWaalsContact O-CB 3.29Å; E1354-A1358 WeakPolarHBondContact O-CB 3.19Å; E1354-A1358 PolarHBondContact O-N 2.83Å
1355Q69.6Low74.6Confident81 Ų8170.9 Ų70.938%0.37933%0.329SS..Hα-helixtrans-65.6-38.4176.1-73.3-173.422.900113E1351 Q1352 A1358 K1359E1351-Q1355 WeakPolarHBondContact O-CB 3.47Å; E1351-Q1355 VanDerWaalsContact O-CG 3.32Å; E1351-Q1355 WeakPolarHBondContact O-CG 3.49Å; E1351-Q1355 PolarHBondContact O-N 2.74Å; Q1352-Q1355 PolarHBondContact O-N 2.78Å; Q1355-A1358 PolarHBondContact O-N 2.95Å; Q1355-K1359 WeakPolarHBondContact O-CB 3.41Å; Q1355-K1359 VanDerWaalsContact O-CG 3.32Å; Q1355-K1359 WeakPolarHBondContact O-CG 3.46Å; Q1355-K1359 PolarHBondContact O-N 2.89Å
1356Q67.7Low74.4Confident45 Ų4571.5 Ų71.521%0.2133%0.329CS..Hα-helixtrans-65.2-45.7175-179.3169.3-26.100111.4Q1352 A1358 K1359 F1360 E1955Q1352-Q1356 PolarHBondContact O-N 3.41Å; Q1356-A1358 VanDerWaalsContact C-N 3.32Å; Q1356-A1358 PolarHBondContact O-N 2.93Å; Q1356-K1359 PolarHBondContact O-N 3.5Å; Q1356-F1360 WeakPolarHBondContact O-CB 3.35Å; Q1356-F1360 PolarHBondContact O-N 2.85Å; Q1356-E1955 PolarHBondContact NE2-OE2 2.84Å
1357K76.4Confident74.3Confident146 Ų14671.3 Ų71.364%0.63533%0.329SS*.Hα-helixtrans-61.3-40.6175-73.8176.7179.3-177.50111.9N1353 E1354 F1360 N1361N1353-K1357 WeakPolarHBondContact O-CB 3.47Å; N1353-K1357 WeakPolarHBondContact O-CG 3.39Å; N1353-K1357 PolarHBondContact O-N 3.24Å; E1354-K1357 PolarHBondContact O-N 3.44Å; K1357-F1360 PolarHBondContact O-N 2.81Å; K1357-N1361 WeakPolarHBondContact O-CB 3.35Å; K1357-N1361 VanDerWaalsContact O-CG 3.23Å; K1357-N1361 PolarHBondContact O-N 2.65Å; K1357-N1361 PolarHBondContact O-ND2 3.38Å
1358A77.2Confident74.4Confident57 Ų5774 Ų7447%0.47134%0.342SS..Hα-helixtrans-62.3-48.7174.900000111.7E1354 Q1355 Q1356 F1360 N1361 D1362E1354-A1358 VanDerWaalsContact O-CB 3.29Å; E1354-A1358 WeakPolarHBondContact O-CB 3.19Å; E1354-A1358 PolarHBondContact O-N 2.83Å; Q1355-A1358 PolarHBondContact O-N 2.95Å; Q1356-A1358 VanDerWaalsContact C-N 3.32Å; Q1356-A1358 PolarHBondContact O-N 2.93Å; A1358-F1360 PolarHBondContact O-N 2.93Å; A1358-N1361 PolarHBondContact O-N 2.78Å; A1358-D1362 WeakPolarHBondContact O-CB 3.43Å; A1358-D1362 PolarHBondContact O-N 2.99Å
1359K66.3Low74.6Confident43 Ų4374.3 Ų74.319%0.18735%0.35CS..Hα-helixtrans-64.4-36.8177.6-70.9-175.3-171.1-157.80112.7Q1355 Q1356 I1363 V1417 S1419Q1355-K1359 WeakPolarHBondContact O-CB 3.41Å; Q1355-K1359 VanDerWaalsContact O-CG 3.32Å; Q1355-K1359 WeakPolarHBondContact O-CG 3.46Å; Q1355-K1359 PolarHBondContact O-N 2.89Å; Q1356-K1359 PolarHBondContact O-N 3.5Å; K1359-I1363 WeakPolarHBondContact O-CB 3.04Å; K1359-I1363 WeakPolarHBondContact O-CG1 3.49Å; K1359-I1363 PolarHBondContact O-N 3.19Å; K1359-V1417 HydrophobicContact CD-CG1 4.27Å; K1359-S1419 PolarHBondContact NZ-O 3.03Å
1360F71.4Confident74.6Confident104 Ų10472.8 Ų72.846%0.45634%0.342SS..Hα-helixtrans-66.5-47174.9-174.4-91.3000111.7Q1356 K1357 A1358 D1362 I1363 R1364 L1956Q1356-F1360 WeakPolarHBondContact O-CB 3.35Å; Q1356-F1360 PolarHBondContact O-N 2.85Å; K1357-F1360 PolarHBondContact O-N 2.81Å; A1358-F1360 PolarHBondContact O-N 2.93Å; F1360-D1362 VanDerWaalsContact C-N 3.33Å; F1360-D1362 PolarHBondContact O-N 2.73Å; F1360-I1363 PolarHBondContact O-N 3.46Å; F1360-R1364 WeakPolarHBondContact O-CB 3.5Å; F1360-R1364 PolarHBondContact O-N 2.8Å; F1360-L1956 HydrophobicContact CD2-CD1 4.38Å
1361N78.4Confident74.7Confident83 Ų8374.6 Ų74.644%0.44435%0.346SS..Hα-helixtrans-63.3-38.4176.1-73.4-23.5000112.3K1357 A1358 R1365K1357-N1361 WeakPolarHBondContact O-CB 3.35Å; K1357-N1361 VanDerWaalsContact O-CG 3.23Å; K1357-N1361 PolarHBondContact O-N 2.65Å; K1357-N1361 PolarHBondContact O-ND2 3.38Å; A1358-N1361 PolarHBondContact O-N 2.78Å; N1361-R1365 WeakPolarHBondContact O-CB 3.45Å; N1361-R1365 WeakPolarHBondContact O-CD 3.4Å; N1361-R1365 WeakPolarHBondContact O-CG 3.01Å; N1361-R1365 PolarHBondContact O-N 2.97Å
1362D73.5Confident75.1Confident55 Ų5577.5 Ų77.529%0.29436%0.36SS..Hα-helixtrans-64.1-49.9173.6176.723.2000111.2A1358 F1360 R1364 R1365 R1366A1358-D1362 WeakPolarHBondContact O-CB 3.43Å; A1358-D1362 PolarHBondContact O-N 2.99Å; F1360-D1362 VanDerWaalsContact C-N 3.33Å; F1360-D1362 PolarHBondContact O-N 2.73Å; D1362-R1364 VanDerWaalsContact C-N 3.34Å; D1362-R1364 PolarHBondContact O-N 2.9Å; D1362-R1365 CarbonylContact O-C 3.52Å; D1362-R1365 WeakPolarHBondContact O-CB 3.29Å; D1362-R1365 PolarHBondContact O-N 2.98Å; D1362-R1365 VanDerWaalsContact O-N 3.16Å; D1362-R1366 VanDerWaalsContact CG-NE 3.26Å; D1362-R1366 VanDerWaalsContact O-CG 3.27Å; D1362-R1366 WeakPolarHBondContact O-CG 3.34Å; D1362-R1366 PolarHBondContact O-N 2.83Å; D1362-R1366 IonicContact OD1-CZ 2.65Å; D1362-R1366 IonicContact OD1-NE 3.83Å; D1362-R1366 PolarHBondContact OD1-NE 2.94Å; D1362-R1366 IonicContact OD1-NH2 2.68Å; D1362-R1366 IonicContact OD2-CZ 3.07Å; D1362-R1366 VanDerWaalsContact OD2-CZ 3.3Å; D1362-R1366 IonicContact OD2-NE 2.73Å; D1362-R1366 PolarHBondContact OD2-NE 3.01Å; D1362-R1366 IonicContact OD2-NH2 3.51Å; D1362-R1366 PolarHBondContact OD2-NH2 3.08Å
1363I70.5Confident75.2Confident45 Ų4580.9 Ų80.923%0.23137%0.372CS..Hα-helixtrans-63.9-37.1178.1-74.8169.1000112.4K1359 F1360 R1366 T1367 L1956 L2401K1359-I1363 WeakPolarHBondContact O-CB 3.04Å; K1359-I1363 WeakPolarHBondContact O-CG1 3.49Å; K1359-I1363 PolarHBondContact O-N 3.19Å; F1360-I1363 PolarHBondContact O-N 3.46Å; I1363-R1366 PolarHBondContact O-N 2.75Å; I1363-T1367 PolarHBondContact O-N 2.9Å; I1363-T1367 PolarHBondContact O-OG1 3.45Å; I1363-L1956 HydrophobicContact CD1-CD2 3.34Å; I1363-L1956 HydrophobicContact CG2-CD2 4.35Å; I1363-L2401 HydrophobicContact CG1-CD1 4.15Å; I1363-L2401 HydrophobicContact CG2-CD1 4.12Å; I1363-L2401 HydrophobicContact CG2-CD2 4.29Å; I1363-L2401 HydrophobicContact CG2-CG 3.97Å
1364R78.2Confident75Confident148 Ų14879.4 Ų79.456%0.55836%0.363SS*.Hα-helixtrans-59.4-53.1170.2177.5174.1174166.52.8111.2F1360 D1362 R1366 T1367 E1368F1360-R1364 WeakPolarHBondContact O-CB 3.5Å; F1360-R1364 PolarHBondContact O-N 2.8Å; D1362-R1364 VanDerWaalsContact C-N 3.34Å; D1362-R1364 PolarHBondContact O-N 2.9Å; R1364-R1366 VanDerWaalsContact C-N 3.28Å; R1364-R1366 PolarHBondContact O-N 2.88Å; R1364-T1367 WeakPolarHBondContact O-CB 3.22Å; R1364-T1367 PolarHBondContact O-N 2.98Å; R1364-T1367 VanDerWaalsContact O-N 3.13Å; R1364-E1368 HydrophobicContact CG-CG 4.49Å; R1364-E1368 WeakPolarHBondContact CG-OE1 3.34Å; R1364-E1368 IonicContact CZ-OE1 2.66Å; R1364-E1368 IonicContact NE-OE1 2.71Å; R1364-E1368 PolarHBondContact NE-OE1 2.89Å; R1364-E1368 IonicContact NH2-OE1 3.16Å; R1364-E1368 PolarHBondContact NH2-OE1 3.24Å; R1364-E1368 WeakPolarHBondContact O-CG 3.32Å; R1364-E1368 PolarHBondContact O-N 3.29Å
1365R79.7Confident75Confident178 Ų17877.5 Ų77.567%0.67235%0.354SS*.Hα-helixtrans-58.1-37.3175.9-74.3167.7178.2-174.8-0.7112.5N1361 D1362 A1369N1361-R1365 WeakPolarHBondContact O-CB 3.45Å; N1361-R1365 WeakPolarHBondContact O-CD 3.4Å; N1361-R1365 WeakPolarHBondContact O-CG 3.01Å; N1361-R1365 PolarHBondContact O-N 2.97Å; D1362-R1365 CarbonylContact O-C 3.52Å; D1362-R1365 WeakPolarHBondContact O-CB 3.29Å; D1362-R1365 PolarHBondContact O-N 2.98Å; D1362-R1365 VanDerWaalsContact O-N 3.16Å; R1365-A1369 WeakPolarHBondContact O-CB 3.31Å; R1365-A1369 PolarHBondContact O-N 3.19Å
1366R70.6Confident75.3Confident58 Ų5878.4 Ų78.422%0.21936%0.356CS..Hα-helixtrans-64.5-48174.7-70.8171.9-166-147.76.5110.9D1362 I1363 R1364 E1368 A1369 I1370 L2401D1362-R1366 VanDerWaalsContact CG-NE 3.26Å; D1362-R1366 VanDerWaalsContact O-CG 3.27Å; D1362-R1366 WeakPolarHBondContact O-CG 3.34Å; D1362-R1366 PolarHBondContact O-N 2.83Å; D1362-R1366 IonicContact OD1-CZ 2.65Å; D1362-R1366 IonicContact OD1-NE 3.83Å; D1362-R1366 PolarHBondContact OD1-NE 2.94Å; D1362-R1366 IonicContact OD1-NH2 2.68Å; D1362-R1366 IonicContact OD2-CZ 3.07Å; D1362-R1366 VanDerWaalsContact OD2-CZ 3.3Å; D1362-R1366 IonicContact OD2-NE 2.73Å; D1362-R1366 PolarHBondContact OD2-NE 3.01Å; D1362-R1366 IonicContact OD2-NH2 3.51Å; D1362-R1366 PolarHBondContact OD2-NH2 3.08Å; I1363-R1366 PolarHBondContact O-N 2.75Å; R1364-R1366 VanDerWaalsContact C-N 3.28Å; R1364-R1366 PolarHBondContact O-N 2.88Å; R1366-E1368 PolarHBondContact O-N 3.1Å; R1366-A1369 CarbonylContact O-C 3.24Å; R1366-A1369 PolarHBondContact O-N 3.47Å; R1366-I1370 WeakPolarHBondContact O-CB 3.4Å; R1366-I1370 WeakPolarHBondContact O-CD1 3.48Å; R1366-I1370 WeakPolarHBondContact O-CG1 3.5Å; R1366-I1370 PolarHBondContact O-N 2.9Å; R1366-L2401 HydrophobicContact CB-CD1 4.2Å
1367T75.4Confident75.5Confident16 Ų1677.3 Ų77.310%0.09835%0.351CS..Hα-helixtrans-58.8-48.4177.1-47.30000110.8I1363 R1364 A1369 I1370 R1371 L2401 A2405I1363-T1367 PolarHBondContact O-N 2.9Å; I1363-T1367 PolarHBondContact O-OG1 3.45Å; R1364-T1367 WeakPolarHBondContact O-CB 3.22Å; R1364-T1367 PolarHBondContact O-N 2.98Å; R1364-T1367 VanDerWaalsContact O-N 3.13Å; T1367-A1369 PolarHBondContact O-N 2.93Å; T1367-I1370 PolarHBondContact O-N 2.85Å; T1367-R1371 WeakPolarHBondContact O-CB 3.34Å; T1367-R1371 PolarHBondContact O-N 3.49Å; T1367-L2401 VanDerWaalsContact OG1-CD2 3.23Å; T1367-L2401 WeakPolarHBondContact OG1-CD2 3.19Å; T1367-A2405 HydrophobicContact CG2-CB 3.97Å
1368E81.7Confident75.1Confident80 Ų8072.4 Ų72.437%0.37433%0.332SS..Hα-helixtrans-58.7-46.7176.2-69.7164.7168.500110.9R1364 R1366 R1371 E1372R1364-E1368 HydrophobicContact CG-CG 4.49Å; R1364-E1368 WeakPolarHBondContact CG-OE1 3.34Å; R1364-E1368 IonicContact CZ-OE1 2.66Å; R1364-E1368 IonicContact NE-OE1 2.71Å; R1364-E1368 PolarHBondContact NE-OE1 2.89Å; R1364-E1368 IonicContact NH2-OE1 3.16Å; R1364-E1368 PolarHBondContact NH2-OE1 3.24Å; R1364-E1368 WeakPolarHBondContact O-CG 3.32Å; R1364-E1368 PolarHBondContact O-N 3.29Å; R1366-E1368 PolarHBondContact O-N 3.1Å; E1368-R1371 PolarHBondContact O-N 3.41Å; E1368-E1372 PolarHBondContact O-N 3.26Å
1369A79.1Confident75Confident36 Ų3675.2 Ų75.230%0.29834%0.335SS..Hα-helixtrans-72.1-26.3178.400000114.7R1365 R1366 T1367 R1373R1365-A1369 WeakPolarHBondContact O-CB 3.31Å; R1365-A1369 PolarHBondContact O-N 3.19Å; R1366-A1369 CarbonylContact O-C 3.24Å; R1366-A1369 PolarHBondContact O-N 3.47Å; T1367-A1369 PolarHBondContact O-N 2.93Å; A1369-R1373 WeakPolarHBondContact O-CB 3.15Å; A1369-R1373 WeakPolarHBondContact O-CG 3.39Å; A1369-R1373 PolarHBondContact O-N 2.89Å; A1369-R1373 VanDerWaalsContact O-N 3.09Å; A1369-R1373 PolarHBondContact O-NE 3.45Å
1370I73.4Confident75.1Confident9 Ų982.4 Ų82.45%0.04636%0.361CS..Hα-helixtrans-72.8-46.3171.3-65.7157.9000108.9R1366 T1367 E1372 R1373 Y1374 D2398 L2401 L2410 L2414R1366-I1370 WeakPolarHBondContact O-CB 3.4Å; R1366-I1370 WeakPolarHBondContact O-CD1 3.48Å; R1366-I1370 WeakPolarHBondContact O-CG1 3.5Å; R1366-I1370 PolarHBondContact O-N 2.9Å; T1367-I1370 PolarHBondContact O-N 2.85Å; I1370-E1372 PolarHBondContact O-N 3.49Å; I1370-R1373 PolarHBondContact O-N 3.45Å; I1370-Y1374 WeakPolarHBondContact O-CB 3.41Å; I1370-Y1374 PolarHBondContact O-N 2.99Å; I1370-D2398 HydrophobicContact CD1-CB 4.04Å; I1370-D2398 WeakPolarHBondContact CD1-OD1 3.39Å; I1370-L2401 HydrophobicContact CD1-CD2 4.31Å; I1370-L2410 HydrophobicContact CG2-CD1 4.26Å; I1370-L2410 HydrophobicContact CG2-CD2 3.98Å; I1370-L2410 HydrophobicContact CG2-CG 4.41Å; I1370-L2414 HydrophobicContact CG2-CD1 4.13Å; I1370-L2414 HydrophobicContact CG2-CD2 4.42Å
1371R80.9Confident74.9Confident140 Ų14077.5 Ų77.553%0.52834%0.339SS..Hα-helixtrans-58-46.1175.1-171.5-174.5-74.9171.7-6.1111.3T1367 E1368 Y1374 Q1375 D2407 L2410T1367-R1371 WeakPolarHBondContact O-CB 3.34Å; T1367-R1371 PolarHBondContact O-N 3.49Å; E1368-R1371 PolarHBondContact O-N 3.41Å; R1371-Y1374 PolarHBondContact O-N 3.38Å; R1371-Q1375 WeakPolarHBondContact O-CB 3.47Å; R1371-Q1375 PolarHBondContact O-N 2.87Å; R1371-D2407 IonicContact CZ-OD2 2.94Å; R1371-D2407 VanDerWaalsContact CZ-OD2 3.26Å; R1371-D2407 IonicContact NE-OD2 3.3Å; R1371-D2407 PolarHBondContact NE-OD2 3.38Å; R1371-D2407 IonicContact NH2-OD2 3.5Å; R1371-D2407 PolarHBondContact NH2-OD2 3.06Å; R1371-L2410 HydrophobicContact CB-CD2 4.24Å
1372E81.9Confident74.3Confident106 Ų10676.5 Ų76.550%0.49534%0.343SS..Hα-helixtrans-59.2-46.7172.9-85.3-165.2-142.500113.2E1368 I1370 Y1374 Q1375 K1376E1368-E1372 PolarHBondContact O-N 3.26Å; I1370-E1372 PolarHBondContact O-N 3.49Å; E1372-Y1374 VanDerWaalsContact C-N 3.3Å; E1372-Y1374 PolarHBondContact O-N 3.42Å; E1372-Q1375 PolarHBondContact O-N 2.89Å; E1372-K1376 WeakPolarHBondContact O-CB 3.34Å; E1372-K1376 WeakPolarHBondContact O-CD 3.37Å; E1372-K1376 VanDerWaalsContact O-CG 3.24Å; E1372-K1376 WeakPolarHBondContact O-CG 3.44Å; E1372-K1376 PolarHBondContact O-N 2.88Å; E1372-K1376 IonicContact OE2-NZ 2.54Å; E1372-K1376 PolarHBondContact OE2-NZ 3.3Å
1373R73.6Confident73.9Confident84 Ų8478.6 Ų78.632%0.31737%0.368SS..Hα-helixtrans-63.5-37.5178.9-85.4174.6-71.5-167-5.8111.7A1369 I1370 Q1377 D1411A1369-R1373 WeakPolarHBondContact O-CB 3.15Å; A1369-R1373 WeakPolarHBondContact O-CG 3.39Å; A1369-R1373 PolarHBondContact O-N 2.89Å; A1369-R1373 VanDerWaalsContact O-N 3.09Å; A1369-R1373 PolarHBondContact O-NE 3.45Å; I1370-R1373 PolarHBondContact O-N 3.45Å; R1373-Q1377 VanDerWaalsContact O-CG 3.29Å; R1373-Q1377 WeakPolarHBondContact O-CG 3.45Å; R1373-Q1377 PolarHBondContact O-N 3.02Å; R1373-D1411 IonicContact CZ-OD1 2.6Å; R1373-D1411 IonicContact NH1-OD1 2.99Å; R1373-D1411 PolarHBondContact NH1-OD1 3.33Å
1374Y71.7Confident73.5Confident23 Ų2381.6 Ų81.69%0.0938%0.381CS..Hα-helixtrans-71.1-42.6177.1-163.5-104.3000111.8I1370 R1371 E1372 K1376 Q1377 I1378 M1403 L2410 D2413I1370-Y1374 WeakPolarHBondContact O-CB 3.41Å; I1370-Y1374 PolarHBondContact O-N 2.99Å; R1371-Y1374 PolarHBondContact O-N 3.38Å; E1372-Y1374 VanDerWaalsContact C-N 3.3Å; E1372-Y1374 PolarHBondContact O-N 3.42Å; Y1374-K1376 VanDerWaalsContact C-N 3.33Å; Y1374-K1376 PolarHBondContact O-N 3.07Å; Y1374-Q1377 CarbonylContact O-C 3.55Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.27Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.36Å; Y1374-Q1377 PolarHBondContact O-N 2.91Å; Y1374-I1378 HydrophobicContact CD1-CD1 3.66Å; Y1374-I1378 HydrophobicContact CD1-CG1 4.15Å; Y1374-I1378 HydrophobicContact CE1-CD1 3.6Å; Y1374-I1378 HydrophobicContact CE1-CG1 3.86Å; Y1374-I1378 PolarHBondContact O-N 2.75Å; Y1374-M1403 HydrophobicContact CE2-SD 4.04Å; Y1374-L2410 HydrophobicContact CD1-CD1 4.23Å; Y1374-L2410 HydrophobicContact CG-CD1 4.01Å; Y1374-D2413 HydrophobicContact CD1-CB 4.4Å; Y1374-D2413 HydrophobicContact CE1-CB 3.66Å; Y1374-D2413 VanDerWaalsContact CE1-OD2 3.27Å; Y1374-D2413 WeakPolarHBondContact CE1-OD2 3.48Å; Y1374-D2413 HydrophobicContact CE2-CB 4.11Å
1375Q78.2Confident72.5Confident91 Ų9178 Ų7843%0.42537%0.367SS..Hα-helixtrans-58.1-43.8172.4-176.56028.200111.9R1371 E1372 Q1377 I1378 E1379R1371-Q1375 WeakPolarHBondContact O-CB 3.47Å; R1371-Q1375 PolarHBondContact O-N 2.87Å; E1372-Q1375 PolarHBondContact O-N 2.89Å; Q1375-Q1377 VanDerWaalsContact C-N 3.25Å; Q1375-Q1377 PolarHBondContact O-N 3.34Å; Q1375-I1378 WeakPolarHBondContact O-CB 3.41Å; Q1375-I1378 PolarHBondContact O-N 3.31Å; Q1375-E1379 WeakPolarHBondContact CG-OE1 3.39Å; Q1375-E1379 PolarHBondContact NE2-OE1 2.73Å; Q1375-E1379 WeakPolarHBondContact O-CG 3.3Å; Q1375-E1379 PolarHBondContact O-N 3.24Å
1376K76.4Confident71.6Confident99 Ų9977.9 Ų77.943%0.4338%0.38SS..Hα-helixtrans-67.1-22.8174.1-69.6161.3-177.3170.20113.1E1372 Y1374 R1380E1372-K1376 WeakPolarHBondContact O-CB 3.34Å; E1372-K1376 WeakPolarHBondContact O-CD 3.37Å; E1372-K1376 VanDerWaalsContact O-CG 3.24Å; E1372-K1376 WeakPolarHBondContact O-CG 3.44Å; E1372-K1376 PolarHBondContact O-N 2.88Å; E1372-K1376 IonicContact OE2-NZ 2.54Å; E1372-K1376 PolarHBondContact OE2-NZ 3.3Å; Y1374-K1376 VanDerWaalsContact C-N 3.33Å; Y1374-K1376 PolarHBondContact O-N 3.07Å; K1376-R1380 WeakPolarHBondContact O-CD 3.12Å; K1376-R1380 VanDerWaalsContact O-CG 3.23Å; K1376-R1380 WeakPolarHBondContact O-CG 3.43Å; K1376-R1380 PolarHBondContact O-N 2.85Å
1377Q70.9Confident71.4Confident23 Ų2381.1 Ų81.111%0.10740%0.396CS..Hα-helixtrans-81-36.3171.3-75.616635.700111.7R1373 Y1374 Q1375 G1381R1373-Q1377 VanDerWaalsContact O-CG 3.29Å; R1373-Q1377 WeakPolarHBondContact O-CG 3.45Å; R1373-Q1377 PolarHBondContact O-N 3.02Å; Y1374-Q1377 CarbonylContact O-C 3.55Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.27Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.36Å; Y1374-Q1377 PolarHBondContact O-N 2.91Å; Q1375-Q1377 VanDerWaalsContact C-N 3.25Å; Q1375-Q1377 PolarHBondContact O-N 3.34Å; Q1377-G1381 PolarHBondContact O-N 2.69Å
1378I68.5Low71.1Confident43 Ų4387.4 Ų87.422%0.22142%0.424CS..Hα-helixtrans-58.2-53169.5-73.1162.2000110.2Y1374 Q1375 R1380 G1381 A1382Y1374-I1378 HydrophobicContact CD1-CD1 3.66Å; Y1374-I1378 HydrophobicContact CD1-CG1 4.15Å; Y1374-I1378 HydrophobicContact CE1-CD1 3.6Å; Y1374-I1378 HydrophobicContact CE1-CG1 3.86Å; Y1374-I1378 PolarHBondContact O-N 2.75Å; Q1375-I1378 WeakPolarHBondContact O-CB 3.41Å; Q1375-I1378 PolarHBondContact O-N 3.31Å; I1378-R1380 PolarHBondContact O-N 3.05Å; I1378-G1381 CarbonylContact O-C 3.55Å; I1378-G1381 PolarHBondContact O-N 2.94Å; I1378-G1381 VanDerWaalsContact O-N 3.12Å; I1378-A1382 PolarHBondContact O-N 3.18Å
1379E74.8Confident70.7Confident115 Ų11585.5 Ų85.554%0.53742%0.418SS..Hα-helixtrans-62.7-40.5-176.2-72.9162-171.800112.5Q1375 A1382Q1375-E1379 WeakPolarHBondContact CG-OE1 3.39Å; Q1375-E1379 PolarHBondContact NE2-OE1 2.73Å; Q1375-E1379 WeakPolarHBondContact O-CG 3.3Å; Q1375-E1379 PolarHBondContact O-N 3.24Å; E1379-A1382 WeakPolarHBondContact O-CB 3.35Å; E1379-A1382 PolarHBondContact O-N 3.03Å
1380R68.8Low70.7Confident195 Ų19590 Ų9074%0.73644%0.442SS*.Hα-helixtrans-69.3-35.1173.8-71.7173.5-177.5-1690.7112.7K1376 I1378 A1382K1376-R1380 WeakPolarHBondContact O-CD 3.12Å; K1376-R1380 VanDerWaalsContact O-CG 3.23Å; K1376-R1380 WeakPolarHBondContact O-CG 3.43Å; K1376-R1380 PolarHBondContact O-N 2.85Å; I1378-R1380 PolarHBondContact O-N 3.05Å; R1380-A1382 VanDerWaalsContact C-N 3.33Å
1381G67Low71.1Confident0 Ų092.7 Ų92.70%046%0.459CS..Hα-helixtrans-76-16.3177.300000114.3Q1377 I1378 A1383 E1384 R1385Q1377-G1381 PolarHBondContact O-N 2.69Å; I1378-G1381 CarbonylContact O-C 3.55Å; I1378-G1381 PolarHBondContact O-N 2.94Å; I1378-G1381 VanDerWaalsContact O-N 3.12Å; G1381-A1383 PolarHBondContact O-N 3.02Å; G1381-A1383 VanDerWaalsContact O-N 3.08Å; G1381-E1384 CarbonylContact O-C 3.58Å; G1381-E1384 PolarHBondContact O-N 2.76Å; G1381-R1385 WeakPolarHBondContact O-CG 3.41Å; G1381-R1385 PolarHBondContact O-N 3.15Å
1382A64.7Low71.3Confident63 Ų6388.8 Ų88.852%0.52145%0.445SS..G310 helixtrans-59.4-23.6-175.200000114.4I1378 E1379 R1380 E1384I1378-A1382 PolarHBondContact O-N 3.18Å; E1379-A1382 WeakPolarHBondContact O-CB 3.35Å; E1379-A1382 PolarHBondContact O-N 3.03Å; R1380-A1382 VanDerWaalsContact C-N 3.33Å; A1382-E1384 VanDerWaalsContact C-N 3.34Å
1383A65.4Low71.3Confident99 Ų9984.8 Ų84.882%0.81843%0.432SS*.G310 helixtrans-80.7-9.9174.300000114.4G1381G1381-A1383 PolarHBondContact O-N 3.02Å; G1381-A1383 VanDerWaalsContact O-N 3.08Å
1384E61.5Low71.8Confident108 Ų10884.1 Ų84.151%0.50543%0.433SS..G310 helixtrans-119.711.5-179.8-61.7-177.514000112G1381 A1382 Y1402 K1405G1381-E1384 CarbonylContact O-C 3.58Å; G1381-E1384 PolarHBondContact O-N 2.76Å; A1382-E1384 VanDerWaalsContact C-N 3.34Å; E1384-Y1402 WeakPolarHBondContact OE2-CB 3.44Å; E1384-K1405 IonicContact OE1-NZ 3.34Å; E1384-K1405 PolarHBondContact OE1-NZ 2.85Å; E1384-K1405 IonicContact OE2-NZ 2.73Å; E1384-K1405 PolarHBondContact OE2-NZ 2.66Å
1385R58.2Low72.2Confident71 Ų7183.3 Ų83.327%0.26843%0.431SS..  trans-106.3108.5-174.6-83.3175.9174.4-152.9-3113.2G1381 Y1402G1381-R1385 WeakPolarHBondContact O-CG 3.41Å; G1381-R1385 PolarHBondContact O-N 3.15Å; R1385-Y1402 HydrophobicContact CG-CE1 4.39Å; R1385-Y1402 PolarHBondContact NE-OH 3.19Å; R1385-Y1402 VanDerWaalsContact NE-OH 3.08Å; R1385-Y1402 PolarHBondContact NH2-OH 2.94Å
1386D60.8Low72.5Confident176 Ų17682 Ų8294%0.94142%0.424SS*.SBendtrans-86.3-7.6168.5-71.8-31.7000114.1
1387F67.3Low72.7Confident126 Ų12686 Ų8655%0.55344%0.436SS*.  trans-150.5132.9-166.6-174.3-111.5000113.7H1394F1387-H1394 HydrophobicContact CE1-CB 3.88Å; F1387-H1394 AromaticContact CE1-CG 3.93Å; F1387-H1394 HydrophobicContact CZ-CB 4.2Å; F1387-H1394 AromaticContact CZ-CE1 3.85Å; F1387-H1394 AromaticContact CZ-CG 3.73Å; F1387-H1394 AromaticContact CZ-ND1 3.48Å; F1387-H1394 WeakPolarHBondContact CZ-ND1 3.46Å
1388E69.1Low73.1Confident149 Ų14986.4 Ų86.470%0.69644%0.443SS*.  trans-109.3130.3177-170.5170.1-144.800111.6V1390E1388-V1390 PolarHBondContact O-N 3.07Å
1389P71.7Confident73.6Confident39 Ų3985 Ų8525%0.25344%0.439SS..  trans-83.583.9-169.531.5-35.5000114.8T1391 H1394 A1395 A1398P1389-T1391 PolarHBondContact O-N 3.35Å; P1389-T1391 VanDerWaalsContact O-N 3.16Å; P1389-H1394 HydrophobicContact CB-CB 3.68Å; P1389-A1395 VanDerWaalsContact CB-CA 3.48Å; P1389-A1395 HydrophobicContact CB-CB 4.02Å; P1389-A1395 VanDerWaalsContact CB-N 3.32Å; P1389-A1395 HydrophobicContact CG-CB 4.44Å; P1389-A1398 HydrophobicContact CB-CB 4.03Å; P1389-A1398 HydrophobicContact CG-CB 4.04Å
1390V80.4Confident73.8Confident130 Ų13082.1 Ų82.179%0.78843%0.427SS*.  trans-65.3-15178.2-172.50000114.8E1388E1388-V1390 PolarHBondContact O-N 3.07Å
1391T82.4Confident74.3Confident67 Ų6778.7 Ų78.741%0.41142%0.415SS..SBendtrans-130.5155.3-178.675.30000111.9P1389 G1393 H1394 A1395P1389-T1391 PolarHBondContact O-N 3.35Å; P1389-T1391 VanDerWaalsContact O-N 3.16Å; T1391-G1393 PolarHBondContact O-N 3.19Å; T1391-G1393 VanDerWaalsContact O-N 3.15Å; T1391-H1394 CarbonylContact O-C 3.54Å; T1391-H1394 WeakPolarHBondContact O-CA 3.34Å; T1391-H1394 WeakPolarHBondContact O-CB 3.47Å; T1391-H1394 PolarHBondContact O-N 2.77Å; T1391-H1394 PolarHBondContact OG1-CD2 3.04Å; T1391-H1394 VanDerWaalsContact OG1-CD2 3.25Å; T1391-H1394 PolarHBondContact OG1-N 2.96Å; T1391-A1395 PolarHBondContact O-N 3.28Å
1392Y83.2Confident74.9Confident57 Ų5779.9 Ų79.922%0.22442%0.42CS..Hα-helixtrans-50.6-40.4172.8176.2-96.7000112.4H1394 A1395 K1396 P2000 D2003 Q2412Y1392-H1394 VanDerWaalsContact C-N 3.26Å; Y1392-H1394 PolarHBondContact O-N 3.44Å; Y1392-A1395 PolarHBondContact O-N 2.95Å; Y1392-K1396 HydrophobicContact CE1-CD 4.05Å; Y1392-K1396 VanDerWaalsContact O-CB 3.27Å; Y1392-K1396 WeakPolarHBondContact O-CB 3.47Å; Y1392-K1396 PolarHBondContact O-N 2.98Å; Y1392-P2000 HydrophobicContact CD1-CG 4.38Å; Y1392-P2000 HydrophobicContact CE1-CG 3.59Å; Y1392-P2000 WeakPolarHBondContact OH-CD 3.31Å; Y1392-D2003 WeakPolarHBondContact OH-CB 3.41Å; Y1392-D2003 VanDerWaalsContact OH-CG 3.29Å; Y1392-D2003 PolarHBondContact OH-OD2 3.02Å; Y1392-Q2412 HydrophobicContact CD2-CG 3.92Å; Y1392-Q2412 HydrophobicContact CE2-CG 4.05Å
1393G82.4Confident75.4Confident23 Ų2377 Ų7724%0.23740%0.395CS..Hα-helixtrans-67.3-23.5176.800000114T1391 R1397T1391-G1393 PolarHBondContact O-N 3.19Å; T1391-G1393 VanDerWaalsContact O-N 3.15Å; G1393-R1397 WeakPolarHBondContact O-CD 3.44Å; G1393-R1397 WeakPolarHBondContact O-CG 3.29Å; G1393-R1397 PolarHBondContact O-NH1 3.36Å
1394H84.5Confident75.9Confident70 Ų7073.3 Ų73.332%0.32436%0.361SS..Hα-helixtrans-82.6-47.8170.4-60.9175.3000110.6F1387 P1389 T1391 Y1392 K1396 R1397 A1398F1387-H1394 HydrophobicContact CE1-CB 3.88Å; F1387-H1394 AromaticContact CE1-CG 3.93Å; F1387-H1394 HydrophobicContact CZ-CB 4.2Å; F1387-H1394 AromaticContact CZ-CE1 3.85Å; F1387-H1394 AromaticContact CZ-CG 3.73Å; F1387-H1394 AromaticContact CZ-ND1 3.48Å; F1387-H1394 WeakPolarHBondContact CZ-ND1 3.46Å; P1389-H1394 HydrophobicContact CB-CB 3.68Å; T1391-H1394 CarbonylContact O-C 3.54Å; T1391-H1394 WeakPolarHBondContact O-CA 3.34Å; T1391-H1394 WeakPolarHBondContact O-CB 3.47Å; T1391-H1394 PolarHBondContact O-N 2.77Å; T1391-H1394 PolarHBondContact OG1-CD2 3.04Å; T1391-H1394 VanDerWaalsContact OG1-CD2 3.25Å; T1391-H1394 PolarHBondContact OG1-N 2.96Å; Y1392-H1394 VanDerWaalsContact C-N 3.26Å; Y1392-H1394 PolarHBondContact O-N 3.44Å; H1394-K1396 PolarHBondContact O-N 3.48Å; H1394-R1397 CarbonylContact O-C 3.58Å; H1394-R1397 WeakPolarHBondContact O-CA 3.35Å; H1394-R1397 PolarHBondContact O-N 3.06Å; H1394-A1398 WeakPolarHBondContact O-CB 3.46Å; H1394-A1398 PolarHBondContact O-N 3.42Å
1395A80.6Confident76.4Confident6 Ų674.4 Ų74.45%0.0536%0.364CS..Hα-helixtrans-56.5-49.9-178.200000111.5P1389 T1391 Y1392 R1397 A1398 A2416P1389-A1395 VanDerWaalsContact CB-CA 3.48Å; P1389-A1395 HydrophobicContact CB-CB 4.02Å; P1389-A1395 VanDerWaalsContact CB-N 3.32Å; P1389-A1395 HydrophobicContact CG-CB 4.44Å; T1391-A1395 PolarHBondContact O-N 3.28Å; Y1392-A1395 PolarHBondContact O-N 2.95Å; A1395-R1397 PolarHBondContact O-N 3.11Å; A1395-A1398 PolarHBondContact O-N 2.69Å; A1395-A2416 WeakPolarHBondContact O-CB 3.44Å
1396K83.5Confident77.1Confident63 Ų6373.2 Ų73.227%0.27436%0.36SS..THydrogen-bonded Turntrans-52.9-22.6173.1-175.9177.5-178.6-179.70114.6Y1392 H1394 D2003 I2419Y1392-K1396 HydrophobicContact CE1-CD 4.05Å; Y1392-K1396 VanDerWaalsContact O-CB 3.27Å; Y1392-K1396 WeakPolarHBondContact O-CB 3.47Å; Y1392-K1396 PolarHBondContact O-N 2.98Å; H1394-K1396 PolarHBondContact O-N 3.48Å; K1396-D2003 WeakPolarHBondContact CE-OD1 3.48Å; K1396-D2003 WeakPolarHBondContact CE-OD2 3.46Å; K1396-D2003 IonicContact NZ-OD1 3.73Å; K1396-D2003 PolarHBondContact NZ-OD1 3.32Å; K1396-D2003 IonicContact NZ-OD2 2.73Å; K1396-D2003 PolarHBondContact NZ-OD2 3.2Å; K1396-I2419 HydrophobicContact CD-CD1 4.42Å; K1396-I2419 HydrophobicContact CG-CD1 3.94Å
1397R82.2Confident77.4Confident184 Ų18469 Ų6969%0.69434%0.337SS*.THydrogen-bonded Turntrans-107.7-8-179.1-66.1-178.1176.398.1-9.4113.9G1393 H1394 A1395 G1399G1393-R1397 WeakPolarHBondContact O-CD 3.44Å; G1393-R1397 WeakPolarHBondContact O-CG 3.29Å; G1393-R1397 PolarHBondContact O-NH1 3.36Å; H1394-R1397 CarbonylContact O-C 3.58Å; H1394-R1397 WeakPolarHBondContact O-CA 3.35Å; H1394-R1397 PolarHBondContact O-N 3.06Å; A1395-R1397 PolarHBondContact O-N 3.11Å; R1397-G1399 VanDerWaalsContact C-N 3.32Å; R1397-G1399 PolarHBondContact O-N 3.06Å
1398A79.1Confident77.4Confident31 Ų3164.1 Ų64.126%0.25632%0.318SS..  trans-85.53.2-173.500000114.5P1389 H1394 A1395P1389-A1398 HydrophobicContact CB-CB 4.03Å; P1389-A1398 HydrophobicContact CG-CB 4.04Å; H1394-A1398 WeakPolarHBondContact O-CB 3.46Å; H1394-A1398 PolarHBondContact O-N 3.42Å; A1395-A1398 PolarHBondContact O-N 2.69Å
1399G77.8Confident77Confident12 Ų1262 Ų6212%0.12431%0.309CS..  trans-66.7135.2170.600000111.4R1397 M1403 F2420R1397-G1399 VanDerWaalsContact C-N 3.32Å; R1397-G1399 PolarHBondContact O-N 3.06Å; G1399-M1403 VanDerWaalsContact CA-CE 3.5Å; G1399-F2420 WeakPolarHBondContact O-CD2 3.34Å; G1399-F2420 WeakPolarHBondContact O-CE2 3.47Å
1400D78.8Confident76.7Confident56 Ų5666.5 Ų66.530%0.29933%0.33SS..  trans-151.2168-178.5-179.448.1000111.5Y1402 M1403 F1404D1400-Y1402 VanDerWaalsContact C-N 3.29Å; D1400-Y1402 HydrophobicContact CB-CD1 3.92Å; D1400-Y1402 HydrophobicContact CB-CE1 3.79Å; D1400-Y1402 PolarHBondContact O-N 3.37Å; D1400-Y1402 WeakPolarHBondContact OD2-CD1 3.46Å; D1400-M1403 WeakPolarHBondContact O-CB 3.31Å; D1400-M1403 PolarHBondContact O-N 2.83Å; D1400-F1404 WeakPolarHBondContact O-CD2 3.23Å; D1400-F1404 WeakPolarHBondContact O-CE2 3.36Å
1401Y80.7Confident75.8Confident123 Ų12361.1 Ų61.148%0.48230%0.297SS..G310 helixtrans-54.4-33.5-173.9-66.8-82.8000114.8M1403 F1404 K1405 F2420 T2427Y1401-M1403 PolarHBondContact O-N 3.39Å; Y1401-M1403 VanDerWaalsContact O-N 3.11Å; Y1401-F1404 PolarHBondContact O-N 3.48Å; Y1401-K1405 PolarHBondContact O-N 3.18Å; Y1401-F2420 HydrophobicContact CD1-CE1 4.16Å; Y1401-F2420 HydrophobicContact CD1-CZ 4.13Å; Y1401-F2420 AromaticContact CD2-CZ 3.85Å; Y1401-F2420 HydrophobicContact CD2-CZ 3.85Å; Y1401-F2420 HydrophobicContact CE1-CE1 4.31Å; Y1401-F2420 HydrophobicContact CE1-CZ 4.15Å; Y1401-F2420 AromaticContact CE2-CZ 3.87Å; Y1401-F2420 HydrophobicContact CE2-CZ 3.87Å; Y1401-F2420 HydrophobicContact CG-CE1 4.32Å; Y1401-F2420 AromaticContact CG-CZ 3.98Å; Y1401-F2420 HydrophobicContact CG-CZ 3.98Å; Y1401-T2427 HydrophobicContact CD1-CG2 3.72Å; Y1401-T2427 HydrophobicContact CE1-CG2 3.77Å
1402Y79.5Confident74.5Confident24 Ų2464 Ų649%0.09431%0.31CS..G310 helixtrans-57.1-30.2-17971.4-97.2000113.2E1384 R1385 D1400 F1404 K1405E1384-Y1402 WeakPolarHBondContact OE2-CB 3.44Å; R1385-Y1402 HydrophobicContact CG-CE1 4.39Å; R1385-Y1402 PolarHBondContact NE-OH 3.19Å; R1385-Y1402 VanDerWaalsContact NE-OH 3.08Å; R1385-Y1402 PolarHBondContact NH2-OH 2.94Å; D1400-Y1402 VanDerWaalsContact C-N 3.29Å; D1400-Y1402 HydrophobicContact CB-CD1 3.92Å; D1400-Y1402 HydrophobicContact CB-CE1 3.79Å; D1400-Y1402 PolarHBondContact O-N 3.37Å; D1400-Y1402 WeakPolarHBondContact OD2-CD1 3.46Å; Y1402-F1404 PolarHBondContact O-N 2.93Å; Y1402-F1404 VanDerWaalsContact O-N 3.12Å; Y1402-K1405 PolarHBondContact O-N 2.88Å
1403M74.5Confident73Confident2 Ų265.2 Ų65.21%0.0132%0.32CS..G310 helixtrans-69-5.7178.6-171165.848.100113.8Y1374 G1399 D1400 Y1401 Y1406 K2417Y1374-M1403 HydrophobicContact CE2-SD 4.04Å; G1399-M1403 VanDerWaalsContact CA-CE 3.5Å; D1400-M1403 WeakPolarHBondContact O-CB 3.31Å; D1400-M1403 PolarHBondContact O-N 2.83Å; Y1401-M1403 PolarHBondContact O-N 3.39Å; Y1401-M1403 VanDerWaalsContact O-N 3.11Å; M1403-Y1406 WeakPolarHBondContact O-CE1 3.46Å; M1403-K2417 HydrophobicContact CE-CB 3.78Å; M1403-K2417 HydrophobicContact CE-CG 3.89Å; M1403-K2417 HydrophobicContact CG-CB 4.48Å; M1403-K2417 HydrophobicContact CG-CD 3.69Å; M1403-K2417 HydrophobicContact CG-CG 3.87Å; M1403-K2417 WeakPolarHBondContact O-CE 3.43Å; M1403-K2417 HydrophobicContact SD-CB 3.61Å; M1403-K2417 HydrophobicContact SD-CD 3.85Å; M1403-K2417 HydrophobicContact SD-CG 3.67Å
1404F76.1Confident71.5Confident23 Ų2367.7 Ų67.710%0.10133%0.331CS..G310 helixtrans-124.5-0.3178.9-50.3-85.6000113.1D1400 Y1401 Y1402 Y1406 K2417 F2420 L2421D1400-F1404 WeakPolarHBondContact O-CD2 3.23Å; D1400-F1404 WeakPolarHBondContact O-CE2 3.36Å; Y1401-F1404 PolarHBondContact O-N 3.48Å; Y1402-F1404 PolarHBondContact O-N 2.93Å; Y1402-F1404 VanDerWaalsContact O-N 3.12Å; F1404-Y1406 PolarHBondContact O-N 3.48Å; F1404-K2417 HydrophobicContact CE1-CD 4.48Å; F1404-K2417 HydrophobicContact CE1-CG 3.7Å; F1404-K2417 HydrophobicContact CZ-CG 3.65Å; F1404-F2420 AromaticContact CD2-CD1 3.99Å; F1404-F2420 HydrophobicContact CD2-CD1 3.99Å; F1404-F2420 HydrophobicContact CD2-CE1 4.13Å; F1404-F2420 HydrophobicContact CE2-CB 4.3Å; F1404-F2420 AromaticContact CE2-CD1 3.26Å; F1404-F2420 HydrophobicContact CE2-CD1 3.26Å; F1404-F2420 AromaticContact CE2-CE1 3.83Å; F1404-F2420 HydrophobicContact CE2-CE1 3.83Å; F1404-F2420 HydrophobicContact CE2-CG 4.05Å; F1404-F2420 HydrophobicContact CZ-CB 4.32Å; F1404-F2420 AromaticContact CZ-CD1 3.87Å; F1404-F2420 HydrophobicContact CZ-CD1 3.87Å; F1404-L2421 HydrophobicContact CD1-CD1 4.46Å; F1404-L2421 HydrophobicContact CD1-CG 4.43Å; F1404-L2421 HydrophobicContact CE1-CB 4.03Å; F1404-L2421 HydrophobicContact CE1-CD1 3.84Å; F1404-L2421 HydrophobicContact CE1-CG 3.83Å; F1404-L2421 HydrophobicContact CZ-CB 4.18Å; F1404-L2421 HydrophobicContact CZ-CG 4.45Å
1405K71.2Confident69.8Low131 Ų13172.2 Ų72.257%0.5735%0.352SS*.  trans-73.437.4177-66.7178.6-172168.10113E1384 Y1401 Y1402E1384-K1405 IonicContact OE1-NZ 3.34Å; E1384-K1405 PolarHBondContact OE1-NZ 2.85Å; E1384-K1405 IonicContact OE2-NZ 2.73Å; E1384-K1405 PolarHBondContact OE2-NZ 2.66Å; Y1401-K1405 PolarHBondContact O-N 3.18Å; Y1402-K1405 PolarHBondContact O-N 2.88Å
1406Y73.7Confident68.2Low45 Ų4574.8 Ų74.818%0.17637%0.368CS..SBendtrans-137.8144.8176.376.2-91.5000110.6M1403 F1404 P1408 D1411 K2417M1403-Y1406 WeakPolarHBondContact O-CE1 3.46Å; F1404-Y1406 PolarHBondContact O-N 3.48Å; Y1406-P1408 WeakPolarHBondContact O-CD 3.34Å; Y1406-D1411 HydrophobicContact CE2-CB 4.15Å; Y1406-D1411 WeakPolarHBondContact CE2-OD2 3.48Å; Y1406-D1411 PolarHBondContact OH-OD2 3.39Å; Y1406-K2417 PolarHBondContact OH-NZ 3.5Å
1407D67.5Low66.2Low88 Ų8875.2 Ų75.247%0.47138%0.376SS..  trans-72.1118.7-176.5-173.1-20.8000110.5E1409 N1410D1407-E1409 PolarHBondContact O-N 2.96Å; D1407-E1409 PolarHBondContact OD1-N 3Å; D1407-N1410 PolarHBondContact O-N 3.32Å
1408P65.9Low64.4Low23 Ų2372.2 Ų72.215%0.14937%0.373CS..G310 helixtrans-65.7-14.7-17726.4-34.5000114Y1406 N1410 D1411Y1406-P1408 WeakPolarHBondContact O-CD 3.34Å; P1408-N1410 VanDerWaalsContact C-N 3.3Å; P1408-N1410 PolarHBondContact O-N 3.44Å; P1408-D1411 WeakPolarHBondContact O-CB 3.44Å; P1408-D1411 PolarHBondContact O-N 3.44Å
1409E60.9Low62.7Low106 Ų10672.8 Ų72.850%0.49538%0.376SS..G310 helixtrans-73.7-19.7175.6-58.6-152.4104.500112.9D1407 D1411 S2435D1407-E1409 PolarHBondContact O-N 2.96Å; D1407-E1409 PolarHBondContact OD1-N 3Å; E1409-D1411 PolarHBondContact O-N 3Å; E1409-S2435 VanDerWaalsContact CD-OG 3.3Å; E1409-S2435 WeakPolarHBondContact OE1-CB 3.4Å; E1409-S2435 PolarHBondContact OE1-OG 2.87Å; E1409-S2435 WeakPolarHBondContact OE2-CB 3.05Å; E1409-S2435 PolarHBondContact OE2-OG 3.3Å
1410N66.7Low61.1Low132 Ų13276.6 Ų76.671%0.70639%0.389SS*.G310 helixtrans-75.9-9.9170.2-65.9-62.4000113D1407 P1408 D1412D1407-N1410 PolarHBondContact O-N 3.32Å; P1408-N1410 VanDerWaalsContact C-N 3.3Å; P1408-N1410 PolarHBondContact O-N 3.44Å; N1410-D1412 PolarHBondContact O-N 2.89Å
1411D60.3Low59.5Low17 Ų1776.1 Ų76.19%0.09139%0.388CS..SBendtrans-100.574-174.4-140.3-12.1000107.9R1373 Y1406 P1408 E1409 L1413 K2394R1373-D1411 IonicContact CZ-OD1 2.6Å; R1373-D1411 IonicContact NH1-OD1 2.99Å; R1373-D1411 PolarHBondContact NH1-OD1 3.33Å; Y1406-D1411 HydrophobicContact CE2-CB 4.15Å; Y1406-D1411 WeakPolarHBondContact CE2-OD2 3.48Å; Y1406-D1411 PolarHBondContact OH-OD2 3.39Å; P1408-D1411 WeakPolarHBondContact O-CB 3.44Å; P1408-D1411 PolarHBondContact O-N 3.44Å; E1409-D1411 PolarHBondContact O-N 3Å; D1411-L1413 PolarHBondContact O-N 3.28Å; D1411-K2394 PolarHBondContact O-NZ 3.03Å; D1411-K2394 IonicContact OD1-NZ 2.66Å; D1411-K2394 PolarHBondContact OD1-NZ 2.84Å
1412D56Low57.4Low127 Ų12771.3 Ų71.368%0.67937%0.372SS*.  trans-29122-171.1-86.9-42.1000113.5N1410 V1414 K2394N1410-D1412 PolarHBondContact O-N 2.89Å; D1412-V1414 PolarHBondContact O-N 3.34Å; D1412-K2394 PolarHBondContact O-NZ 2.98Å
1413L51.7Low55.7Low83 Ų8375.7 Ų75.744%0.43539%0.393SS..  trans-75.879.8177.7-77.4176.4000109.6D1411 E1415 D2390D1411-L1413 PolarHBondContact O-N 3.28Å; L1413-E1415 PolarHBondContact O-N 2.95Å; L1413-D2390 HydrophobicContact CD2-CB 3.86Å
1414V50.7Low54.4Low76 Ų7677.3 Ų77.346%0.46140%0.403SS..PPolyproline II helixtrans-60.6117.9179.3-175.60000109.9D1412D1412-V1414 PolarHBondContact O-N 3.34Å
1415E48.1Very low52.9Low165 Ų16579 Ų7977%0.77141%0.413SS*.PPolyproline II helixtrans-58.3132.1173.2-63.5-176157.400109.6L1413 V1417L1413-E1415 PolarHBondContact O-N 2.95Å; E1415-V1417 PolarHBondContact O-N 3.35Å; E1415-V1417 VanDerWaalsContact O-N 3.16Å
1416P47.7Very low51.6Low60 Ų6077.2 Ų77.239%0.3942%0.415SS..PPolyproline II helixtrans-63.1121.3177.723.5-29000108.6D1418 Y1966P1416-D1418 PolarHBondContact O-N 2.9Å; P1416-Y1966 HydrophobicContact CG-CE2 3.73Å
1417V41.4Very low50.3Low72 Ų7284.5 Ų84.544%0.43645%0.447SS..  trans-70.797-163.6-171.10000110.7K1359 E1415 S1419K1359-V1417 HydrophobicContact CD-CG1 4.27Å; E1415-V1417 PolarHBondContact O-N 3.35Å; E1415-V1417 VanDerWaalsContact O-N 3.16Å; V1417-S1419 PolarHBondContact O-N 2.77Å
1418D43.8Very low49.3Very low120 Ų12082.3 Ų82.364%0.64244%0.442SS*.  trans-55.4120.7-169.2-106.4-37.5000112.9P1416P1416-D1418 PolarHBondContact O-N 2.9Å
1419S44.7Very low48.7Very low44 Ų4483 Ų8331%0.30845%0.446SS..  trans60.3149.4173.3780000118.6K1359 V1417 V1421K1359-S1419 PolarHBondContact NZ-O 3.03Å; V1417-S1419 PolarHBondContact O-N 2.77Å; S1419-V1421 PolarHBondContact O-N 3.22Å; S1419-V1421 PolarHBondContact OG-O 3.27Å
1420F42.4Very low48.4Very low92 Ų9280.2 Ų80.240%0.40444%0.441SS..SBendtrans-85.714169.9-72.3-85.3000113.1L1956F1420-L1956 HydrophobicContact CE1-CB 4.28Å
1421V45.5Very low48.2Very low45 Ų4575.9 Ų75.927%0.27342%0.415SS..SBendtrans-130.3123.8-173.6-179.30000108.5S1419 E1423S1419-V1421 PolarHBondContact O-N 3.22Å; S1419-V1421 PolarHBondContact OG-O 3.27Å; V1421-E1423 PolarHBondContact O-N 3.43Å
1422P38.1Very low48.5Very low23 Ų2380.7 Ų80.715%0.14944%0.44CS..  trans-59.6111.1175.1-2332.7000111.4Q1352 V1424Q1352-P1422 HydrophobicContact CG-CG 3.66Å; P1422-V1424 HydrophobicContact CB-CG2 4Å; P1422-V1424 PolarHBondContact O-N 3.01Å
1423E43.2Very low49.2Very low115 Ų11579.2 Ų79.254%0.53743%0.425SS..  trans-76.976.6163.4-69.9-112.8153.600108.4V1421 D1425 P1426 K1525V1421-E1423 PolarHBondContact O-N 3.43Å; E1423-D1425 PolarHBondContact O-N 3.15Å; E1423-P1426 WeakPolarHBondContact O-CD 3.19Å; E1423-K1525 IonicContact OE1-NZ 2.67Å; E1423-K1525 PolarHBondContact OE1-NZ 2.96Å; E1423-K1525 IonicContact OE2-NZ 2.72Å; E1423-K1525 PolarHBondContact OE2-NZ 2.76Å
1424V46.2Very low50.1Low36 Ų3675.4 Ų75.422%0.21841%0.405CS..  trans-60.9122.6174.9-170.50000108.5E1351 P1422E1351-V1424 VanDerWaalsContact OE2-CG2 3.32Å; E1351-V1424 WeakPolarHBondContact OE2-CG2 3.04Å; P1422-V1424 HydrophobicContact CB-CG2 4Å; P1422-V1424 PolarHBondContact O-N 3.01Å
1425D44.3Very low51.1Low59 Ų5974.8 Ų74.832%0.31640%0.399SS..  trans68.766.7-174.8-57.4-31.6000118.2E1423 K1427 A1428E1423-D1425 PolarHBondContact O-N 3.15Å; D1425-K1427 PolarHBondContact O-N 3.42Å; D1425-A1428 HydrophobicContact CB-CB 3.68Å; D1425-A1428 PolarHBondContact O-N 2.68Å
1426P45.8Very low52.4Low93 Ų9368.4 Ų68.460%0.60437%0.373SS*.THydrogen-bonded Turntrans-57.8-22.9171.125.8-35000113.3E1423E1423-P1426 WeakPolarHBondContact O-CD 3.19Å
1427K45.8Very low53.6Low198 Ų19867 Ų6786%0.86137%0.369SS*.THydrogen-bonded Turntrans-85.7-16.7178.9-67177.3-179.3170.80114.7D1425D1425-K1427 PolarHBondContact O-N 3.42Å
1428A46Very low55.4Low43 Ų4365.3 Ų65.336%0.35536%0.356SS..THydrogen-bonded Turntrans-95.9-18.4-175.300000113.8D1425D1425-A1428 HydrophobicContact CB-CB 3.68Å; D1425-A1428 PolarHBondContact O-N 2.68Å
1429T52.5Low57.2Low37 Ų3759.8 Ų59.823%0.22733%0.326CS..SBendtrans-125.512.7-178.953.60000114.8V1521T1429-V1521 WeakPolarHBondContact O-CG1 3.31Å
1430A55.6Low58.7Low48 Ų4863.2 Ų63.240%0.39734%0.339SS..  trans-64.2151.6172.800000112.5D1432A1430-D1432 WeakPolarHBondContact CB-OD1 3.47Å
1431Y63Low60.4Low41 Ų4162.2 Ų62.216%0.16133%0.333CS..  trans-100.785.4174.1-170-110.1000110.5R1433 S1514 D1517 L1518Y1431-R1433 HydrophobicContact CE1-CB 3.91Å; Y1431-R1433 PolarHBondContact O-N 2.76Å; Y1431-S1514 VanDerWaalsContact OH-CA 3.31Å; Y1431-S1514 WeakPolarHBondContact OH-CA 3.43Å; Y1431-S1514 WeakPolarHBondContact OH-CB 3.44Å; Y1431-S1514 PolarHBondContact OH-O 3.3Å; Y1431-S1514 PolarHBondContact OH-OG 3.33Å; Y1431-D1517 HydrophobicContact CE2-CB 4.18Å; Y1431-L1518 HydrophobicContact CD1-CD1 4.42Å; Y1431-L1518 HydrophobicContact CD2-CB 4.5Å; Y1431-L1518 HydrophobicContact CD2-CD1 4.39Å; Y1431-L1518 HydrophobicContact CE2-CB 4.27Å; Y1431-L1518 HydrophobicContact CG-CD1 4.16Å
1432D66Low61.9Low117 Ų11760.1 Ų60.163%0.62632%0.32SS*.  trans-74.333.1-171.1-63.4-15.4000114.9A1430 R1469A1430-D1432 WeakPolarHBondContact CB-OD1 3.47Å; D1432-R1469 PolarHBondContact O-NH1 3.38Å
1433R70.8Confident63.7Low97 Ų9759.1 Ų59.137%0.36631%0.314SS..SBendtrans-138.8170.1-177.1-64.6-177.2-174.7156.13.9111.6Y1431 D1435 R1469 D1517Y1431-R1433 HydrophobicContact CE1-CB 3.91Å; Y1431-R1433 PolarHBondContact O-N 2.76Å; R1433-D1435 PolarHBondContact O-N 3.07Å; R1433-R1469 PolarHBondContact O-NH2 3.09Å; R1433-R1469 VanDerWaalsContact O-NH2 3.13Å; R1433-D1517 IonicContact CZ-OD2 2.78Å; R1433-D1517 IonicContact NH1-OD2 3.31Å; R1433-D1517 PolarHBondContact NH1-OD2 2.89Å; R1433-D1517 IonicContact NH2-OD2 2.86Å
1434L70.9Confident65.3Low2 Ų255.4 Ų55.41%0.0130%0.299CS..  trans-67.2128.7171.9-71.787.5000111.1Q1438 I1439 V1457 D1461 R1469 A1473 S1514L1434-Q1438 HydrophobicContact CB-CB 4.32Å; L1434-Q1438 HydrophobicContact CD2-CB 4.45Å; L1434-I1439 HydrophobicContact CB-CD1 4.23Å; L1434-I1439 HydrophobicContact CB-CG1 3.72Å; L1434-I1439 WeakPolarHBondContact O-CD1 3.16Å; L1434-V1457 HydrophobicContact CD1-CG1 4.48Å; L1434-V1457 HydrophobicContact CD2-CG2 4.42Å; L1434-D1461 WeakPolarHBondContact CD1-OD1 3.42Å; L1434-D1461 PolarHBondContact N-OD1 3.2Å; L1434-R1469 HydrophobicContact CD1-CG 3.6Å; L1434-R1469 HydrophobicContact CG-CG 4.06Å; L1434-A1473 HydrophobicContact CD2-CB 3.66Å; L1434-S1514 PolarHBondContact O-OG 3.2Å
1435D70.7Confident66.6Low63 Ų6355.8 Ų55.834%0.33731%0.306SS..  trans-60.6152.7174.7-84-37000111.7R1433 G1437 Q1438 I1439R1433-D1435 PolarHBondContact O-N 3.07Å; D1435-G1437 PolarHBondContact O-N 3.5Å; D1435-G1437 VanDerWaalsContact O-N 3.11Å; D1435-Q1438 HydrophobicContact CB-CB 4.32Å; D1435-Q1438 HydrophobicContact CB-CG 4.14Å; D1435-Q1438 PolarHBondContact O-N 3.4Å; D1435-I1439 WeakPolarHBondContact O-CG1 3.34Å; D1435-I1439 PolarHBondContact O-N 3.03Å
1436P75.3Confident67.9Low32 Ų3254 Ų5421%0.20830%0.296CS..Hα-helixtrans-51.4-35.3171-26.334.9000113.1M1440 A1515P1436-M1440 WeakPolarHBondContact O-CB 3.15Å; P1436-M1440 PolarHBondContact O-N 3.34Å; P1436-A1515 HydrophobicContact CG-CB 4.26Å
1437G74.6Confident69.1Low30 Ų3053 Ų5331%0.30929%0.285SS..Hα-helixtrans-69.1-39.1174.400000114.1D1435 M1440 Y1441D1435-G1437 PolarHBondContact O-N 3.5Å; D1435-G1437 VanDerWaalsContact O-N 3.11Å; G1437-M1440 PolarHBondContact O-N 3.28Å; G1437-Y1441 WeakPolarHBondContact O-CB 3.49Å; G1437-Y1441 PolarHBondContact O-N 3.16Å
1438Q77.8Confident70.3Confident37 Ų3748 Ų4817%0.17327%0.268CS..Hα-helixtrans-69.4-41.6175.7-70.4174.9-18.500111.4L1434 D1435 M1440 Y1441 A1442 Y2027L1434-Q1438 HydrophobicContact CB-CB 4.32Å; L1434-Q1438 HydrophobicContact CD2-CB 4.45Å; D1435-Q1438 HydrophobicContact CB-CB 4.32Å; D1435-Q1438 HydrophobicContact CB-CG 4.14Å; D1435-Q1438 PolarHBondContact O-N 3.4Å; Q1438-M1440 VanDerWaalsContact C-N 3.31Å; Q1438-M1440 PolarHBondContact O-N 2.77Å; Q1438-Y1441 PolarHBondContact O-N 3.08Å; Q1438-A1442 PolarHBondContact O-N 2.92Å; Q1438-Y2027 HydrophobicContact CG-CE1 4.38Å
1439I81.4Confident71.6Confident3 Ų348.9 Ų48.92%0.01527%0.266CS..Hα-helixtrans-60.5-42.1173.6-65.4173.7000110.5L1434 D1435 A1443 V1457 F1507L1434-I1439 HydrophobicContact CB-CD1 4.23Å; L1434-I1439 HydrophobicContact CB-CG1 3.72Å; L1434-I1439 WeakPolarHBondContact O-CD1 3.16Å; D1435-I1439 WeakPolarHBondContact O-CG1 3.34Å; D1435-I1439 PolarHBondContact O-N 3.03Å; I1439-A1443 WeakPolarHBondContact O-CB 3.27Å; I1439-A1443 PolarHBondContact O-N 2.88Å; I1439-V1457 HydrophobicContact CD1-CG1 4.16Å; I1439-V1457 HydrophobicContact CG1-CG1 4.02Å; I1439-V1457 HydrophobicContact CG1-CG2 4.3Å; I1439-V1457 HydrophobicContact CG2-CG2 4.46Å; I1439-F1507 HydrophobicContact CG2-CE2 3.63Å; I1439-F1507 HydrophobicContact CG2-CZ 3.97Å
1440M77.3Confident72.8Confident116 Ų11648.4 Ų48.457%0.57126%0.262SS*.Hα-helixtrans-67.1-41.3175.6-174.2172.166.200112.3P1436 G1437 Q1438 A1443 T1444P1436-M1440 WeakPolarHBondContact O-CB 3.15Å; P1436-M1440 PolarHBondContact O-N 3.34Å; G1437-M1440 PolarHBondContact O-N 3.28Å; Q1438-M1440 VanDerWaalsContact C-N 3.31Å; Q1438-M1440 PolarHBondContact O-N 2.77Å; M1440-A1443 PolarHBondContact O-N 3.24Å; M1440-T1444 PolarHBondContact O-N 3.06Å; M1440-T1444 PolarHBondContact O-OG1 3.05Å
1441Y78.3Confident73.5Confident71 Ų7148.3 Ų48.328%0.27826%0.262SS..Hα-helixtrans-58.9-50.2175-179.9-108.1000111.3G1437 Q1438 A1443 T1444 A1445 V1474 Y2027G1437-Y1441 WeakPolarHBondContact O-CB 3.49Å; G1437-Y1441 PolarHBondContact O-N 3.16Å; Q1438-Y1441 PolarHBondContact O-N 3.08Å; Y1441-A1443 VanDerWaalsContact C-N 3.31Å; Y1441-A1443 PolarHBondContact O-N 2.74Å; Y1441-T1444 CarbonylContact O-C 3.37Å; Y1441-T1444 PolarHBondContact O-N 3.03Å; Y1441-T1444 PolarHBondContact O-OG1 2.89Å; Y1441-A1445 PolarHBondContact O-N 2.81Å; Y1441-V1474 HydrophobicContact CD1-CG2 4.2Å; Y1441-V1474 HydrophobicContact CE1-CG2 4.16Å; Y1441-Y2027 AromaticContact CD1-CD1 3.86Å; Y1441-Y2027 HydrophobicContact CD1-CD1 3.86Å; Y1441-Y2027 HydrophobicContact CD2-CD1 4.11Å; Y1441-Y2027 HydrophobicContact CE1-CD1 4.27Å; Y1441-Y2027 AromaticContact CG-CD1 3.75Å; Y1441-Y2027 HydrophobicContact CG-CD1 3.75Å; Y1441-Y2027 HydrophobicContact CG-CE1 4.37Å; Y1441-Y2027 PolarHBondContact OH-O 3.34Å
1442A75.9Confident73.9Confident1 Ų150.3 Ų50.31%0.00827%0.272CS..Hα-helixtrans-56.9-42.6174.600000112.1Q1438 T1444 A1445 H1446 A1473 V1474Q1438-A1442 PolarHBondContact O-N 2.92Å; A1442-T1444 VanDerWaalsContact C-N 3.33Å; A1442-T1444 PolarHBondContact O-N 2.82Å; A1442-A1445 PolarHBondContact O-N 3.44Å; A1442-H1446 PolarHBondContact O-CD2 3.26Å; A1442-H1446 PolarHBondContact O-N 3.19Å; A1442-H1446 VanDerWaalsContact O-N 3.07Å; A1442-A1473 HydrophobicContact CB-CB 4.24Å; A1442-V1474 HydrophobicContact CB-CG2 4.38Å
1443A76.5Confident74.5Confident3 Ų344.8 Ų44.83%0.02524%0.242CC..Hα-helixtrans-61.7-36.9175.100000113.5I1439 M1440 Y1441 L1448 T1453 F1507I1439-A1443 WeakPolarHBondContact O-CB 3.27Å; I1439-A1443 PolarHBondContact O-N 2.88Å; M1440-A1443 PolarHBondContact O-N 3.24Å; Y1441-A1443 VanDerWaalsContact C-N 3.31Å; Y1441-A1443 PolarHBondContact O-N 2.74Å; A1443-L1448 WeakPolarHBondContact O-CA 3.32Å; A1443-L1448 PolarHBondContact O-N 2.99Å; A1443-T1453 HydrophobicContact CB-CG2 4.39Å; A1443-F1507 HydrophobicContact CB-CE2 3.78Å; A1443-F1507 HydrophobicContact CB-CZ 3.69Å
1444T77Confident74.9Confident36 Ų3641.4 Ų41.422%0.22123%0.232CC..Hα-helixtrans-76.5-26.7174.558.90000114M1440 Y1441 A1442M1440-T1444 PolarHBondContact O-N 3.06Å; M1440-T1444 PolarHBondContact O-OG1 3.05Å; Y1441-T1444 CarbonylContact O-C 3.37Å; Y1441-T1444 PolarHBondContact O-N 3.03Å; Y1441-T1444 PolarHBondContact O-OG1 2.89Å; A1442-T1444 VanDerWaalsContact C-N 3.33Å; A1442-T1444 PolarHBondContact O-N 2.82Å
1445A72.4Confident75.2Confident44 Ų4447.6 Ų47.636%0.36426%0.261SS..Hα-helixtrans-70.3-42.2175.300000111.5Y1441 A1442 D1447 V1474Y1441-A1445 PolarHBondContact O-N 2.81Å; A1442-A1445 PolarHBondContact O-N 3.44Å; A1445-D1447 PolarHBondContact O-N 3.44Å; A1445-D1447 VanDerWaalsContact O-N 3.11Å; A1445-V1474 HydrophobicContact CB-CG1 4Å
1446H72.9Confident75.5Confident22 Ų2245.6 Ų45.610%0.10225%0.249CC..THydrogen-bonded Turntrans-8127.8177.1-65.8-61.2000114.1A1442 L1448 D1449 T1453 Q1456 A1473 V1474A1442-H1446 PolarHBondContact O-CD2 3.26Å; A1442-H1446 PolarHBondContact O-N 3.19Å; A1442-H1446 VanDerWaalsContact O-N 3.07Å; H1446-L1448 PolarHBondContact O-N 3.08Å; H1446-D1449 HydrophobicContact CB-CB 4.49Å; H1446-D1449 WeakPolarHBondContact O-CB 3.32Å; H1446-D1449 PolarHBondContact O-N 2.87Å; H1446-T1453 HydrophobicContact CB-CG2 3.62Å; H1446-Q1456 PolarHBondContact CE1-NE2 2.86Å; H1446-Q1456 PolarHBondContact NE2-NE2 3.03Å; H1446-Q1456 PolarHBondContact NE2-OE1 2.84Å; H1446-A1473 PolarHBondContact NE2-O 3.47Å; H1446-V1474 PolarHBondContact CE1-O 2.73Å; H1446-V1474 PolarHBondContact NE2-O 2.82Å
1447D70.5Confident75.7Confident71 Ų7144.2 Ų44.238%0.3824%0.241SC..THydrogen-bonded Turntrans48.233.5177.9-113.916.5000113.1A1445 K2037A1445-D1447 PolarHBondContact O-N 3.44Å; A1445-D1447 VanDerWaalsContact O-N 3.11Å; D1447-K2037 PolarHBondContact OD1-N 3.4Å; D1447-K2037 IonicContact OD2-NZ 2.63Å; D1447-K2037 PolarHBondContact OD2-NZ 3.39Å
1448L71.9Confident75.8Confident94 Ų9449.6 Ų49.649%0.49226%0.255SS..THydrogen-bonded Turntrans6730.9-174.5-59171000116.6A1443 H1446 L1450 L2038A1443-L1448 WeakPolarHBondContact O-CA 3.32Å; A1443-L1448 PolarHBondContact O-N 2.99Å; H1446-L1448 PolarHBondContact O-N 3.08Å; L1448-L1450 PolarHBondContact O-N 3.41Å; L1448-L2038 HydrophobicContact CD1-CD1 3.97Å
1449D73.4Confident75.9Confident61 Ų6154.3 Ų54.333%0.32628%0.275SS..  trans-73.486.9166.3-164.8-29000111.6H1446 A1451 K1452 T1453H1446-D1449 HydrophobicContact CB-CB 4.49Å; H1446-D1449 WeakPolarHBondContact O-CB 3.32Å; H1446-D1449 PolarHBondContact O-N 2.87Å; D1449-A1451 PolarHBondContact O-N 2.85Å; D1449-A1451 PolarHBondContact OD1-N 2.78Å; D1449-A1451 VanDerWaalsContact OD1-N 3.15Å; D1449-K1452 HydrophobicContact CB-CB 4.28Å; D1449-K1452 HydrophobicContact CB-CD 4.22Å; D1449-K1452 HydrophobicContact CB-CG 4.36Å; D1449-K1452 PolarHBondContact O-N 3.28Å; D1449-K1452 PolarHBondContact OD1-N 2.83Å; D1449-K1452 VanDerWaalsContact OD2-CD 3.3Å; D1449-K1452 WeakPolarHBondContact OD2-CD 3.37Å; D1449-K1452 WeakPolarHBondContact OD2-CE 3.49Å; D1449-K1452 WeakPolarHBondContact OD2-CG 3.29Å; D1449-T1453 WeakPolarHBondContact O-CB 3.38Å; D1449-T1453 WeakPolarHBondContact O-CG2 3.49Å; D1449-T1453 PolarHBondContact O-N 2.77Å; D1449-T1453 VanDerWaalsContact O-N 3.11Å; D1449-T1453 PolarHBondContact O-OG1 3.15Å
1450L76.5Confident75.5Confident27 Ų2754.2 Ų54.214%0.14128%0.275CS..Hα-helixtrans-67.3-11.4-177.6-56.2-173.8000114.1L1448 T1453 V1454 T1504 F1507L1448-L1450 PolarHBondContact O-N 3.41Å; L1450-T1453 VanDerWaalsContact CA-OG1 3.26Å; L1450-T1453 WeakPolarHBondContact CA-OG1 3.13Å; L1450-V1454 VanDerWaalsContact O-CG2 3.25Å; L1450-V1454 WeakPolarHBondContact O-CG2 3.24Å; L1450-T1504 HydrophobicContact CD1-CG2 4.01Å; L1450-F1507 HydrophobicContact CB-CB 4.43Å; L1450-F1507 HydrophobicContact CD2-CD1 4.16Å; L1450-F1507 HydrophobicContact CD2-CD2 4.09Å; L1450-F1507 HydrophobicContact CD2-CE1 4.43Å; L1450-F1507 HydrophobicContact CD2-CE2 4.37Å; L1450-F1507 HydrophobicContact CD2-CG 3.99Å
1451A69.5Low75.3Confident47 Ų4750.5 Ų50.539%0.38826%0.257SS..Hα-helixtrans-83.9-53.9174.400000110.7D1449 T1453 V1454 Q1455D1449-A1451 PolarHBondContact O-N 2.85Å; D1449-A1451 PolarHBondContact OD1-N 2.78Å; D1449-A1451 VanDerWaalsContact OD1-N 3.15Å; A1451-T1453 PolarHBondContact O-N 2.94Å; A1451-V1454 PolarHBondContact O-N 3.45Å; A1451-Q1455 PolarHBondContact O-N 2.76Å
1452K73.2Confident75.1Confident83 Ų8352.6 Ų52.636%0.36128%0.278SS..Hα-helixtrans-56.9-50.1176.9-69.9-177.3-178-175.50111.6D1449 V1454 Q1455 Q1456 E1476D1449-K1452 HydrophobicContact CB-CB 4.28Å; D1449-K1452 HydrophobicContact CB-CD 4.22Å; D1449-K1452 HydrophobicContact CB-CG 4.36Å; D1449-K1452 PolarHBondContact O-N 3.28Å; D1449-K1452 PolarHBondContact OD1-N 2.83Å; D1449-K1452 VanDerWaalsContact OD2-CD 3.3Å; D1449-K1452 WeakPolarHBondContact OD2-CD 3.37Å; D1449-K1452 WeakPolarHBondContact OD2-CE 3.49Å; D1449-K1452 WeakPolarHBondContact OD2-CG 3.29Å; K1452-V1454 VanDerWaalsContact C-N 3.35Å; K1452-V1454 PolarHBondContact O-N 3.11Å; K1452-Q1455 CarbonylContact O-C 3.34Å; K1452-Q1455 WeakPolarHBondContact O-CA 3.44Å; K1452-Q1455 WeakPolarHBondContact O-CB 3.16Å; K1452-Q1455 PolarHBondContact O-N 2.89Å; K1452-Q1456 PolarHBondContact O-N 2.87Å; K1452-Q1456 PolarHBondContact O-OE1 2.81Å; K1452-Q1456 VanDerWaalsContact O-OE1 3.09Å; K1452-E1476 IonicContact NZ-OE1 3.45Å; K1452-E1476 PolarHBondContact NZ-OE1 2.8Å
1453T77.4Confident75.1Confident1 Ų154.6 Ų54.61%0.00629%0.288CS..Hα-helixtrans-59.1-40.7-176.851.60000113A1443 H1446 D1449 L1450 A1451 Q1455 Q1456 V1457A1443-T1453 HydrophobicContact CB-CG2 4.39Å; H1446-T1453 HydrophobicContact CB-CG2 3.62Å; D1449-T1453 WeakPolarHBondContact O-CB 3.38Å; D1449-T1453 WeakPolarHBondContact O-CG2 3.49Å; D1449-T1453 PolarHBondContact O-N 2.77Å; D1449-T1453 VanDerWaalsContact O-N 3.11Å; D1449-T1453 PolarHBondContact O-OG1 3.15Å; L1450-T1453 VanDerWaalsContact CA-OG1 3.26Å; L1450-T1453 WeakPolarHBondContact CA-OG1 3.13Å; A1451-T1453 PolarHBondContact O-N 2.94Å; T1453-Q1455 VanDerWaalsContact C-N 3.31Å; T1453-Q1455 PolarHBondContact O-N 2.84Å; T1453-Q1456 PolarHBondContact O-N 2.82Å; T1453-V1457 WeakPolarHBondContact O-CB 3.18Å; T1453-V1457 VanDerWaalsContact O-CG2 3.23Å; T1453-V1457 WeakPolarHBondContact O-CG2 3.09Å; T1453-V1457 PolarHBondContact O-N 2.82Å
1454V79.1Confident74.7Confident25 Ų2563.6 Ų63.615%0.15233%0.326CS..Hα-helixtrans-67.6-30.8176.41710000111.9L1450 A1451 K1452 K1458 F1507L1450-V1454 VanDerWaalsContact O-CG2 3.25Å; L1450-V1454 WeakPolarHBondContact O-CG2 3.24Å; A1451-V1454 PolarHBondContact O-N 3.45Å; K1452-V1454 VanDerWaalsContact C-N 3.35Å; K1452-V1454 PolarHBondContact O-N 3.11Å; V1454-K1458 WeakPolarHBondContact O-CB 3.4Å; V1454-K1458 VanDerWaalsContact O-CG 3.29Å; V1454-K1458 WeakPolarHBondContact O-CG 3.48Å; V1454-K1458 PolarHBondContact O-N 2.98Å; V1454-F1507 HydrophobicContact CG2-CB 3.87Å; V1454-F1507 HydrophobicContact CG2-CD2 4Å; V1454-F1507 HydrophobicContact CG2-CG 4.46Å
1455Q76.9Confident74.4Confident133 Ų13366.9 Ų66.962%0.62134%0.343SS*.Hα-helixtrans-73.8-43.7172.2-66.4177-1800112A1451 K1452 T1453 K1458 K1459A1451-Q1455 PolarHBondContact O-N 2.76Å; K1452-Q1455 CarbonylContact O-C 3.34Å; K1452-Q1455 WeakPolarHBondContact O-CA 3.44Å; K1452-Q1455 WeakPolarHBondContact O-CB 3.16Å; K1452-Q1455 PolarHBondContact O-N 2.89Å; T1453-Q1455 VanDerWaalsContact C-N 3.31Å; T1453-Q1455 PolarHBondContact O-N 2.84Å; Q1455-K1458 WeakPolarHBondContact O-CB 2.95Å; Q1455-K1458 PolarHBondContact O-N 3.28Å; Q1455-K1459 PolarHBondContact O-N 3.02Å; Q1455-K1459 VanDerWaalsContact O-N 3.11Å
1456Q77.7Confident74.2Confident20 Ų2068.3 Ų68.39%0.09335%0.348CS..Hα-helixtrans-67.3-42.6179.4-75157.3-54.800112.2H1446 K1452 T1453 K1458 K1459 G1460 S1475H1446-Q1456 PolarHBondContact CE1-NE2 2.86Å; H1446-Q1456 PolarHBondContact NE2-NE2 3.03Å; H1446-Q1456 PolarHBondContact NE2-OE1 2.84Å; K1452-Q1456 PolarHBondContact O-N 2.87Å; K1452-Q1456 PolarHBondContact O-OE1 2.81Å; K1452-Q1456 VanDerWaalsContact O-OE1 3.09Å; T1453-Q1456 PolarHBondContact O-N 2.82Å; Q1456-K1458 VanDerWaalsContact C-N 3.32Å; Q1456-K1458 PolarHBondContact O-N 3.4Å; Q1456-K1459 PolarHBondContact O-N 3.34Å; Q1456-K1459 VanDerWaalsContact O-N 3.09Å; Q1456-G1460 PolarHBondContact O-N 2.93Å; Q1456-S1475 PolarHBondContact NE2-O 2.79Å
1457V79.1Confident73.9Confident4 Ų472.5 Ų72.52%0.02437%0.371CS..Hα-helixtrans-61.8-39.3173.5170.20000111.2L1434 I1439 T1453 K1459 G1460 D1461L1434-V1457 HydrophobicContact CD1-CG1 4.48Å; L1434-V1457 HydrophobicContact CD2-CG2 4.42Å; I1439-V1457 HydrophobicContact CD1-CG1 4.16Å; I1439-V1457 HydrophobicContact CG1-CG1 4.02Å; I1439-V1457 HydrophobicContact CG1-CG2 4.3Å; I1439-V1457 HydrophobicContact CG2-CG2 4.46Å; T1453-V1457 WeakPolarHBondContact O-CB 3.18Å; T1453-V1457 VanDerWaalsContact O-CG2 3.23Å; T1453-V1457 WeakPolarHBondContact O-CG2 3.09Å; T1453-V1457 PolarHBondContact O-N 2.82Å; V1457-K1459 VanDerWaalsContact C-N 3.3Å; V1457-K1459 PolarHBondContact O-N 2.8Å; V1457-G1460 PolarHBondContact O-N 2.84Å; V1457-D1461 WeakPolarHBondContact O-CB 3.37Å; V1457-D1461 PolarHBondContact O-N 2.89Å
1458K78.1Confident74.1Confident142 Ų14270.9 Ų70.962%0.61737%0.365SS*.Hα-helixtrans-62.9-32.3173.3-83.8179.3174.7-171.60113.4V1454 Q1455 Q1456V1454-K1458 WeakPolarHBondContact O-CB 3.4Å; V1454-K1458 VanDerWaalsContact O-CG 3.29Å; V1454-K1458 WeakPolarHBondContact O-CG 3.48Å; V1454-K1458 PolarHBondContact O-N 2.98Å; Q1455-K1458 WeakPolarHBondContact O-CB 2.95Å; Q1455-K1458 PolarHBondContact O-N 3.28Å; Q1456-K1458 VanDerWaalsContact C-N 3.32Å; Q1456-K1458 PolarHBondContact O-N 3.4Å
1459K78.8Confident74.2Confident137 Ų13767.7 Ų67.760%0.59635%0.347SS*.Hα-helixtrans-75-40.9172.7-70.2-177.8177.1-175.30111.4Q1455 Q1456 V1457 D1461 T1462Q1455-K1459 PolarHBondContact O-N 3.02Å; Q1455-K1459 VanDerWaalsContact O-N 3.11Å; Q1456-K1459 PolarHBondContact O-N 3.34Å; Q1456-K1459 VanDerWaalsContact O-N 3.09Å; V1457-K1459 VanDerWaalsContact C-N 3.3Å; V1457-K1459 PolarHBondContact O-N 2.8Å; K1459-D1461 PolarHBondContact O-N 3.24Å; K1459-T1462 PolarHBondContact O-N 2.82Å; K1459-T1462 PolarHBondContact O-OG1 2.69Å
1460G73.2Confident74.2Confident0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-60.5-42.9175.100000112.8Q1456 V1457 T1462 I1463 R1469Q1456-G1460 PolarHBondContact O-N 2.93Å; V1457-G1460 PolarHBondContact O-N 2.84Å; G1460-T1462 PolarHBondContact O-N 3.15Å; G1460-I1463 PolarHBondContact O-N 3.25Å; G1460-R1469 WeakPolarHBondContact O-CD 3.42Å; G1460-R1469 VanDerWaalsContact O-CG 3.3Å; G1460-R1469 WeakPolarHBondContact O-CG 3.36Å
1461D73.3Confident74Confident39 Ų3967.8 Ų67.821%0.20935%0.349CS..THydrogen-bonded Turntrans-58.4-12.2177.5-79.5-31.6000114.7L1434 V1457 K1459 K1510L1434-D1461 WeakPolarHBondContact CD1-OD1 3.42Å; L1434-D1461 PolarHBondContact N-OD1 3.2Å; V1457-D1461 WeakPolarHBondContact O-CB 3.37Å; V1457-D1461 PolarHBondContact O-N 2.89Å; K1459-D1461 PolarHBondContact O-N 3.24Å; D1461-K1510 IonicContact OD1-NZ 3.05Å; D1461-K1510 VanDerWaalsContact OD2-CE 3.32Å; D1461-K1510 WeakPolarHBondContact OD2-CE 3.25Å; D1461-K1510 IonicContact OD2-NZ 3.66Å; D1461-K1510 PolarHBondContact OD2-NZ 3.07Å
1462T74.8Confident74.3Confident115 Ų11568.6 Ų68.671%0.70635%0.346SS*.THydrogen-bonded Turntrans-91.6-6.417566.70000113.9K1459 G1460K1459-T1462 PolarHBondContact O-N 2.82Å; K1459-T1462 PolarHBondContact O-OG1 2.69Å; G1460-T1462 PolarHBondContact O-N 3.15Å
1463I74.3Confident74.2Confident43 Ų4364.7 Ų64.722%0.22133%0.329CS..  trans-103.1134.9-170.7-57.3178.2000110G1460 S1468 R1469 I1472G1460-I1463 PolarHBondContact O-N 3.25Å; I1463-S1468 VanDerWaalsContact CG2-OG 3.29Å; I1463-S1468 WeakPolarHBondContact CG2-OG 3.48Å; I1463-R1469 HydrophobicContact CB-CB 4.26Å; I1463-R1469 HydrophobicContact CG2-CB 4.41Å; I1463-I1472 HydrophobicContact CD1-CB 4.35Å; 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
1464K68.7Low73.9Confident191 Ų19165.1 Ų65.183%0.8333%0.332SS*.SBendtrans-78.2-43.5-176.3-67.8-175.7178.5179.30112.9
1465D71.3Confident73.5Confident106 Ų10666 Ų6657%0.56734%0.339SS*.SBendtrans-75.7129-174.1-40.2-51.8000110.1D1467 S1468 R1469D1465-D1467 PolarHBondContact O-N 3.21Å; D1465-S1468 PolarHBondContact O-OG 3.17Å; D1465-R1469 WeakPolarHBondContact O-CB 3.48Å; D1465-R1469 PolarHBondContact O-N 2.91Å
1466P66.7Low72.7Confident74 Ų7465 Ų6548%0.48133%0.334SS..Hα-helixtrans-65.7-37.9-170.224.8-33.7000112.8R1469 A1470P1466-R1469 WeakPolarHBondContact O-CB 3.36Å; P1466-A1470 WeakPolarHBondContact O-CB 3.49Å; P1466-A1470 PolarHBondContact O-N 3.14Å
1467D67.4Low71.4Confident109 Ų10969.2 Ų69.258%0.58336%0.363SS*.Hα-helixtrans-71.3-44.2-174-57.9-6.4000111.5D1465 A1470 L1471D1465-D1467 PolarHBondContact O-N 3.21Å; D1467-A1470 PolarHBondContact O-N 3.01Å; D1467-L1471 WeakPolarHBondContact O-CB 3.44Å; D1467-L1471 PolarHBondContact O-N 2.94Å
1468S73.8Confident69.9Low37 Ų3775.8 Ų75.826%0.25939%0.394SS..Hα-helixtrans-71.6-35.7176.766.30000111.5I1463 D1465 A1470 L1471 I1472I1463-S1468 VanDerWaalsContact CG2-OG 3.29Å; I1463-S1468 WeakPolarHBondContact CG2-OG 3.48Å; D1465-S1468 PolarHBondContact O-OG 3.17Å; S1468-A1470 PolarHBondContact O-N 3.15Å; S1468-L1471 PolarHBondContact O-N 3.23Å; S1468-I1472 WeakPolarHBondContact O-CB 3.3Å; S1468-I1472 WeakPolarHBondContact O-CG1 3.38Å; S1468-I1472 PolarHBondContact O-N 3.37Å
1469R76Confident67.9Low28 Ų2874 Ų7411%0.10641%0.405CS..Hα-helixtrans-57-44.5169.2173.3168.589.2-163.68.6112.4D1432 R1433 L1434 G1460 I1463 D1465 P1466 A1473D1432-R1469 PolarHBondContact O-NH1 3.38Å; R1433-R1469 PolarHBondContact O-NH2 3.09Å; R1433-R1469 VanDerWaalsContact O-NH2 3.13Å; L1434-R1469 HydrophobicContact CD1-CG 3.6Å; L1434-R1469 HydrophobicContact CG-CG 4.06Å; G1460-R1469 WeakPolarHBondContact O-CD 3.42Å; G1460-R1469 VanDerWaalsContact O-CG 3.3Å; G1460-R1469 WeakPolarHBondContact O-CG 3.36Å; I1463-R1469 HydrophobicContact CB-CB 4.26Å; I1463-R1469 HydrophobicContact CG2-CB 4.41Å; D1465-R1469 WeakPolarHBondContact O-CB 3.48Å; D1465-R1469 PolarHBondContact O-N 2.91Å; P1466-R1469 WeakPolarHBondContact O-CB 3.36Å; R1469-A1473 PolarHBondContact O-N 2.85Å
1470A72.2Confident65.9Low11 Ų1177.3 Ų77.39%0.09141%0.414CS..Hα-helixtrans-69.4-45.4176.400000111.9P1466 D1467 S1468 I1472 A1473 V1474 P2028P1466-A1470 WeakPolarHBondContact O-CB 3.49Å; P1466-A1470 PolarHBondContact O-N 3.14Å; D1467-A1470 PolarHBondContact O-N 3.01Å; S1468-A1470 PolarHBondContact O-N 3.15Å; A1470-I1472 PolarHBondContact O-N 3.03Å; A1470-A1473 PolarHBondContact O-N 3.44Å; A1470-V1474 WeakPolarHBondContact O-CG2 3.45Å; A1470-P2028 HydrophobicContact CB-CG 4.28Å
1471L73.4Confident64.1Low79 Ų7986.6 Ų86.641%0.41446%0.455SS..Hα-helixtrans-59.9-45.8179.8-174.966.8000112.2D1467 S1468 A1473 V1474 S1475 P2028D1467-L1471 WeakPolarHBondContact O-CB 3.44Å; D1467-L1471 PolarHBondContact O-N 2.94Å; S1468-L1471 PolarHBondContact O-N 3.23Å; L1471-A1473 VanDerWaalsContact C-N 3.29Å; L1471-A1473 PolarHBondContact O-N 3.3Å; L1471-V1474 CarbonylContact O-C 3.45Å; L1471-V1474 PolarHBondContact O-N 3.09Å; L1471-S1475 PolarHBondContact O-N 3.06Å; L1471-S1475 PolarHBondContact O-OG 2.88Å; L1471-P2028 HydrophobicContact CB-CG 4.43Å; L1471-P2028 HydrophobicContact CD1-CB 4.34Å; L1471-P2028 HydrophobicContact CD1-CG 4.48Å
1472I74Confident62.1Low63 Ų6391.2 Ų91.232%0.32349%0.486SS..Hα-helixtrans-70.8-24-177.6-73.4165.5000112.4I1463 S1468 A1470 V1474I1463-I1472 HydrophobicContact CD1-CB 4.35Å; 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 3.3Å; S1468-I1472 WeakPolarHBondContact O-CG1 3.38Å; S1468-I1472 PolarHBondContact O-N 3.37Å; A1470-I1472 PolarHBondContact O-N 3.03Å; I1472-V1474 PolarHBondContact O-N 3.12Å
1473A71.7Confident60.2Low2 Ų289.7 Ų89.72%0.01749%0.493CS..Hα-helixtrans-69.6-20.9169.100000113L1434 A1442 H1446 R1469 A1470 L1471L1434-A1473 HydrophobicContact CD2-CB 3.66Å; A1442-A1473 HydrophobicContact CB-CB 4.24Å; H1446-A1473 PolarHBondContact NE2-O 3.47Å; R1469-A1473 PolarHBondContact O-N 2.85Å; A1470-A1473 PolarHBondContact O-N 3.44Å; L1471-A1473 VanDerWaalsContact C-N 3.29Å; L1471-A1473 PolarHBondContact O-N 3.3Å
1474V71.9Confident58.3Low10 Ų1091.4 Ų91.46%0.06152%0.522CS..Hα-helixtrans-107.5-24.3-174.1-179.20000113Y1441 A1442 A1445 H1446 A1470 L1471 I1472 P2030Y1441-V1474 HydrophobicContact CD1-CG2 4.2Å; Y1441-V1474 HydrophobicContact CE1-CG2 4.16Å; A1442-V1474 HydrophobicContact CB-CG2 4.38Å; A1445-V1474 HydrophobicContact CB-CG1 4Å; H1446-V1474 PolarHBondContact CE1-O 2.73Å; H1446-V1474 PolarHBondContact NE2-O 2.82Å; A1470-V1474 WeakPolarHBondContact O-CG2 3.45Å; L1471-V1474 CarbonylContact O-C 3.45Å; L1471-V1474 PolarHBondContact O-N 3.09Å; I1472-V1474 PolarHBondContact O-N 3.12Å; V1474-P2030 HydrophobicContact CG1-CG 3.96Å
1475S69.7Low56.5Low42 Ų4288.4 Ų88.429%0.29452%0.52SS..SBendtrans-78.9140.8178.659.90000114.2Q1456 L1471Q1456-S1475 PolarHBondContact NE2-O 2.79Å; L1471-S1475 PolarHBondContact O-N 3.06Å; L1471-S1475 PolarHBondContact O-OG 2.88Å
1476E60Low54.5Low113 Ų11391.7 Ų91.753%0.52853%0.532SS..PPolyproline II helixtrans-75.4151.4162.9-67.8-159.8123.500111.3K1452K1452-E1476 IonicContact NZ-OE1 3.45Å; K1452-E1476 PolarHBondContact NZ-OE1 2.8Å
1477P51.2Low52.8Low108 Ų10897.2 Ų97.270%0.70155%0.551SS**PPolyproline II helixtrans-76.2138.4-177.130.2-35000113.3A1479P1477-A1479 PolarHBondContact O-N 3.21Å
1478E46.6Very low50.9Low143 Ų14398.6 Ų98.667%0.66856%0.564SS**PPolyproline II helixtrans-64.4119.8168.9-69.1-168.4153.500111.2R1480E1478-R1480 VanDerWaalsContact C-N 3.32Å; E1478-R1480 HydrophobicContact CB-CG 4.37Å; E1478-R1480 PolarHBondContact O-N 3.02Å; E1478-R1480 IonicContact OE2-CZ 2.72Å; E1478-R1480 IonicContact OE2-NE 3.09Å; E1478-R1480 PolarHBondContact OE2-NE 3.14Å; E1478-R1480 IonicContact OE2-NH2 3.84Å; E1478-R1480 PolarHBondContact OE2-NH2 2.95Å
1479A36.5Very low48.9Very low104 Ų104105 Ų10586%0.8660%0.595SS**  trans-75.979.9171.400000111.1P1477P1477-A1479 PolarHBondContact O-N 3.21Å
1480R36.9Very low46.5Very low206 Ų206107 Ų10778%0.77762%0.624SS**PPolyproline II helixtrans-71.1138.1174.1-68.1-172.1178.5-164.2-2.4110.9E1478E1478-R1480 VanDerWaalsContact C-N 3.32Å; E1478-R1480 HydrophobicContact CB-CG 4.37Å; E1478-R1480 PolarHBondContact O-N 3.02Å; E1478-R1480 IonicContact OE2-CZ 2.72Å; E1478-R1480 IonicContact OE2-NE 3.09Å; E1478-R1480 PolarHBondContact OE2-NE 3.14Å; E1478-R1480 IonicContact OE2-NH2 3.84Å; E1478-R1480 PolarHBondContact OE2-NH2 2.95Å
1481K34.8Very low44.5Very low196 Ų196114.7 Ų114.785%0.85266%0.664SS**PPolyproline II helixtrans-70.5147.5-177.2-63.4175.5-179.3176.70110.9
1482P33.2Very low42.6Very low135 Ų135119.9 Ų119.988%0.87769%0.686SS**PPolyproline II helixtrans-74.1147.1-176.630.9-35.9000112.7
1483G33.8Very low40.7Very low83 Ų83124.3 Ų124.386%0.85671%0.71SS**  trans173.193.1176.700000111.2
1484G34.8Very low39Very low79 Ų79133.3 Ų133.381%0.81475%0.752SS**  trans145.8131.7-173.700000110.2
1485T30.9Very low37.4Very low128 Ų128140 Ų14079%0.78579%0.787SS**  trans-94.1172.2-174.1-26.70000111.6
1486E29.8Very low36Very low176 Ų176144.8 Ų144.882%0.82281%0.81SS**  trans72.3126.6169-67.7150.6-136.900114.7
1487E30Very low35.1Very low189 Ų189148.3 Ų148.388%0.88382%0.823SS**  cis-137.7174.82.5-105.5179.9163.100111.7
1488T28.8Very low34.3Very low138 Ų138150.5 Ų150.585%0.84783%0.829SS**  trans-76.2125.6-166.150.50000115.7
1489D30.3Very low34.7Very low173 Ų173146.8 Ų146.893%0.92582%0.819SS**  trans-154.4121.4145.1-118.8-17.5000108.2
1490G26.5Very low35.7Very low69 Ų69150.6 Ų150.671%0.71182%0.816SS**  trans-171.1113.4-177.200000114.6
1491D29.4Very low37Very low172 Ų172146.1 Ų146.192%0.9281%0.811SS**  trans179.664.1160.1-101.2-16.8000110
1492E34.2Very low38.7Very low188 Ų188141.8 Ų141.888%0.87979%0.794SS**  trans-131.5-8178.9-72.7-15515100117.2
1493D34.2Very low40.3Very low157 Ų157136.7 Ų136.784%0.8476%0.762SS**SBendtrans-87.4-8.6-159.2-92.7-44.9000118.9
1494E35.3Very low42.1Very low190 Ų190135.3 Ų135.389%0.88874%0.737SS**SBendtrans-94.8-22.4-178.1-76.1-133.3119.800116N1496E1494-N1496 PolarHBondContact O-N 3.08Å; E1494-N1496 VanDerWaalsContact O-N 3.11Å
1495D37.7Very low43.9Very low151 Ų151134 Ų13481%0.80772%0.718SS**  trans-8214-171.5-97.2-19.1000114.7K1497D1495-K1497 PolarHBondContact O-N 3.46Å
1496N41.1Very low46.2Very low143 Ų143132.9 Ų132.977%0.76570%0.702SS**THydrogen-bonded Turntrans-76.347.6-167.8-152.6-16000114.9E1494E1494-N1496 PolarHBondContact O-N 3.08Å; E1494-N1496 VanDerWaalsContact O-N 3.11Å
1497K40.3Very low48.6Very low187 Ų187125.6 Ų125.681%0.81367%0.668SS**THydrogen-bonded Turntrans-132-9.8176-69.9-175.5-177.183.20114.3D1495 S1499D1495-K1497 PolarHBondContact O-N 3.46Å; K1497-S1499 PolarHBondContact O-N 3.02Å; K1497-S1499 VanDerWaalsContact O-N 3.11Å
1498D36.4Very low51Low154 Ų154120.1 Ų120.182%0.82464%0.644SS**SBendtrans-84.891.1-171.6-96.317000114.5
1499S55Low53.5Low64 Ų64120.3 Ų120.345%0.44864%0.636SS.*  trans75.6103160.484.90000118.6K1497 V1501 E1502K1497-S1499 PolarHBondContact O-N 3.02Å; K1497-S1499 VanDerWaalsContact O-N 3.11Å; S1499-V1501 PolarHBondContact O-N 3.45Å; S1499-E1502 PolarHBondContact O-N 3Å
1500K56.9Low55.9Low184 Ų184114.7 Ų114.780%0.860%0.603SS**Hα-helixtrans-56.8-17.7161.8-64.4-170.6174.7-167.10113.7S1503 T1504K1500-S1503 PolarHBondContact O-OG 2.84Å; K1500-S1503 VanDerWaalsContact O-OG 3.11Å; K1500-T1504 WeakPolarHBondContact O-CB 3.12Å; K1500-T1504 PolarHBondContact O-N 3.29Å; K1500-T1504 VanDerWaalsContact O-N 3.08Å; K1500-T1504 PolarHBondContact O-OG1 3.47Å
1501V63Low58.5Low112 Ų112114.6 Ų114.668%0.67958%0.584SS**Hα-helixtrans-69.1-39.4179.3-176.90000110.9S1499 T1504 A1505S1499-V1501 PolarHBondContact O-N 3.45Å; V1501-T1504 PolarHBondContact O-N 2.92Å; V1501-A1505 WeakPolarHBondContact O-CB 3.24Å; V1501-A1505 PolarHBondContact O-N 3.46Å
1502E71.8Confident61Low106 Ų106110.7 Ų110.750%0.49556%0.563SS.*Hα-helixtrans-73.1-38.1-179.2-169.5173.5146.500112.3S1499 A1505 K1506S1499-E1502 PolarHBondContact O-N 3Å; E1502-A1505 PolarHBondContact O-N 3.27Å; E1502-K1506 HydrophobicContact CG-CD 4.27Å; E1502-K1506 WeakPolarHBondContact O-CB 3.48Å; E1502-K1506 WeakPolarHBondContact O-CG 3.34Å; E1502-K1506 PolarHBondContact O-N 3.14Å; E1502-K1506 WeakPolarHBondContact OE1-CE 3.27Å; E1502-K1506 IonicContact OE1-NZ 2.92Å; E1502-K1506 PolarHBondContact OE1-NZ 3.43Å
1503S65.8Low63.3Low28 Ų28103.4 Ų103.420%0.19654%0.535CS..Hα-helixtrans-65.1-39.1171.656.20000111.9K1500 K1506 F1507K1500-S1503 PolarHBondContact O-OG 2.84Å; K1500-S1503 VanDerWaalsContact O-OG 3.11Å; S1503-K1506 PolarHBondContact O-N 2.92Å; S1503-F1507 WeakPolarHBondContact O-CB 3.49Å; S1503-F1507 PolarHBondContact O-N 2.91Å
1504T71.2Confident65.4Low54 Ų5496 Ų9633%0.33150%0.496SS..Hα-helixtrans-60-46.1172-540000111.8L1450 K1500 V1501 F1507 I1508L1450-T1504 HydrophobicContact CD1-CG2 4.01Å; K1500-T1504 WeakPolarHBondContact O-CB 3.12Å; K1500-T1504 PolarHBondContact O-N 3.29Å; K1500-T1504 VanDerWaalsContact O-N 3.08Å; K1500-T1504 PolarHBondContact O-OG1 3.47Å; V1501-T1504 PolarHBondContact O-N 2.92Å; T1504-F1507 PolarHBondContact O-N 3.41Å; T1504-I1508 HydrophobicContact CG2-CD1 3.86Å; T1504-I1508 WeakPolarHBondContact O-CG1 3.39Å; T1504-I1508 PolarHBondContact O-N 2.97Å
1505A73.9Confident67.6Low52 Ų5289.2 Ų89.243%0.4347%0.472SS..Hα-helixtrans-63.1-43.7178.300000112.2V1501 E1502 I1508 Q1509V1501-A1505 WeakPolarHBondContact O-CB 3.24Å; V1501-A1505 PolarHBondContact O-N 3.46Å; E1502-A1505 PolarHBondContact O-N 3.27Å; A1505-I1508 PolarHBondContact O-N 2.92Å; A1505-Q1509 VanDerWaalsContact O-CB 3.3Å; A1505-Q1509 WeakPolarHBondContact O-CB 3.4Å; A1505-Q1509 PolarHBondContact O-N 2.95Å
1506K78.9Confident69.9Low103 Ų10384.7 Ų84.745%0.44845%0.447SS..Hα-helixtrans-63.2-40175.9-73.2170.3-177.9167.80112.2E1502 S1503 K1510E1502-K1506 HydrophobicContact CG-CD 4.27Å; E1502-K1506 WeakPolarHBondContact O-CB 3.48Å; E1502-K1506 WeakPolarHBondContact O-CG 3.34Å; E1502-K1506 PolarHBondContact O-N 3.14Å; E1502-K1506 WeakPolarHBondContact OE1-CE 3.27Å; E1502-K1506 IonicContact OE1-NZ 2.92Å; E1502-K1506 PolarHBondContact OE1-NZ 3.43Å; S1503-K1506 PolarHBondContact O-N 2.92Å; K1506-K1510 WeakPolarHBondContact O-CB 3.3Å; K1506-K1510 PolarHBondContact O-N 3.11Å
1507F80.5Confident71.8Confident24 Ų2478.4 Ų78.411%0.10541%0.413CS..Hα-helixtrans-63.2-50.6174.8179.4-94.8000111.7I1439 A1443 L1450 V1454 S1503 T1504 Q1509 K1510 M1511I1439-F1507 HydrophobicContact CG2-CE2 3.63Å; I1439-F1507 HydrophobicContact CG2-CZ 3.97Å; A1443-F1507 HydrophobicContact CB-CE2 3.78Å; A1443-F1507 HydrophobicContact CB-CZ 3.69Å; L1450-F1507 HydrophobicContact CB-CB 4.43Å; L1450-F1507 HydrophobicContact CD2-CD1 4.16Å; L1450-F1507 HydrophobicContact CD2-CD2 4.09Å; L1450-F1507 HydrophobicContact CD2-CE1 4.43Å; L1450-F1507 HydrophobicContact CD2-CE2 4.37Å; L1450-F1507 HydrophobicContact CD2-CG 3.99Å; V1454-F1507 HydrophobicContact CG2-CB 3.87Å; V1454-F1507 HydrophobicContact CG2-CD2 4Å; V1454-F1507 HydrophobicContact CG2-CG 4.46Å; S1503-F1507 WeakPolarHBondContact O-CB 3.49Å; S1503-F1507 PolarHBondContact O-N 2.91Å; T1504-F1507 PolarHBondContact O-N 3.41Å; F1507-Q1509 VanDerWaalsContact C-N 3.33Å; F1507-Q1509 PolarHBondContact O-N 3.1Å; F1507-K1510 PolarHBondContact O-N 3.3Å; F1507-M1511 HydrophobicContact CE1-SD 4.48Å; F1507-M1511 PolarHBondContact O-N 3.31Å
1508I79.2Confident73.8Confident74 Ų7472.2 Ų72.238%0.37939%0.389SS..Hα-helixtrans-60.4-42.6177.8-68.7171000111T1504 A1505 K1510 M1511 I1512T1504-I1508 HydrophobicContact CG2-CD1 3.86Å; T1504-I1508 WeakPolarHBondContact O-CG1 3.39Å; T1504-I1508 PolarHBondContact O-N 2.97Å; A1505-I1508 PolarHBondContact O-N 2.92Å; I1508-K1510 PolarHBondContact O-N 3.29Å; I1508-M1511 PolarHBondContact O-N 3.45Å; I1508-I1512 HydrophobicContact CG2-CD1 3.68Å; I1508-I1512 HydrophobicContact CG2-CG1 4.33Å; I1508-I1512 WeakPolarHBondContact O-CB 3.42Å; I1508-I1512 WeakPolarHBondContact O-CG1 3.12Å; I1508-I1512 PolarHBondContact O-N 3.31Å
1509Q82Confident76.1Confident142 Ų14267.5 Ų67.566%0.66437%0.367SS*.Hα-helixtrans-60.5-42.9176.4-174.1-177.73.900112.1A1505 F1507 A1513A1505-Q1509 VanDerWaalsContact O-CB 3.3Å; A1505-Q1509 WeakPolarHBondContact O-CB 3.4Å; A1505-Q1509 PolarHBondContact O-N 2.95Å; F1507-Q1509 VanDerWaalsContact C-N 3.33Å; F1507-Q1509 PolarHBondContact O-N 3.1Å; Q1509-A1513 VanDerWaalsContact O-CB 3.3Å; Q1509-A1513 WeakPolarHBondContact O-CB 3.48Å; Q1509-A1513 PolarHBondContact O-N 3.44Å
1510K81.4Confident77.5Confident55 Ų5564.5 Ų64.524%0.23935%0.346CS..Hα-helixtrans-66.5-40.5176.4175.960.3175.8176.60112D1461 K1506 F1507 I1508 A1513 S1514D1461-K1510 IonicContact OD1-NZ 3.05Å; D1461-K1510 VanDerWaalsContact OD2-CE 3.32Å; D1461-K1510 WeakPolarHBondContact OD2-CE 3.25Å; D1461-K1510 IonicContact OD2-NZ 3.66Å; D1461-K1510 PolarHBondContact OD2-NZ 3.07Å; K1506-K1510 WeakPolarHBondContact O-CB 3.3Å; K1506-K1510 PolarHBondContact O-N 3.11Å; F1507-K1510 PolarHBondContact O-N 3.3Å; I1508-K1510 PolarHBondContact O-N 3.29Å; K1510-A1513 PolarHBondContact O-N 2.88Å; K1510-S1514 WeakPolarHBondContact O-CB 3.31Å; K1510-S1514 PolarHBondContact O-N 2.82Å
1511M81Confident78.6Confident66 Ų6656.8 Ų56.833%0.32532%0.315SS..Hα-helixtrans-63.9-47.3176.6-173.6-176.87300111.9F1507 I1508 S1514 A1515F1507-M1511 HydrophobicContact CE1-SD 4.48Å; F1507-M1511 PolarHBondContact O-N 3.31Å; I1508-M1511 PolarHBondContact O-N 3.45Å; M1511-S1514 WeakPolarHBondContact O-CB 3.39Å; M1511-S1514 PolarHBondContact O-N 3.48Å; M1511-A1515 PolarHBondContact O-N 3Å
1512I81.8Confident79.4Confident90 Ų9055.1 Ų55.146%0.46231%0.305SS..Hα-helixtrans-63.6-42.2176.6-68.2171.3000110.7I1508 S1514 A1515 L1516I1508-I1512 HydrophobicContact CG2-CD1 3.68Å; I1508-I1512 HydrophobicContact CG2-CG1 4.33Å; I1508-I1512 WeakPolarHBondContact O-CB 3.42Å; I1508-I1512 WeakPolarHBondContact O-CG1 3.12Å; I1508-I1512 PolarHBondContact O-N 3.31Å; I1512-S1514 VanDerWaalsContact C-N 3.33Å; I1512-S1514 PolarHBondContact O-N 3.37Å; I1512-A1515 PolarHBondContact O-N 2.91Å; I1512-L1516 HydrophobicContact CG2-CD1 3.73Å; I1512-L1516 HydrophobicContact CG2-CG 4.16Å; I1512-L1516 WeakPolarHBondContact O-CB 3.2Å; I1512-L1516 VanDerWaalsContact O-CG 3.28Å; I1512-L1516 WeakPolarHBondContact O-CG 3.33Å; I1512-L1516 PolarHBondContact O-N 3.48Å
1513A81.6Confident79.9Confident35 Ų3552 Ų5229%0.28929%0.291SS..Hα-helixtrans-62.1-38.7175.900000112.6Q1509 K1510 D1517Q1509-A1513 VanDerWaalsContact O-CB 3.3Å; Q1509-A1513 WeakPolarHBondContact O-CB 3.48Å; Q1509-A1513 PolarHBondContact O-N 3.44Å; K1510-A1513 PolarHBondContact O-N 2.88Å; A1513-D1517 WeakPolarHBondContact O-CB 3.18Å; A1513-D1517 PolarHBondContact O-N 2.95Å
1514S79.8Confident80.8Confident3 Ų351 Ų512%0.02128%0.284CS..Hα-helixtrans-62.8-49.4174.8-171.40000111.3Y1431 L1434 K1510 M1511 I1512 L1516 D1517 L1518Y1431-S1514 VanDerWaalsContact OH-CA 3.31Å; Y1431-S1514 WeakPolarHBondContact OH-CA 3.43Å; Y1431-S1514 WeakPolarHBondContact OH-CB 3.44Å; Y1431-S1514 PolarHBondContact OH-O 3.3Å; Y1431-S1514 PolarHBondContact OH-OG 3.33Å; L1434-S1514 PolarHBondContact O-OG 3.2Å; K1510-S1514 WeakPolarHBondContact O-CB 3.31Å; K1510-S1514 PolarHBondContact O-N 2.82Å; M1511-S1514 WeakPolarHBondContact O-CB 3.39Å; M1511-S1514 PolarHBondContact O-N 3.48Å; I1512-S1514 VanDerWaalsContact C-N 3.33Å; I1512-S1514 PolarHBondContact O-N 3.37Å; S1514-L1516 PolarHBondContact O-N 3.25Å; S1514-D1517 PolarHBondContact O-N 2.83Å; S1514-L1518 WeakPolarHBondContact O-CB 3.4Å; S1514-L1518 PolarHBondContact O-N 2.85Å
1515A80.8Confident81Confident47 Ų4752.6 Ų52.639%0.38829%0.286SS..Hα-helixtrans-64.9-38.3178.700000113.6P1436 M1511 I1512 C1519P1436-A1515 HydrophobicContact CG-CB 4.26Å; M1511-A1515 PolarHBondContact O-N 3Å; I1512-A1515 PolarHBondContact O-N 2.91Å; A1515-C1519 VanDerWaalsContact O-CB 3.31Å; A1515-C1519 WeakPolarHBondContact O-CB 3.43Å; A1515-C1519 PolarHBondContact O-N 3.07Å
1516L85.2Confident81.1Confident55 Ų5555.6 Ų55.629%0.28829%0.294SS..Hα-helixtrans-68-42.8176.3-72.4173.3000112.1I1512 S1514 S1520 L1600I1512-L1516 HydrophobicContact CG2-CD1 3.73Å; I1512-L1516 HydrophobicContact CG2-CG 4.16Å; I1512-L1516 WeakPolarHBondContact O-CB 3.2Å; I1512-L1516 VanDerWaalsContact O-CG 3.28Å; I1512-L1516 WeakPolarHBondContact O-CG 3.33Å; I1512-L1516 PolarHBondContact O-N 3.48Å; S1514-L1516 PolarHBondContact O-N 3.25Å; L1516-S1520 VanDerWaalsContact O-CB 3.31Å; L1516-S1520 WeakPolarHBondContact O-CB 3.46Å; L1516-S1520 PolarHBondContact O-N 3.27Å; L1516-L1600 HydrophobicContact CD2-CD2 3.6Å
1517D81.6Confident81.3Confident11 Ų1150.8 Ų50.86%0.05927%0.273CS..Hα-helixtrans-65.3-45.3176.2-88.6-13.5000110.6Y1431 R1433 A1513 S1514 C1519 S1520 V1521 S1596 R1599Y1431-D1517 HydrophobicContact CE2-CB 4.18Å; R1433-D1517 IonicContact CZ-OD2 2.78Å; R1433-D1517 IonicContact NH1-OD2 3.31Å; R1433-D1517 PolarHBondContact NH1-OD2 2.89Å; R1433-D1517 IonicContact NH2-OD2 2.86Å; A1513-D1517 WeakPolarHBondContact O-CB 3.18Å; A1513-D1517 PolarHBondContact O-N 2.95Å; S1514-D1517 PolarHBondContact O-N 2.83Å; D1517-C1519 PolarHBondContact O-N 3.2Å; D1517-S1520 PolarHBondContact O-N 3.32Å; D1517-S1520 VanDerWaalsContact O-N 3.12Å; D1517-S1520 PolarHBondContact O-OG 2.82Å; D1517-V1521 WeakPolarHBondContact O-CG2 3.24Å; D1517-V1521 PolarHBondContact O-N 3.18Å; D1517-S1596 WeakPolarHBondContact OD1-CA 3.43Å; D1517-S1596 WeakPolarHBondContact OD1-CB 3.47Å; D1517-R1599 IonicContact OD1-CZ 2.61Å; D1517-R1599 IonicContact OD1-NH1 3.83Å; D1517-R1599 PolarHBondContact OD1-NH1 2.97Å; D1517-R1599 IonicContact OD2-NH1 3.55Å; D1517-R1599 PolarHBondContact OD2-NH1 2.85Å
1518L82.5Confident81.2Confident58 Ų5851.7 Ų51.730%0.30428%0.276SS..Hα-helixtrans-56.1-49.2175.2178.762.5000112.5Y1431 S1514 S1520 V1521 T1522Y1431-L1518 HydrophobicContact CD1-CD1 4.42Å; Y1431-L1518 HydrophobicContact CD2-CB 4.5Å; Y1431-L1518 HydrophobicContact CD2-CD1 4.39Å; Y1431-L1518 HydrophobicContact CE2-CB 4.27Å; Y1431-L1518 HydrophobicContact CG-CD1 4.16Å; S1514-L1518 WeakPolarHBondContact O-CB 3.4Å; S1514-L1518 PolarHBondContact O-N 2.85Å; L1518-S1520 VanDerWaalsContact C-N 3.31Å; L1518-S1520 PolarHBondContact O-N 2.9Å; L1518-V1521 PolarHBondContact O-N 3.09Å; L1518-T1522 PolarHBondContact O-N 3.26Å; L1518-T1522 PolarHBondContact O-OG1 2.78Å
1519C83.5Confident81.2Confident54 Ų5451.2 Ų51.237%0.36527%0.273SS..Hα-helixtrans-63.9-35.3176.5-177.80000112.5A1515 D1517 T1522 L1523 L1600A1515-C1519 VanDerWaalsContact O-CB 3.31Å; A1515-C1519 WeakPolarHBondContact O-CB 3.43Å; A1515-C1519 PolarHBondContact O-N 3.07Å; D1517-C1519 PolarHBondContact O-N 3.2Å; C1519-T1522 PolarHBondContact O-OG1 3.46Å; C1519-L1523 PolarHBondContact O-N 2.71Å; C1519-L1523 VanDerWaalsContact O-N 3.16Å; C1519-L1600 HydrophobicContact CB-CD1 4.35Å
1520S85.2Confident81.3Confident1 Ų145.8 Ų45.81%0.00725%0.247CC..Hα-helixtrans-67.5-37175.381.60000112.1L1516 D1517 L1518 N1524 W1591L1516-S1520 VanDerWaalsContact O-CB 3.31Å; L1516-S1520 WeakPolarHBondContact O-CB 3.46Å; L1516-S1520 PolarHBondContact O-N 3.27Å; D1517-S1520 PolarHBondContact O-N 3.32Å; D1517-S1520 VanDerWaalsContact O-N 3.12Å; D1517-S1520 PolarHBondContact O-OG 2.82Å; L1518-S1520 VanDerWaalsContact C-N 3.31Å; L1518-S1520 PolarHBondContact O-N 2.9Å; S1520-N1524 WeakPolarHBondContact O-CB 3.27Å; S1520-N1524 PolarHBondContact O-N 2.76Å; S1520-W1591 WeakPolarHBondContact O-CZ2 3.4Å; S1520-W1591 WeakPolarHBondContact OG-CH2 3.22Å; S1520-W1591 WeakPolarHBondContact OG-CZ2 3.28Å
1521V80.8Confident81.4Confident23 Ų2344.6 Ų44.614%0.13924%0.241CC..Hα-helixtrans-67.7-47.1176.8171.60000111.1T1429 D1517 L1518 N1524 K1525 W1591T1429-V1521 WeakPolarHBondContact O-CG1 3.31Å; D1517-V1521 WeakPolarHBondContact O-CG2 3.24Å; D1517-V1521 PolarHBondContact O-N 3.18Å; L1518-V1521 PolarHBondContact O-N 3.09Å; V1521-N1524 PolarHBondContact O-N 2.89Å; V1521-K1525 PolarHBondContact O-N 2.97Å; V1521-W1591 HydrophobicContact CG2-CH2 3.8Å; V1521-W1591 HydrophobicContact CG2-CZ3 4.23Å
1522T78Confident81.6Confident76 Ų7641.6 Ų41.647%0.46623%0.226SC..Hα-helixtrans-64.6-42.8-17955.40000112.3L1518 C1519 K1525 L1526L1518-T1522 PolarHBondContact O-N 3.26Å; L1518-T1522 PolarHBondContact O-OG1 2.78Å; C1519-T1522 PolarHBondContact O-OG1 3.46Å; T1522-K1525 PolarHBondContact O-N 2.76Å; T1522-L1526 PolarHBondContact O-N 3.03Å
1523L84.3Confident81.9Confident41 Ų4137.6 Ų37.622%0.21521%0.206CC..Hα-helixtrans-64.2-43.8172.1-73.5173000111.8C1519 K1525 L1526 C1527 L1600 A1603 V1604C1519-L1523 PolarHBondContact O-N 2.71Å; C1519-L1523 VanDerWaalsContact O-N 3.16Å; L1523-K1525 VanDerWaalsContact C-N 3.27Å; L1523-K1525 PolarHBondContact O-N 2.84Å; L1523-L1526 PolarHBondContact O-N 3.22Å; L1523-L1526 VanDerWaalsContact O-N 3.16Å; L1523-C1527 PolarHBondContact O-N 3.19Å; L1523-C1527 PolarHBondContact O-SG 2.92Å; L1523-L1600 HydrophobicContact CD1-CD1 3.77Å; L1523-A1603 HydrophobicContact CB-CB 3.84Å; L1523-V1604 HydrophobicContact CD1-CG2 3.72Å
1524N83Confident82Confident6 Ų637.3 Ų37.33%0.03221%0.207CC..Hα-helixtrans-62.7-31.7179.8176.383.7000112.8S1520 V1521 C1527 R1531 W1591 A1603S1520-N1524 WeakPolarHBondContact O-CB 3.27Å; S1520-N1524 PolarHBondContact O-N 2.76Å; V1521-N1524 PolarHBondContact O-N 2.89Å; N1524-C1527 PolarHBondContact O-N 3.24Å; N1524-R1531 PolarHBondContact ND2-NH1 2.85Å; N1524-R1531 WeakPolarHBondContact OD1-CD 3.49Å; N1524-R1531 PolarHBondContact OD1-NE 2.83Å; N1524-R1531 PolarHBondContact OD1-NH1 2.96Å; N1524-W1591 HydrophobicContact CB-CH2 4.22Å; N1524-W1591 HydrophobicContact CB-CZ2 3.72Å; N1524-A1603 HydrophobicContact CB-CB 4.29Å
1525K76Confident82.4Confident89 Ų8938.7 Ų38.739%0.38721%0.212SC..Hα-helixtrans-64.1-42.9172.7-176.5171.4171.6179.60112.2E1423 V1521 T1522 L1523 C1527E1423-K1525 IonicContact OE1-NZ 2.67Å; E1423-K1525 PolarHBondContact OE1-NZ 2.96Å; E1423-K1525 IonicContact OE2-NZ 2.72Å; E1423-K1525 PolarHBondContact OE2-NZ 2.76Å; V1521-K1525 PolarHBondContact O-N 2.97Å; T1522-K1525 PolarHBondContact O-N 2.76Å; L1523-K1525 VanDerWaalsContact C-N 3.27Å; L1523-K1525 PolarHBondContact O-N 2.84Å; K1525-C1527 PolarHBondContact O-N 3.01Å
1526L75.7Confident82.7Confident115 Ų11536.5 Ų36.560%0.60219%0.194SC*.Hα-helixtrans-64.1-23173.6-60.8173.6000113T1522 L1523T1522-L1526 PolarHBondContact O-N 3.03Å; L1523-L1526 PolarHBondContact O-N 3.22Å; L1523-L1526 VanDerWaalsContact O-N 3.16Å
1527C82.6Confident82.8Confident1 Ų134.5 Ų34.51%0.00718%0.183CC..THydrogen-bonded Turntrans-95.17.3-173.9-59.80000115L1523 N1524 K1525 E1529 H1530 R1531 A1603 N1606 C1607L1523-C1527 PolarHBondContact O-N 3.19Å; L1523-C1527 PolarHBondContact O-SG 2.92Å; N1524-C1527 PolarHBondContact O-N 3.24Å; K1525-C1527 PolarHBondContact O-N 3.01Å; C1527-E1529 PolarHBondContact O-N 3.34Å; C1527-H1530 PolarHBondContact O-N 3.06Å; C1527-R1531 VanDerWaalsContact O-CB 3.29Å; C1527-R1531 WeakPolarHBondContact O-CB 3.35Å; C1527-R1531 PolarHBondContact O-N 2.61Å; C1527-A1603 PolarHBondContact SG-O 3.01Å; C1527-N1606 HydrophobicContact CB-CB 4.03Å; C1527-C1607 WeakPolarHBondContact SG-CA 3.45Å; C1527-C1607 WeakPolarHBondContact SG-CB 3.3Å; C1527-C1607 PolarHBondContact SG-N 3.21Å
1528R79.3Confident83Confident43 Ų4336.5 Ų36.516%0.16220%0.199CC..Hα-helixtrans-48.1-58.8-165.7-173.8169.885.9136.1-15.2113.1E1348 H1530 R1531 Y1532 E1584E1348-R1528 IonicContact OE1-CZ 3.6Å; E1348-R1528 IonicContact OE1-NE 2.76Å; E1348-R1528 IonicContact OE1-NH2 2.68Å; E1348-R1528 PolarHBondContact OE1-NH2 3.34Å; R1528-H1530 PolarHBondContact O-N 3.24Å; R1528-R1531 PolarHBondContact O-N 3Å; R1528-Y1532 WeakPolarHBondContact O-CB 3.31Å; R1528-Y1532 PolarHBondContact O-N 2.85Å; R1528-E1584 VanDerWaalsContact CD-OE1 3.23Å; R1528-E1584 WeakPolarHBondContact CD-OE1 3.2Å; R1528-E1584 WeakPolarHBondContact CG-OE1 3.07Å; R1528-E1584 IonicContact CZ-OE1 3.48Å; R1528-E1584 IonicContact NE-OE1 3.47Å; R1528-E1584 IonicContact NH1-OE1 3.63Å; R1528-E1584 PolarHBondContact NH1-OE1 3.11Å; R1528-E1584 IonicContact NH1-OE2 2.69Å
1529E78.7Confident83.3Confident65 Ų6537.5 Ų37.530%0.30420%0.201SC..Hα-helixtrans-55.7-54.2-177.3-49.8176-149.700112.6K1341 L1344 C1527 R1531 Y1532 V1533K1341-E1529 WeakPolarHBondContact CD-OE2 3.38Å; K1341-E1529 WeakPolarHBondContact CE-OE2 3.3Å; K1341-E1529 IonicContact NZ-OE1 3.77Å; K1341-E1529 IonicContact NZ-OE2 2.77Å; K1341-E1529 PolarHBondContact NZ-OE2 2.93Å; L1344-E1529 HydrophobicContact CD2-CB 3.89Å; L1344-E1529 HydrophobicContact CD2-CG 3.81Å; C1527-E1529 PolarHBondContact O-N 3.34Å; E1529-R1531 VanDerWaalsContact C-N 3.34Å; E1529-R1531 PolarHBondContact O-N 2.84Å; E1529-Y1532 WeakPolarHBondContact O-CB 3.24Å; E1529-Y1532 PolarHBondContact O-N 3.01Å; E1529-V1533 WeakPolarHBondContact O-CG2 3.41Å; E1529-V1533 PolarHBondContact O-N 2.81Å
1530H84.3Confident83.5Confident28 Ų2835 Ų3513%0.1318%0.183CC..Hα-helixtrans-66-39.5-173.6175.9-100.2000111.4C1527 R1528 G1534 N1606 A1610 M1724C1527-H1530 PolarHBondContact O-N 3.06Å; R1528-H1530 PolarHBondContact O-N 3.24Å; H1530-G1534 PolarHBondContact O-N 3.22Å; H1530-N1606 PolarHBondContact ND1-O 2.8Å; H1530-A1610 HydrophobicContact CB-CB 3.67Å; H1530-M1724 WeakPolarHBondContact NE2-CE 3.27Å
1531R84.3Confident83.7Confident29 Ų2936 Ų3611%0.10919%0.187CC..Hα-helixtrans-64-44175.5-175.6-173.764.3141.89111.3N1524 C1527 R1528 E1529 F1535 V1587N1524-R1531 PolarHBondContact ND2-NH1 2.85Å; N1524-R1531 WeakPolarHBondContact OD1-CD 3.49Å; N1524-R1531 PolarHBondContact OD1-NE 2.83Å; N1524-R1531 PolarHBondContact OD1-NH1 2.96Å; C1527-R1531 VanDerWaalsContact O-CB 3.29Å; C1527-R1531 WeakPolarHBondContact O-CB 3.35Å; C1527-R1531 PolarHBondContact O-N 2.61Å; R1528-R1531 PolarHBondContact O-N 3Å; E1529-R1531 VanDerWaalsContact C-N 3.34Å; E1529-R1531 PolarHBondContact O-N 2.84Å; R1531-F1535 WeakPolarHBondContact O-CB 3.5Å; R1531-F1535 PolarHBondContact O-N 2.86Å; R1531-V1587 HydrophobicContact CG-CG1 3.67Å; R1531-V1587 VanDerWaalsContact CZ-CG1 3.42Å
1532Y85.9Confident84Confident3 Ų338.7 Ų38.71%0.01220%0.199CC..Hα-helixtrans-61.1-58.2176170.6-97.1000111.5L1340 R1528 E1529 G1534 F1535 V1536 V1574 V1580 M1583 E1584L1340-Y1532 HydrophobicContact CD2-CE1 4.42Å; R1528-Y1532 WeakPolarHBondContact O-CB 3.31Å; R1528-Y1532 PolarHBondContact O-N 2.85Å; E1529-Y1532 WeakPolarHBondContact O-CB 3.24Å; E1529-Y1532 PolarHBondContact O-N 3.01Å; Y1532-G1534 VanDerWaalsContact C-N 3.31Å; Y1532-G1534 PolarHBondContact O-N 3.5Å; Y1532-F1535 PolarHBondContact O-N 2.9Å; Y1532-F1535 VanDerWaalsContact O-N 3.16Å; Y1532-V1536 HydrophobicContact CD2-CG2 4.34Å; Y1532-V1536 HydrophobicContact CE1-CG2 4.26Å; Y1532-V1536 HydrophobicContact CE2-CG2 4.05Å; Y1532-V1536 WeakPolarHBondContact O-CG2 3.37Å; Y1532-V1536 PolarHBondContact O-N 2.85Å; Y1532-V1574 WeakPolarHBondContact OH-CG1 3.45Å; Y1532-V1574 WeakPolarHBondContact OH-CG2 3.36Å; Y1532-V1580 HydrophobicContact CE2-CG1 3.96Å; Y1532-M1583 HydrophobicContact CD2-CB 4.45Å; Y1532-M1583 HydrophobicContact CE2-CB 3.71Å; Y1532-E1584 HydrophobicContact CD2-CG 3.46Å; Y1532-E1584 VanDerWaalsContact CD2-CG 3.46Å; Y1532-E1584 HydrophobicContact CE2-CG 3.87Å; Y1532-E1584 HydrophobicContact CG-CG 4.3Å
1533V86.6Confident84.5Confident6 Ų639.4 Ų39.44%0.03620%0.195CC..Hα-helixtrans-59.4-42.3-179177.70000111L1340 E1529 F1535 L1537 L1728L1340-V1533 HydrophobicContact CB-CG1 4.37Å; L1340-V1533 HydrophobicContact CB-CG2 3.96Å; L1340-V1533 HydrophobicContact CD1-CG1 4.34Å; E1529-V1533 WeakPolarHBondContact O-CG2 3.41Å; E1529-V1533 PolarHBondContact O-N 2.81Å; V1533-F1535 PolarHBondContact O-N 2.99Å; V1533-L1537 HydrophobicContact CG1-CD1 3.81Å; V1533-L1537 HydrophobicContact CG1-CG 4.27Å; V1533-L1537 WeakPolarHBondContact O-CB 3.26Å; V1533-L1537 VanDerWaalsContact O-CG 3.27Å; V1533-L1537 WeakPolarHBondContact O-CG 3.08Å; V1533-L1537 PolarHBondContact O-N 2.93Å; V1533-L1728 HydrophobicContact CG1-CD2 3.95Å
1534G85Confident84.6Confident30 Ų3037.5 Ų37.531%0.30919%0.185SC..Hα-helixtrans-62.3-39.8177.500000113.7H1530 Y1532 S1538H1530-G1534 PolarHBondContact O-N 3.22Å; Y1532-G1534 VanDerWaalsContact C-N 3.31Å; Y1532-G1534 PolarHBondContact O-N 3.5Å; G1534-S1538 WeakPolarHBondContact O-CB 3.37Å; G1534-S1538 PolarHBondContact O-N 3.06Å
1535F86.8Confident84.8Confident32 Ų3238 Ų3814%0.1419%0.187CC..Hα-helixtrans-71.1-47176.7-179-92.8000112.1R1531 Y1532 V1533 L1537 S1538 K1539 M1583 A1586 V1587 D1590R1531-F1535 WeakPolarHBondContact O-CB 3.5Å; R1531-F1535 PolarHBondContact O-N 2.86Å; Y1532-F1535 PolarHBondContact O-N 2.9Å; Y1532-F1535 VanDerWaalsContact O-N 3.16Å; V1533-F1535 PolarHBondContact O-N 2.99Å; F1535-L1537 VanDerWaalsContact C-N 3.35Å; F1535-L1537 PolarHBondContact O-N 3.49Å; F1535-S1538 PolarHBondContact O-N 3.11Å; F1535-S1538 VanDerWaalsContact O-N 3.09Å; F1535-S1538 PolarHBondContact O-OG 3.12Å; F1535-K1539 HydrophobicContact CD1-CG 4.29Å; F1535-K1539 HydrophobicContact CE1-CG 4Å; F1535-K1539 HydrophobicContact CZ-CG 4.22Å; F1535-K1539 PolarHBondContact O-N 3Å; F1535-M1583 HydrophobicContact CD1-CE 3.94Å; F1535-M1583 HydrophobicContact CE1-CE 3.89Å; F1535-A1586 HydrophobicContact CE1-CB 4.23Å; F1535-A1586 HydrophobicContact CZ-CB 4.49Å; F1535-V1587 HydrophobicContact CB-CG2 3.47Å; F1535-V1587 VanDerWaalsContact CB-CG2 3.47Å; F1535-V1587 HydrophobicContact CD1-CG2 3.34Å; F1535-V1587 HydrophobicContact CD2-CG2 4.09Å; F1535-V1587 HydrophobicContact CE1-CG2 3.99Å; F1535-V1587 HydrophobicContact CG-CG2 3.38Å; F1535-D1590 HydrophobicContact CE2-CB 3.97Å
1536V88.2Confident85.1Confident0 Ų038.3 Ų38.30%020%0.2CC..Hα-helixtrans-55.9-51.3176.2177.10000109.6L1340 Y1532 S1538 K1539 E1540 L1573 V1574 M1583L1340-V1536 HydrophobicContact CD1-CB 3.94Å; L1340-V1536 HydrophobicContact CD1-CG1 3.57Å; L1340-V1536 HydrophobicContact CD2-CG1 4.12Å; Y1532-V1536 HydrophobicContact CD2-CG2 4.34Å; Y1532-V1536 HydrophobicContact CE1-CG2 4.26Å; Y1532-V1536 HydrophobicContact CE2-CG2 4.05Å; Y1532-V1536 WeakPolarHBondContact O-CG2 3.37Å; Y1532-V1536 PolarHBondContact O-N 2.85Å; V1536-S1538 VanDerWaalsContact C-N 3.3Å; V1536-S1538 PolarHBondContact O-N 3.32Å; V1536-K1539 PolarHBondContact O-N 3.34Å; V1536-E1540 HydrophobicContact CG1-CG 4.22Å; V1536-E1540 WeakPolarHBondContact O-CG 3.39Å; V1536-E1540 PolarHBondContact O-N 3.35Å; V1536-L1573 HydrophobicContact CG1-CB 4.42Å; V1536-V1574 HydrophobicContact CG1-CG2 4.13Å; V1536-V1574 HydrophobicContact CG2-CG2 4.24Å; V1536-M1583 HydrophobicContact CB-CE 4.41Å; V1536-M1583 HydrophobicContact CG2-CB 4.27Å; V1536-M1583 HydrophobicContact CG2-CE 3.79Å
1537L87.1Confident85.4Confident13 Ų1335.3 Ų35.37%0.06820%0.197CC..Hα-helixtrans-59.9-36.3176.4-71.8174.9000113R1336 L1340 V1533 F1535 K1539 K1541 L1728R1336-L1537 HydrophobicContact CB-CD2 4.03Å; R1336-L1537 HydrophobicContact CG-CD2 3.96Å; L1340-L1537 HydrophobicContact CD1-CG 4.46Å; V1533-L1537 HydrophobicContact CG1-CD1 3.81Å; V1533-L1537 HydrophobicContact CG1-CG 4.27Å; V1533-L1537 WeakPolarHBondContact O-CB 3.26Å; V1533-L1537 VanDerWaalsContact O-CG 3.27Å; V1533-L1537 WeakPolarHBondContact O-CG 3.08Å; V1533-L1537 PolarHBondContact O-N 2.93Å; F1535-L1537 VanDerWaalsContact C-N 3.35Å; F1535-L1537 PolarHBondContact O-N 3.49Å; L1537-K1539 VanDerWaalsContact C-N 3.32Å; L1537-K1539 PolarHBondContact O-N 3.27Å; L1537-K1541 VanDerWaalsContact O-CB 3.27Å; L1537-K1541 WeakPolarHBondContact O-CB 3.43Å; L1537-K1541 VanDerWaalsContact O-CG 3.27Å; L1537-K1541 WeakPolarHBondContact O-CG 3.4Å; L1537-K1541 PolarHBondContact O-N 3.03Å; L1537-L1728 HydrophobicContact CD1-CD2 4.09Å
1538S86.1Confident85.5Confident54 Ų5438 Ų3838%0.37821%0.21SC..Hα-helixtrans-65.1-34.8175.678.90000112.7G1534 F1535 V1536 Q1542G1534-S1538 WeakPolarHBondContact O-CB 3.37Å; G1534-S1538 PolarHBondContact O-N 3.06Å; F1535-S1538 PolarHBondContact O-N 3.11Å; F1535-S1538 VanDerWaalsContact O-N 3.09Å; F1535-S1538 PolarHBondContact O-OG 3.12Å; V1536-S1538 VanDerWaalsContact C-N 3.3Å; V1536-S1538 PolarHBondContact O-N 3.32Å; S1538-Q1542 WeakPolarHBondContact O-CB 3.36Å; S1538-Q1542 PolarHBondContact O-N 2.85Å
1539K88.3Confident85.5Confident79 Ų7938.9 Ų38.934%0.34322%0.222SC..Hα-helixtrans-77.9-38.7177.3-67-68171.2-169.70112.3F1535 V1536 L1537 K1541 Q1542 K1543 L1573F1535-K1539 HydrophobicContact CD1-CG 4.29Å; F1535-K1539 HydrophobicContact CE1-CG 4Å; F1535-K1539 HydrophobicContact CZ-CG 4.22Å; F1535-K1539 PolarHBondContact O-N 3Å; V1536-K1539 PolarHBondContact O-N 3.34Å; L1537-K1539 VanDerWaalsContact C-N 3.32Å; L1537-K1539 PolarHBondContact O-N 3.27Å; K1539-K1541 VanDerWaalsContact C-N 3.35Å; K1539-Q1542 PolarHBondContact O-N 3.35Å; K1539-K1543 WeakPolarHBondContact O-CB 3.47Å; K1539-K1543 PolarHBondContact O-N 3.47Å; K1539-L1573 HydrophobicContact CB-CD1 3.42Å; K1539-L1573 VanDerWaalsContact CB-CD1 3.42Å
1540E88.5Confident85.6Confident1 Ų142.7 Ų42.71%0.00524%0.24CC..Hα-helixtrans-64.7-38.4172.2-63-177.6163.200110.8L1333 R1336 V1536 L1544 L1571 Q1572 L1573L1333-E1540 HydrophobicContact CD1-CB 4.39Å; L1333-E1540 HydrophobicContact CD2-CB 4.43Å; R1336-E1540 WeakPolarHBondContact CG-OE2 3.49Å; R1336-E1540 IonicContact CZ-OE1 2.69Å; R1336-E1540 IonicContact NE-OE1 3.46Å; R1336-E1540 PolarHBondContact NE-OE1 3.16Å; R1336-E1540 VanDerWaalsContact NE-OE1 3.08Å; R1336-E1540 IonicContact NE-OE2 3.37Å; R1336-E1540 PolarHBondContact NE-OE2 2.86Å; R1336-E1540 VanDerWaalsContact NE-OE2 3.16Å; R1336-E1540 IonicContact NH2-OE1 2.75Å; R1336-E1540 PolarHBondContact NH2-OE1 3.43Å; V1536-E1540 HydrophobicContact CG1-CG 4.22Å; V1536-E1540 WeakPolarHBondContact O-CG 3.39Å; V1536-E1540 PolarHBondContact O-N 3.35Å; E1540-L1544 WeakPolarHBondContact O-CB 3.37Å; E1540-L1544 PolarHBondContact O-N 2.91Å; E1540-L1571 WeakPolarHBondContact CG-O 3.21Å; E1540-Q1572 WeakPolarHBondContact OE1-CA 3.25Å; E1540-L1573 HydrophobicContact CG-CB 4.41Å; E1540-L1573 HydrophobicContact CG-CD1 3.93Å; E1540-L1573 HydrophobicContact CG-CG 4.15Å; E1540-L1573 PolarHBondContact OE1-N 2.88Å
1541K88.3Confident85.5Confident21 Ų2142.4 Ų42.49%0.09124%0.242CC..Hα-helixtrans-61.5-47.8168.4-81.7178170.9-176.80113.2E1326 S1329 E1330 L1333 L1537 K1539 K1543 L1544 K1545E1326-K1541 WeakPolarHBondContact OE1-CD 3.17Å; E1326-K1541 WeakPolarHBondContact OE1-CE 3.42Å; E1326-K1541 IonicContact OE1-NZ 3.16Å; E1326-K1541 PolarHBondContact OE1-NZ 3.25Å; S1329-K1541 WeakPolarHBondContact OG-CE 3.31Å; E1330-K1541 IonicContact OE1-NZ 2.71Å; E1330-K1541 PolarHBondContact OE1-NZ 2.98Å; L1333-K1541 HydrophobicContact CD1-CB 4.21Å; L1333-K1541 HydrophobicContact CD1-CG 3.58Å; L1537-K1541 VanDerWaalsContact O-CB 3.27Å; L1537-K1541 WeakPolarHBondContact O-CB 3.43Å; L1537-K1541 VanDerWaalsContact O-CG 3.27Å; L1537-K1541 WeakPolarHBondContact O-CG 3.4Å; L1537-K1541 PolarHBondContact O-N 3.03Å; K1539-K1541 VanDerWaalsContact C-N 3.35Å; K1541-K1543 VanDerWaalsContact C-N 3.27Å; K1541-K1543 PolarHBondContact O-N 2.9Å; K1541-L1544 WeakPolarHBondContact O-CB 3.44Å; K1541-L1544 PolarHBondContact O-N 3.42Å; K1541-L1544 VanDerWaalsContact O-N 3.17Å; K1541-K1545 PolarHBondContact O-N 2.97Å
1542Q87.4Confident85.3Confident81 Ų8141 Ų4138%0.37924%0.236SC..Hα-helixtrans-59-41.8179.6-170.7-179.96.900110.7S1538 K1539 K1545 S1546S1538-Q1542 WeakPolarHBondContact O-CB 3.36Å; S1538-Q1542 PolarHBondContact O-N 2.85Å; K1539-Q1542 PolarHBondContact O-N 3.35Å; Q1542-K1545 PolarHBondContact O-N 3.34Å; Q1542-S1546 PolarHBondContact O-N 2.94Å; Q1542-S1546 PolarHBondContact O-OG 2.84Å
1543K87.4Confident85Confident91 Ų9141.3 Ų41.340%0.39624%0.239SC..Hα-helixtrans-67.6-37.8175.5-166.7179.1-176.8-177.40112.8K1539 K1541 S1546 G1547 S1570 L1571K1539-K1543 WeakPolarHBondContact O-CB 3.47Å; K1539-K1543 PolarHBondContact O-N 3.47Å; K1541-K1543 VanDerWaalsContact C-N 3.27Å; K1541-K1543 PolarHBondContact O-N 2.9Å; K1543-S1546 PolarHBondContact O-OG 3.19Å; K1543-G1547 PolarHBondContact O-N 3.1Å; K1543-S1570 PolarHBondContact NZ-O 3.49Å; K1543-L1571 HydrophobicContact CB-CD2 4.23Å; K1543-L1571 HydrophobicContact CD-CD2 3.92Å; K1543-L1571 HydrophobicContact CG-CD2 3.81Å
1544L87.6Confident84.5Confident0 Ų044.3 Ų44.30%025%0.254CS..Hα-helixtrans-64.1-46.6173.1177.663000111.5I1332 L1333 E1540 K1541 H1548 L1552 V1566 L1571I1332-L1544 HydrophobicContact CB-CD2 4.1Å; I1332-L1544 HydrophobicContact CD1-CD2 4.32Å; I1332-L1544 HydrophobicContact CG2-CD2 3.85Å; L1333-L1544 HydrophobicContact CD1-CD2 3.97Å; L1333-L1544 HydrophobicContact CG-CD2 4.14Å; E1540-L1544 WeakPolarHBondContact O-CB 3.37Å; E1540-L1544 PolarHBondContact O-N 2.91Å; K1541-L1544 WeakPolarHBondContact O-CB 3.44Å; K1541-L1544 PolarHBondContact O-N 3.42Å; K1541-L1544 VanDerWaalsContact O-N 3.17Å; L1544-H1548 HydrophobicContact CD1-CB 4.26Å; L1544-H1548 WeakPolarHBondContact O-CB 3.46Å; L1544-H1548 PolarHBondContact O-N 3.02Å; L1544-L1552 HydrophobicContact CG-CD1 4.42Å; L1544-V1566 HydrophobicContact CD1-CG1 4.12Å; L1544-V1566 HydrophobicContact CD1-CG2 4.25Å; L1544-L1571 HydrophobicContact CB-CD1 4.28Å; L1544-L1571 HydrophobicContact CD1-CD1 4.01Å
1545K86.3Confident83.7Confident18 Ų1844.8 Ų44.88%0.07825%0.252CS..Hα-helixtrans-60.5-46.9177-79.8176169.4-171.90112.5D1148 D1151 V1325 E1326 K1541 Q1542 S1549 L1552D1148-K1545 IonicContact OD2-NZ 2.69Å; D1148-K1545 PolarHBondContact OD2-NZ 3.28Å; D1151-K1545 IonicContact OD1-NZ 3.7Å; D1151-K1545 PolarHBondContact OD1-NZ 2.88Å; D1151-K1545 WeakPolarHBondContact OD2-CD 3.4Å; D1151-K1545 IonicContact OD2-NZ 2.68Å; D1151-K1545 PolarHBondContact OD2-NZ 3.18Å; D1151-K1545 VanDerWaalsContact OD2-NZ 3.09Å; V1325-K1545 HydrophobicContact CG1-CG 4.4Å; E1326-K1545 VanDerWaalsContact OE2-CE 3.26Å; E1326-K1545 WeakPolarHBondContact OE2-CE 3.25Å; E1326-K1545 IonicContact OE2-NZ 2.69Å; K1541-K1545 PolarHBondContact O-N 2.97Å; Q1542-K1545 PolarHBondContact O-N 3.34Å; K1545-S1549 WeakPolarHBondContact O-CA 3.5Å; K1545-S1549 WeakPolarHBondContact O-CB 3.41Å; K1545-S1549 PolarHBondContact O-N 3.41Å; K1545-L1552 HydrophobicContact CG-CD1 4.34Å
1546S84Confident83.1Confident94 Ų9447.2 Ų47.266%0.65727%0.273SS*.Hα-helixtrans-72.6-36.9-177.962.20000113.3Q1542 K1543Q1542-S1546 PolarHBondContact O-N 2.94Å; Q1542-S1546 PolarHBondContact O-OG 2.84Å; K1543-S1546 PolarHBondContact O-OG 3.19Å
1547G81.8Confident82.4Confident52 Ų5253.9 Ų53.954%0.53630%0.298SS..Hα-helixtrans-80.2-22.2179.800000115K1543K1543-G1547 PolarHBondContact O-N 3.1Å
1548H83.4Confident81.5Confident59 Ų5957.6 Ų57.627%0.27331%0.313SS..Hα-helixtrans-136.521.6-167-64.591.6000114.4L1544 E1550 S1551 L1552L1544-H1548 HydrophobicContact CD1-CB 4.26Å; L1544-H1548 WeakPolarHBondContact O-CB 3.46Å; L1544-H1548 PolarHBondContact O-N 3.02Å; H1548-E1550 PolarHBondContact O-N 2.93Å; H1548-S1551 WeakPolarHBondContact CB-OG 3.46Å; H1548-S1551 PolarHBondContact O-N 2.98Å; H1548-S1551 PolarHBondContact O-OG 3.36Å; H1548-L1552 PolarHBondContact O-N 3.32Å
1549S80.1Confident81Confident61 Ų6155.9 Ų55.943%0.42730%0.3SS..Hα-helixtrans-48.3-46-176.855.10000114.7K1545 L1552 S1553K1545-S1549 WeakPolarHBondContact O-CA 3.5Å; K1545-S1549 WeakPolarHBondContact O-CB 3.41Å; K1545-S1549 PolarHBondContact O-N 3.41Å; S1549-L1552 PolarHBondContact O-N 3.4Å; S1549-S1553 PolarHBondContact O-N 3.08Å; S1549-S1553 PolarHBondContact O-OG 3.24Å
1550E81.3Confident80.3Confident144 Ų14456.6 Ų56.667%0.67331%0.311SS*.Hα-helixtrans-63.4-40.8177.2-63.9-167.4149.900112.4H1548 L1552 S1553 N1554H1548-E1550 PolarHBondContact O-N 2.93Å; E1550-L1552 VanDerWaalsContact C-N 3.33Å; E1550-L1552 PolarHBondContact O-N 3.15Å; E1550-S1553 WeakPolarHBondContact CA-OG 3.21Å; E1550-S1553 PolarHBondContact O-N 3.21Å; E1550-S1553 PolarHBondContact O-OG 3.12Å; E1550-S1553 VanDerWaalsContact O-OG 3.14Å; E1550-N1554 WeakPolarHBondContact O-CB 3.36Å; E1550-N1554 PolarHBondContact O-N 2.88Å
1551S80.4Confident79.9Confident23 Ų2359.8 Ų59.816%0.16133%0.328CS..Hα-helixtrans-70.5-30.9177.5810000112.6H1548 I1562H1548-S1551 WeakPolarHBondContact CB-OG 3.46Å; H1548-S1551 PolarHBondContact O-N 2.98Å; H1548-S1551 PolarHBondContact O-OG 3.36Å; S1551-I1562 WeakPolarHBondContact O-CD1 3.49Å
1552L80.5Confident79.4Confident0 Ų059 Ų590%033%0.325CS..Hα-helixtrans-74.4-36.5176.3-67.7172.5000111.6V1325 R1328 I1332 L1544 K1545 H1548 S1549 E1550V1325-L1552 HydrophobicContact CG1-CB 4.35Å; V1325-L1552 HydrophobicContact CG1-CD1 4.29Å; R1328-L1552 WeakPolarHBondContact CD-O 3.41Å; R1328-L1552 PolarHBondContact NE-O 2.89Å; R1328-L1552 PolarHBondContact NH2-O 3.11Å; I1332-L1552 HydrophobicContact CD1-CD2 3.57Å; L1544-L1552 HydrophobicContact CG-CD1 4.42Å; K1545-L1552 HydrophobicContact CG-CD1 4.34Å; H1548-L1552 PolarHBondContact O-N 3.32Å; S1549-L1552 PolarHBondContact O-N 3.4Å; E1550-L1552 VanDerWaalsContact C-N 3.33Å; E1550-L1552 PolarHBondContact O-N 3.15Å
1553S79.2Confident78.9Confident9 Ų958.6 Ų58.66%0.06332%0.32CS..Hα-helixtrans-77.9-30.1175.746.50000112.9S1549 E1550 T1555S1549-S1553 PolarHBondContact O-N 3.08Å; S1549-S1553 PolarHBondContact O-OG 3.24Å; E1550-S1553 WeakPolarHBondContact CA-OG 3.21Å; E1550-S1553 PolarHBondContact O-N 3.21Å; E1550-S1553 PolarHBondContact O-OG 3.12Å; E1550-S1553 VanDerWaalsContact O-OG 3.14Å; S1553-T1555 PolarHBondContact O-N 3.11Å; S1553-T1555 PolarHBondContact O-OG1 2.04Å
1554N76.7Confident78.4Confident68 Ų6859 Ų5936%0.36433%0.334SS..  trans-69.9102.9178-171.2-16.9000112.2R1328 E1550 S1556R1328-N1554 PolarHBondContact NH2-O 2.79Å; E1550-N1554 WeakPolarHBondContact O-CB 3.36Å; E1550-N1554 PolarHBondContact O-N 2.88Å; N1554-S1556 VanDerWaalsContact C-N 3.26Å; N1554-S1556 PolarHBondContact O-N 3.05Å; N1554-S1556 WeakPolarHBondContact OD1-CB 3.41Å; N1554-S1556 PolarHBondContact OD1-N 3.33Å; N1554-S1556 PolarHBondContact OD1-OG 2.92Å
1555T68.7Low78Confident41 Ų4162.4 Ų62.425%0.25236%0.362SS..THydrogen-bonded Turntrans-71.3-11.6-178.9-57.50000114.5M1208 S1210 S1553M1208-T1555 HydrophobicContact CB-CG2 3.72Å; M1208-T1555 HydrophobicContact CG-CG2 4.36Å; M1208-T1555 HydrophobicContact SD-CG2 3.83Å; M1208-T1555 PolarHBondContact SD-OG1 3.01Å; S1210-T1555 WeakPolarHBondContact CB-O 3.44Å; S1553-T1555 PolarHBondContact O-N 3.11Å; S1553-T1555 PolarHBondContact O-OG1 2.04Å
1556S73.6Confident77.5Confident83 Ų8361.9 Ų61.958%0.5836%0.36SS*.THydrogen-bonded Turntrans-71.7-28.5-177.466.70000114.4S1210 N1554S1210-S1556 WeakPolarHBondContact CB-O 3.42Å; S1210-S1556 PolarHBondContact OG-O 2.89Å; N1554-S1556 VanDerWaalsContact C-N 3.26Å; N1554-S1556 PolarHBondContact O-N 3.05Å; N1554-S1556 WeakPolarHBondContact OD1-CB 3.41Å; N1554-S1556 PolarHBondContact OD1-N 3.33Å; N1554-S1556 PolarHBondContact OD1-OG 2.92Å
1557R73.3Confident77.1Confident139 Ų13963.2 Ų63.253%0.52536%0.36SS..SBendtrans-89.5140.8-178.8-63.5-176178.5-176.40.2111.1I1562R1557-I1562 HydrophobicContact CB-CD1 4.12Å; R1557-I1562 HydrophobicContact CB-CG1 3.94Å
1558K68.9Low76.7Confident91 Ų9163.2 Ų63.240%0.39635%0.348SS..  trans-71.3150.5173.4-51.7168.6-173.2163.30109.6S1210 T1560 D1561 I1562S1210-K1558 VanDerWaalsContact OG-CG 3.3Å; S1210-K1558 WeakPolarHBondContact OG-CG 3.49Å; K1558-T1560 WeakPolarHBondContact CB-OG1 3.41Å; K1558-T1560 PolarHBondContact O-N 3.13Å; K1558-D1561 WeakPolarHBondContact CB-OD2 3.37Å; K1558-D1561 WeakPolarHBondContact CD-OD2 3.45Å; K1558-D1561 WeakPolarHBondContact CG-OD2 3.45Å; K1558-D1561 PolarHBondContact O-N 3.37Å; K1558-D1561 VanDerWaalsContact O-N 3.08Å; K1558-I1562 WeakPolarHBondContact O-CG1 3.5Å; K1558-I1562 PolarHBondContact O-N 2.94Å
1559L75.2Confident76.3Confident19 Ų1964.3 Ų64.310%0.09936%0.36CS..Hα-helixtrans-65.8-25.2177.4-77.676.7000113V1207 R1328 V1331 D1561 R1563V1207-L1559 HydrophobicContact CG1-CD1 3.97Å; V1207-L1559 HydrophobicContact CG1-CD2 3.62Å; V1207-L1559 HydrophobicContact CG1-CG 4.47Å; R1328-L1559 HydrophobicContact CB-CD2 4.32Å; R1328-L1559 HydrophobicContact CG-CD2 4.3Å; V1331-L1559 HydrophobicContact CB-CD2 3.83Å; V1331-L1559 HydrophobicContact CG1-CD2 3.76Å; L1559-D1561 VanDerWaalsContact C-N 3.34Å; L1559-R1563 VanDerWaalsContact O-CB 3.27Å; L1559-R1563 WeakPolarHBondContact O-CB 3.32Å; L1559-R1563 PolarHBondContact O-N 3.37Å
1560T74.6Confident76.2Confident93 Ų9364.6 Ų64.657%0.57136%0.362SS*.Hα-helixtrans-58.7-48.4169.341.90000111.1K1558 R1563 S1564K1558-T1560 WeakPolarHBondContact CB-OG1 3.41Å; K1558-T1560 PolarHBondContact O-N 3.13Å; T1560-R1563 PolarHBondContact O-N 3.04Å; T1560-S1564 PolarHBondContact O-N 2.91Å; T1560-S1564 PolarHBondContact O-OG 3.34Å
1561D79.4Confident75.9Confident69 Ų6958 Ų5837%0.36933%0.331SS..Hα-helixtrans-73.9-37.7-171.2-41.8-9.9000109.7K1558 L1559 S1564 A1565K1558-D1561 WeakPolarHBondContact CB-OD2 3.37Å; K1558-D1561 WeakPolarHBondContact CD-OD2 3.45Å; K1558-D1561 WeakPolarHBondContact CG-OD2 3.45Å; K1558-D1561 PolarHBondContact O-N 3.37Å; K1558-D1561 VanDerWaalsContact O-N 3.08Å; L1559-D1561 VanDerWaalsContact C-N 3.34Å; D1561-S1564 WeakPolarHBondContact CA-OG 3.49Å; D1561-S1564 PolarHBondContact O-N 3.39Å; D1561-S1564 PolarHBondContact O-OG 3.16Å; D1561-A1565 WeakPolarHBondContact O-CB 3.23Å; D1561-A1565 PolarHBondContact O-N 3.07Å
1562I78.1Confident75.8Confident4 Ų460.3 Ų60.32%0.02134%0.339CS..Hα-helixtrans-60.9-47168.7-62.6166.1000110.1I1332 S1551 R1557 K1558 S1564 A1565 V1566I1332-I1562 HydrophobicContact CD1-CG2 3.88Å; S1551-I1562 WeakPolarHBondContact O-CD1 3.49Å; R1557-I1562 HydrophobicContact CB-CD1 4.12Å; R1557-I1562 HydrophobicContact CB-CG1 3.94Å; K1558-I1562 WeakPolarHBondContact O-CG1 3.5Å; K1558-I1562 PolarHBondContact O-N 2.94Å; I1562-S1564 VanDerWaalsContact C-N 3.29Å; I1562-S1564 PolarHBondContact O-N 3.07Å; I1562-A1565 PolarHBondContact O-N 3.2Å; I1562-A1565 VanDerWaalsContact O-N 3.1Å; I1562-V1566 HydrophobicContact CG2-CG2 4.23Å; I1562-V1566 VanDerWaalsContact O-CG2 3.31Å; I1562-V1566 WeakPolarHBondContact O-CG2 3.35Å; I1562-V1566 PolarHBondContact O-N 2.9Å
1563R76.7Confident75.8Confident72 Ų7263.2 Ų63.227%0.27236%0.355SS..Hα-helixtrans-64.6-29.1179.5179.7172.1169.4154.7-11.7113.4I1332 N1335 L1559 T1560 L1568I1332-R1563 HydrophobicContact CG2-CB 4.42Å; I1332-R1563 HydrophobicContact CG2-CG 4.48Å; I1332-R1563 WeakPolarHBondContact O-CD 3.18Å; I1332-R1563 PolarHBondContact O-NH1 3.5Å; N1335-R1563 PolarHBondContact OD1-NH1 2.89Å; N1335-R1563 PolarHBondContact OD1-NH2 3.32Å; L1559-R1563 VanDerWaalsContact O-CB 3.27Å; L1559-R1563 WeakPolarHBondContact O-CB 3.32Å; L1559-R1563 PolarHBondContact O-N 3.37Å; T1560-R1563 PolarHBondContact O-N 3.04Å; R1563-L1568 HydrophobicContact CG-CD1 4.22Å
1564S76.9Confident75.9Confident100 Ų10062.8 Ų62.870%0.69935%0.352SS*.Hα-helixtrans-81-21.7172.249.30000114.2T1560 D1561 I1562T1560-S1564 PolarHBondContact O-N 2.91Å; T1560-S1564 PolarHBondContact O-OG 3.34Å; D1561-S1564 WeakPolarHBondContact CA-OG 3.49Å; D1561-S1564 PolarHBondContact O-N 3.39Å; D1561-S1564 PolarHBondContact O-OG 3.16Å; I1562-S1564 VanDerWaalsContact C-N 3.29Å; I1562-S1564 PolarHBondContact O-N 3.07Å
1565A78.8Confident76Confident71 Ų7165.2 Ų65.259%0.58736%0.361SS*.Hα-helixtrans-89.4-13.117700000113.5D1561 I1562D1561-A1565 WeakPolarHBondContact O-CB 3.23Å; D1561-A1565 PolarHBondContact O-N 3.07Å; I1562-A1565 PolarHBondContact O-N 3.2Å; I1562-A1565 VanDerWaalsContact O-N 3.1Å
1566V75.5Confident76.5Confident7 Ų765.5 Ų65.54%0.04237%0.365CS..SBendtrans-93.1119.5175.6169.10000109.2L1544 I1562 L1568 L1571L1544-V1566 HydrophobicContact CD1-CG1 4.12Å; L1544-V1566 HydrophobicContact CD1-CG2 4.25Å; I1562-V1566 HydrophobicContact CG2-CG2 4.23Å; I1562-V1566 VanDerWaalsContact O-CG2 3.31Å; I1562-V1566 WeakPolarHBondContact O-CG2 3.35Å; I1562-V1566 PolarHBondContact O-N 2.9Å; V1566-L1568 VanDerWaalsContact C-N 3.29Å; V1566-L1568 PolarHBondContact O-N 2.92Å; V1566-L1571 HydrophobicContact CG1-CD1 3.48Å; V1566-L1571 VanDerWaalsContact CG1-CD1 3.48Å; V1566-L1571 HydrophobicContact CG1-CG 4.35Å
1567D75.7Confident76.6Confident122 Ų12263.5 Ų63.565%0.65235%0.353SS*.  trans-66.384.6174.2-82.6-40.9000111.4P1569 S1570D1567-P1569 VanDerWaalsContact C-N 3.32Å; D1567-S1570 WeakPolarHBondContact O-CB 3.37Å; D1567-S1570 PolarHBondContact O-N 2.88Å; D1567-S1570 PolarHBondContact O-OG 2.89Å
1568L72.9Confident77.1Confident53 Ų5362.7 Ų62.728%0.27736%0.359SS..Hα-helixtrans-48.9-41.8179.9-75.3164.7000113.8R1563 V1566 S1570 L1571 Q1572R1563-L1568 HydrophobicContact CG-CD1 4.22Å; V1566-L1568 VanDerWaalsContact C-N 3.29Å; V1566-L1568 PolarHBondContact O-N 2.92Å; L1568-S1570 VanDerWaalsContact C-N 3.28Å; L1568-S1570 PolarHBondContact O-N 3.3Å; L1568-L1571 PolarHBondContact O-N 3.32Å; L1568-L1571 VanDerWaalsContact O-N 3.14Å; L1568-Q1572 WeakPolarHBondContact O-CG 3.31Å; L1568-Q1572 PolarHBondContact O-N 3.08Å
1569P75.7Confident77.8Confident82 Ų8260.3 Ų60.353%0.53235%0.351SS..Hα-helixtrans-61-33176-23.835.5000113.7D1567 L1571 Q1572D1567-P1569 VanDerWaalsContact C-N 3.32Å; P1569-L1571 PolarHBondContact O-N 2.69Å; P1569-Q1572 PolarHBondContact O-N 2.88Å
1570S78.3Confident78Confident66 Ų6659.5 Ų59.546%0.46235%0.347SS..Hα-helixtrans-68.9-22.917879.70000112.9K1543 D1567 L1568K1543-S1570 PolarHBondContact NZ-O 3.49Å; D1567-S1570 WeakPolarHBondContact O-CB 3.37Å; D1567-S1570 PolarHBondContact O-N 2.88Å; D1567-S1570 PolarHBondContact O-OG 2.89Å; L1568-S1570 VanDerWaalsContact C-N 3.28Å; L1568-S1570 PolarHBondContact O-N 3.3Å
1571L75.4Confident78.2Confident5 Ų559.1 Ų59.13%0.02634%0.338CS..Hα-helixtrans-84.6-22.9177.1-65.5179.4000112.9E1540 K1543 L1544 V1566 L1568 P1569 L1573E1540-L1571 WeakPolarHBondContact CG-O 3.21Å; K1543-L1571 HydrophobicContact CB-CD2 4.23Å; K1543-L1571 HydrophobicContact CD-CD2 3.92Å; K1543-L1571 HydrophobicContact CG-CD2 3.81Å; L1544-L1571 HydrophobicContact CB-CD1 4.28Å; L1544-L1571 HydrophobicContact CD1-CD1 4.01Å; V1566-L1571 HydrophobicContact CG1-CD1 3.48Å; V1566-L1571 VanDerWaalsContact CG1-CD1 3.48Å; V1566-L1571 HydrophobicContact CG1-CG 4.35Å; L1568-L1571 PolarHBondContact O-N 3.32Å; L1568-L1571 VanDerWaalsContact O-N 3.14Å; P1569-L1571 PolarHBondContact O-N 2.69Å; L1571-L1573 PolarHBondContact O-N 3.26Å
1572Q77.7Confident78.5Confident72 Ų7262.7 Ų62.734%0.33635%0.351SS..  trans-66.1126-173.8-71.1173.84.800112.2E1540 L1568 P1569E1540-Q1572 WeakPolarHBondContact OE1-CA 3.25Å; L1568-Q1572 WeakPolarHBondContact O-CG 3.31Å; L1568-Q1572 PolarHBondContact O-N 3.08Å; P1569-Q1572 PolarHBondContact O-N 2.88Å
1573L81.4Confident78.9Confident62 Ų6263.6 Ų63.633%0.32536%0.355SS..SBendtrans-92.4-4.8177.1-76.2167.9000114.4V1536 K1539 E1540 L1571 M1583V1536-L1573 HydrophobicContact CG1-CB 4.42Å; K1539-L1573 HydrophobicContact CB-CD1 3.42Å; K1539-L1573 VanDerWaalsContact CB-CD1 3.42Å; E1540-L1573 HydrophobicContact CG-CB 4.41Å; E1540-L1573 HydrophobicContact CG-CD1 3.93Å; E1540-L1573 HydrophobicContact CG-CG 4.15Å; E1540-L1573 PolarHBondContact OE1-N 2.88Å; L1571-L1573 PolarHBondContact O-N 3.26Å; L1573-M1583 HydrophobicContact CB-CE 4.24Å; L1573-M1583 HydrophobicContact CD1-CE 3.9Å
1574V81.1Confident79.1Confident0 Ų060.6 Ų60.60%034%0.344CS..  trans-143.3119.7-171.4-177.10000108.7R1336 L1340 Y1532 V1536 D1579 V1580 M1583R1336-V1574 PolarHBondContact NH1-O 3.12Å; R1336-V1574 PolarHBondContact NH2-O 2.9Å; L1340-V1574 HydrophobicContact CD2-CB 3.86Å; L1340-V1574 HydrophobicContact CD2-CG1 4.17Å; L1340-V1574 HydrophobicContact CD2-CG2 4.01Å; Y1532-V1574 WeakPolarHBondContact OH-CG1 3.45Å; Y1532-V1574 WeakPolarHBondContact OH-CG2 3.36Å; V1536-V1574 HydrophobicContact CG1-CG2 4.13Å; V1536-V1574 HydrophobicContact CG2-CG2 4.24Å; V1574-D1579 HydrophobicContact CB-CB 4.35Å; V1574-D1579 HydrophobicContact CG1-CB 4.12Å; V1574-V1580 HydrophobicContact CG1-CG2 3.95Å; V1574-M1583 HydrophobicContact CG2-CG 4.07Å
1575Q77.2Confident79.3Confident119 Ų11959.6 Ų59.656%0.55633%0.334SS*.SBendtrans-133.9-32.9174.7-65.8-176.3-3.300112.3D1579Q1575-D1579 PolarHBondContact N-OD2 3.02Å
1576S80.3Confident79.6Confident47 Ų4758 Ų5833%0.32932%0.321SS..SBendtrans-109.6166.1178.470.50000112.8N1578 D1579S1576-N1578 VanDerWaalsContact C-N 3.28Å; S1576-N1578 PolarHBondContact O-N 3.33Å; S1576-D1579 WeakPolarHBondContact CB-OD2 3.21Å; S1576-D1579 PolarHBondContact N-OD2 3.29Å; S1576-D1579 WeakPolarHBondContact O-CB 3.25Å; S1576-D1579 PolarHBondContact O-N 3.3Å; S1576-D1579 PolarHBondContact OG-N 2.89Å; S1576-D1579 PolarHBondContact OG-OD2 3Å
1577A75.9Confident80Confident41 Ų4157.9 Ų57.934%0.33932%0.32SS..Hα-helixtrans-61.3-35.2172.500000112.5D1579 V1580 E1581A1577-D1579 VanDerWaalsContact C-N 3.29Å; A1577-D1579 PolarHBondContact O-N 2.89Å; A1577-V1580 VanDerWaalsContact O-CB 3.24Å; A1577-V1580 WeakPolarHBondContact O-CB 3.31Å; A1577-V1580 PolarHBondContact O-N 2.99Å; A1577-E1581 PolarHBondContact O-N 2.82Å
1578N83Confident80.1Confident121 Ų12152.9 Ų52.965%0.64730%0.295SS*.Hα-helixtrans-67.1-29.7177.9-62-4.5000112.1S1576 V1580 K1582S1576-N1578 VanDerWaalsContact C-N 3.28Å; S1576-N1578 PolarHBondContact O-N 3.33Å; N1578-V1580 VanDerWaalsContact C-N 3.27Å; N1578-V1580 PolarHBondContact O-N 3.48Å; N1578-K1582 WeakPolarHBondContact O-CB 3.47Å; N1578-K1582 PolarHBondContact O-N 3.3Å; N1578-K1582 VanDerWaalsContact O-N 3.1Å
1579D83.8Confident80.6Confident42 Ų4253.7 Ų53.723%0.22530%0.302CS..Hα-helixtrans-69.2-26.8172.7-59.2-53.4000112.2V1574 Q1575 S1576 A1577 M1583V1574-D1579 HydrophobicContact CB-CB 4.35Å; V1574-D1579 HydrophobicContact CG1-CB 4.12Å; Q1575-D1579 PolarHBondContact N-OD2 3.02Å; S1576-D1579 WeakPolarHBondContact CB-OD2 3.21Å; S1576-D1579 PolarHBondContact N-OD2 3.29Å; S1576-D1579 WeakPolarHBondContact O-CB 3.25Å; S1576-D1579 PolarHBondContact O-N 3.3Å; S1576-D1579 PolarHBondContact OG-N 2.89Å; S1576-D1579 PolarHBondContact OG-OD2 3Å; A1577-D1579 VanDerWaalsContact C-N 3.29Å; A1577-D1579 PolarHBondContact O-N 2.89Å; D1579-M1583 WeakPolarHBondContact O-CB 3.17Å; D1579-M1583 VanDerWaalsContact O-CG 3.28Å; D1579-M1583 WeakPolarHBondContact O-CG 3Å; D1579-M1583 PolarHBondContact O-N 3.21Å
1580V79.9Confident80.8Confident2 Ų252.7 Ų52.71%0.01229%0.292CS..Hα-helixtrans-63.5-54.7174.5-175.30000109.4L1344 Y1532 V1574 A1577 N1578 K1582 M1583 E1584L1344-V1580 HydrophobicContact CD1-CG1 4.21Å; Y1532-V1580 HydrophobicContact CE2-CG1 3.96Å; V1574-V1580 HydrophobicContact CG1-CG2 3.95Å; A1577-V1580 VanDerWaalsContact O-CB 3.24Å; A1577-V1580 WeakPolarHBondContact O-CB 3.31Å; A1577-V1580 PolarHBondContact O-N 2.99Å; N1578-V1580 VanDerWaalsContact C-N 3.27Å; N1578-V1580 PolarHBondContact O-N 3.48Å; V1580-K1582 PolarHBondContact O-N 2.88Å; V1580-M1583 CarbonylContact O-C 3.44Å; V1580-M1583 PolarHBondContact O-N 2.96Å; V1580-E1584 HydrophobicContact CG1-CG 4.41Å; V1580-E1584 PolarHBondContact O-N 3.46Å
1581E78.7Confident81Confident85 Ų8550.6 Ų50.640%0.39727%0.274SS..Hα-helixtrans-61.9-40.7-179.7-68.3167.2-158.700112.5K1347 A1577 M1583 E1584 T1585K1347-E1581 IonicContact NZ-OE1 3.87Å; K1347-E1581 PolarHBondContact NZ-OE1 3.42Å; A1577-E1581 PolarHBondContact O-N 2.82Å; E1581-M1583 VanDerWaalsContact C-N 3.28Å; E1581-M1583 PolarHBondContact O-N 3.4Å; E1581-E1584 PolarHBondContact O-N 2.94Å; E1581-T1585 WeakPolarHBondContact O-CB 3.28Å; E1581-T1585 WeakPolarHBondContact O-CG2 3.42Å; E1581-T1585 PolarHBondContact O-N 3.43Å; E1581-T1585 PolarHBondContact O-OG1 3.47Å
1582K85.6Confident81.1Confident144 Ų14455.4 Ų55.463%0.62630%0.296SS*.Hα-helixtrans-62.1-34174.4-176.7177.8176.1-177.20112.8N1578 V1580 T1585 A1586N1578-K1582 WeakPolarHBondContact O-CB 3.47Å; N1578-K1582 PolarHBondContact O-N 3.3Å; N1578-K1582 VanDerWaalsContact O-N 3.1Å; V1580-K1582 PolarHBondContact O-N 2.88Å; K1582-T1585 WeakPolarHBondContact CA-OG1 3.44Å; K1582-T1585 PolarHBondContact O-OG1 3.25Å; K1582-T1585 VanDerWaalsContact O-OG1 3.1Å; K1582-A1586 PolarHBondContact O-N 2.91Å
1583M85.8Confident81.3Confident22 Ų2259.3 Ų59.311%0.10831%0.314CS..Hα-helixtrans-84.6-32.7176.2-70.7-64.2-72.500112.3Y1532 F1535 V1536 L1573 V1574 D1579 V1580 E1581 A1586 V1587Y1532-M1583 HydrophobicContact CD2-CB 4.45Å; Y1532-M1583 HydrophobicContact CE2-CB 3.71Å; F1535-M1583 HydrophobicContact CD1-CE 3.94Å; F1535-M1583 HydrophobicContact CE1-CE 3.89Å; V1536-M1583 HydrophobicContact CB-CE 4.41Å; V1536-M1583 HydrophobicContact CG2-CB 4.27Å; V1536-M1583 HydrophobicContact CG2-CE 3.79Å; L1573-M1583 HydrophobicContact CB-CE 4.24Å; L1573-M1583 HydrophobicContact CD1-CE 3.9Å; V1574-M1583 HydrophobicContact CG2-CG 4.07Å; D1579-M1583 WeakPolarHBondContact O-CB 3.17Å; D1579-M1583 VanDerWaalsContact O-CG 3.28Å; D1579-M1583 WeakPolarHBondContact O-CG 3Å; D1579-M1583 PolarHBondContact O-N 3.21Å; V1580-M1583 CarbonylContact O-C 3.44Å; V1580-M1583 PolarHBondContact O-N 2.96Å; E1581-M1583 VanDerWaalsContact C-N 3.28Å; E1581-M1583 PolarHBondContact O-N 3.4Å; M1583-A1586 PolarHBondContact O-N 3.24Å; M1583-V1587 WeakPolarHBondContact O-CB 3.37Å; M1583-V1587 WeakPolarHBondContact O-CG2 3.48Å; M1583-V1587 PolarHBondContact O-N 2.98Å
1584E81Confident81.1Confident10 Ų1059.2 Ų59.25%0.04731%0.311CS..Hα-helixtrans-64.7-39.5171.9-75.7-170.2100.400112.2R1528 Y1532 V1580 E1581 V1587 S1588R1528-E1584 VanDerWaalsContact CD-OE1 3.23Å; R1528-E1584 WeakPolarHBondContact CD-OE1 3.2Å; R1528-E1584 WeakPolarHBondContact CG-OE1 3.07Å; R1528-E1584 IonicContact CZ-OE1 3.48Å; R1528-E1584 IonicContact NE-OE1 3.47Å; R1528-E1584 IonicContact NH1-OE1 3.63Å; R1528-E1584 PolarHBondContact NH1-OE1 3.11Å; R1528-E1584 IonicContact NH1-OE2 2.69Å; Y1532-E1584 HydrophobicContact CD2-CG 3.46Å; Y1532-E1584 VanDerWaalsContact CD2-CG 3.46Å; Y1532-E1584 HydrophobicContact CE2-CG 3.87Å; Y1532-E1584 HydrophobicContact CG-CG 4.3Å; V1580-E1584 HydrophobicContact CG1-CG 4.41Å; V1580-E1584 PolarHBondContact O-N 3.46Å; E1581-E1584 PolarHBondContact O-N 2.94Å; E1584-V1587 WeakPolarHBondContact O-CB 3.43Å; E1584-V1587 PolarHBondContact O-N 3.07Å; E1584-S1588 PolarHBondContact O-N 3.29Å
1585T82Confident81.1Confident78 Ų7862.1 Ų62.148%0.47933%0.332SS..Hα-helixtrans-69-37.8173.148.50000112.6E1581 K1582 V1587 S1588 V1589E1581-T1585 WeakPolarHBondContact O-CB 3.28Å; E1581-T1585 WeakPolarHBondContact O-CG2 3.42Å; E1581-T1585 PolarHBondContact O-N 3.43Å; E1581-T1585 PolarHBondContact O-OG1 3.47Å; K1582-T1585 WeakPolarHBondContact CA-OG1 3.44Å; K1582-T1585 PolarHBondContact O-OG1 3.25Å; K1582-T1585 VanDerWaalsContact O-OG1 3.1Å; T1585-V1587 VanDerWaalsContact C-N 3.29Å; T1585-V1587 PolarHBondContact O-N 2.7Å; T1585-S1588 PolarHBondContact O-N 3.19Å; T1585-S1588 PolarHBondContact O-OG 3.4Å; T1585-V1589 WeakPolarHBondContact O-CG2 3.38Å; T1585-V1589 PolarHBondContact O-N 3.32Å
1586A85.6Confident81Confident39 Ų3958 Ų5832%0.32232%0.316SS..Hα-helixtrans-62.1-37.7170.700000112.3F1535 K1582 M1583 D1590F1535-A1586 HydrophobicContact CE1-CB 4.23Å; F1535-A1586 HydrophobicContact CZ-CB 4.49Å; K1582-A1586 PolarHBondContact O-N 2.91Å; M1583-A1586 PolarHBondContact O-N 3.24Å; A1586-D1590 PolarHBondContact O-N 2.96Å; A1586-D1590 VanDerWaalsContact O-N 3.13Å
1587V83.7Confident80.8Confident3 Ų358.7 Ų58.72%0.01832%0.324CS..Hα-helixtrans-67.8-39.6176.1166.30000112.4R1531 F1535 M1583 E1584 T1585 W1591R1531-V1587 HydrophobicContact CG-CG1 3.67Å; R1531-V1587 VanDerWaalsContact CZ-CG1 3.42Å; F1535-V1587 HydrophobicContact CB-CG2 3.47Å; F1535-V1587 VanDerWaalsContact CB-CG2 3.47Å; F1535-V1587 HydrophobicContact CD1-CG2 3.34Å; F1535-V1587 HydrophobicContact CD2-CG2 4.09Å; F1535-V1587 HydrophobicContact CE1-CG2 3.99Å; F1535-V1587 HydrophobicContact CG-CG2 3.38Å; M1583-V1587 WeakPolarHBondContact O-CB 3.37Å; M1583-V1587 WeakPolarHBondContact O-CG2 3.48Å; M1583-V1587 PolarHBondContact O-N 2.98Å; E1584-V1587 WeakPolarHBondContact O-CB 3.43Å; E1584-V1587 PolarHBondContact O-N 3.07Å; T1585-V1587 VanDerWaalsContact C-N 3.29Å; T1585-V1587 PolarHBondContact O-N 2.7Å; V1587-W1591 WeakPolarHBondContact O-CB 3.3Å; V1587-W1591 PolarHBondContact O-N 2.86Å; V1587-W1591 VanDerWaalsContact O-N 3.16Å
1588S76.8Confident81Confident18 Ų1858.3 Ų58.313%0.12632%0.318CS..Hα-helixtrans-66.1-40.1177.770.80000111.5E1584 T1585 W1591 Q1592E1584-S1588 PolarHBondContact O-N 3.29Å; T1585-S1588 PolarHBondContact O-N 3.19Å; T1585-S1588 PolarHBondContact O-OG 3.4Å; S1588-W1591 PolarHBondContact O-N 3.13Å; S1588-Q1592 WeakPolarHBondContact O-CB 3.34Å; S1588-Q1592 VanDerWaalsContact O-CG 3.31Å; S1588-Q1592 WeakPolarHBondContact O-CG 3.11Å; S1588-Q1592 PolarHBondContact O-N 2.77Å
1589V83.5Confident81Confident70 Ų7054.5 Ų54.542%0.42430%0.295SS..Hα-helixtrans-65.5-47.4176.81740000112.3T1585 W1591 Q1592 Q1593T1585-V1589 WeakPolarHBondContact O-CG2 3.38Å; T1585-V1589 PolarHBondContact O-N 3.32Å; V1589-W1591 PolarHBondContact O-N 3.24Å; V1589-Q1592 PolarHBondContact O-N 3.26Å; V1589-Q1593 WeakPolarHBondContact O-CG 3.39Å; V1589-Q1593 PolarHBondContact O-N 2.78Å
1590D81.1Confident81.1Confident60 Ų6054.2 Ų54.232%0.32129%0.293SS..Hα-helixtrans-60.1-32.8176.1164.678.4000112.5F1535 A1586 K1594F1535-D1590 HydrophobicContact CE2-CB 3.97Å; A1586-D1590 PolarHBondContact O-N 2.96Å; A1586-D1590 VanDerWaalsContact O-N 3.13Å; D1590-K1594 WeakPolarHBondContact O-CD 3.46Å; D1590-K1594 WeakPolarHBondContact O-CE 3.41Å; D1590-K1594 PolarHBondContact O-NZ 3.02Å; D1590-K1594 VanDerWaalsContact O-NZ 3.14Å; D1590-K1594 IonicContact OD1-NZ 2.75Å; D1590-K1594 PolarHBondContact OD1-NZ 3.17Å; D1590-K1594 IonicContact OD2-NZ 3.71Å; D1590-K1594 PolarHBondContact OD2-NZ 2.75Å
1591W82.2Confident81.3Confident22 Ų2259.4 Ų59.48%0.08332%0.32CS..Hα-helixtrans-75-43.4174.1-177.282.4000112.3S1520 V1521 N1524 V1587 S1588 V1589 Q1593 K1594 R1599S1520-W1591 WeakPolarHBondContact O-CZ2 3.4Å; S1520-W1591 WeakPolarHBondContact OG-CH2 3.22Å; S1520-W1591 WeakPolarHBondContact OG-CZ2 3.28Å; V1521-W1591 HydrophobicContact CG2-CH2 3.8Å; V1521-W1591 HydrophobicContact CG2-CZ3 4.23Å; N1524-W1591 HydrophobicContact CB-CH2 4.22Å; N1524-W1591 HydrophobicContact CB-CZ2 3.72Å; V1587-W1591 WeakPolarHBondContact O-CB 3.3Å; V1587-W1591 PolarHBondContact O-N 2.86Å; V1587-W1591 VanDerWaalsContact O-N 3.16Å; S1588-W1591 PolarHBondContact O-N 3.13Å; V1589-W1591 PolarHBondContact O-N 3.24Å; W1591-Q1593 VanDerWaalsContact C-N 3.3Å; W1591-Q1593 PolarHBondContact O-N 3.46Å; W1591-K1594 PolarHBondContact O-N 3.29Å; W1591-R1599 HydrophobicContact CD2-CG 4.33Å; W1591-R1599 HydrophobicContact CH2-CB 4.5Å; W1591-R1599 HydrophobicContact CZ2-CB 3.77Å; W1591-R1599 HydrophobicContact CZ2-CG 4.25Å; W1591-R1599 PolarHBondContact NE1-O 2.87Å; W1591-R1599 WeakPolarHBondContact O-CG 3.42Å
1592Q77.5Confident81.5Confident106 Ų10657.8 Ų57.850%0.49531%0.314SS..Hα-helixtrans-62.6-31.7178.6-77.6-179.71.500113.3S1588 V1589 K1594 R1599S1588-Q1592 WeakPolarHBondContact O-CB 3.34Å; S1588-Q1592 VanDerWaalsContact O-CG 3.31Å; S1588-Q1592 WeakPolarHBondContact O-CG 3.11Å; S1588-Q1592 PolarHBondContact O-N 2.77Å; V1589-Q1592 PolarHBondContact O-N 3.26Å; Q1592-K1594 PolarHBondContact O-N 2.78Å; Q1592-R1599 PolarHBondContact O-NE 2.89Å; Q1592-R1599 PolarHBondContact O-NH2 3.4Å
1593Q80.9Confident81.5Confident155 Ų15550.9 Ų50.972%0.72428%0.284SS*.THydrogen-bonded Turntrans-66.7-12.9178-72.9178.111.700114.5V1589 W1591V1589-Q1593 WeakPolarHBondContact O-CG 3.39Å; V1589-Q1593 PolarHBondContact O-N 2.78Å; W1591-Q1593 VanDerWaalsContact C-N 3.3Å; W1591-Q1593 PolarHBondContact O-N 3.46Å
1594K77.7Confident81.6Confident59 Ų5952.6 Ų52.626%0.25730%0.295SS..SBendtrans-87.1157.6-179.5-69.3153.3-167.41640111.5D1590 W1591 Q1592 R1599D1590-K1594 WeakPolarHBondContact O-CD 3.46Å; D1590-K1594 WeakPolarHBondContact O-CE 3.41Å; D1590-K1594 PolarHBondContact O-NZ 3.02Å; D1590-K1594 VanDerWaalsContact O-NZ 3.14Å; D1590-K1594 IonicContact OD1-NZ 2.75Å; D1590-K1594 PolarHBondContact OD1-NZ 3.17Å; D1590-K1594 IonicContact OD2-NZ 3.71Å; D1590-K1594 PolarHBondContact OD2-NZ 2.75Å; W1591-K1594 PolarHBondContact O-N 3.29Å; Q1592-K1594 PolarHBondContact O-N 2.78Å; K1594-R1599 HydrophobicContact CB-CG 4.18Å; K1594-R1599 PolarHBondContact O-NE 2.86Å; K1594-R1599 PolarHBondContact O-NH2 2.97Å
1595S81.3Confident81.8Confident61 Ų6156.1 Ų56.143%0.42732%0.318SS..  trans-70.2150.6178.766.40000111.4A1597 T1598 R1599S1595-A1597 VanDerWaalsContact C-N 3.31Å; S1595-A1597 PolarHBondContact O-N 3.13Å; S1595-A1597 VanDerWaalsContact O-N 3.16Å; S1595-T1598 PolarHBondContact N-OG1 3Å; S1595-T1598 VanDerWaalsContact N-OG1 3.11Å; S1595-T1598 CarbonylContact O-C 3.41Å; S1595-T1598 WeakPolarHBondContact O-CA 3.41Å; S1595-T1598 PolarHBondContact O-N 2.99Å; S1595-T1598 PolarHBondContact O-OG1 2.76Å; S1595-T1598 PolarHBondContact OG-OG1 2.81Å; S1595-R1599 PolarHBondContact O-N 3.32Å
1596S75.3Confident81.9Confident34 Ų3454.2 Ų54.224%0.23830%0.304CS..Hα-helixtrans-50.3-44.7-175.8550000114.2D1517 T1598 R1599 L1600D1517-S1596 WeakPolarHBondContact OD1-CA 3.43Å; D1517-S1596 WeakPolarHBondContact OD1-CB 3.47Å; S1596-T1598 PolarHBondContact O-N 2.74Å; S1596-R1599 WeakPolarHBondContact O-CB 3.18Å; S1596-R1599 PolarHBondContact O-N 3.08Å; S1596-L1600 PolarHBondContact O-N 2.88Å
1597A75.7Confident82Confident60 Ų6053.7 Ų53.750%0.49630%0.298SS..Hα-helixtrans-63.9-36.1175.400000113.4S1595 L1601S1595-A1597 VanDerWaalsContact C-N 3.31Å; S1595-A1597 PolarHBondContact O-N 3.13Å; S1595-A1597 VanDerWaalsContact O-N 3.16Å; A1597-L1601 WeakPolarHBondContact O-CB 3.29Å; A1597-L1601 PolarHBondContact O-N 2.83Å
1598T79.7Confident82.1Confident33 Ų3357.5 Ų57.520%0.20232%0.318CS..Hα-helixtrans-81.3-27.1176.258.70000112.7S1595 S1596 N1602S1595-T1598 PolarHBondContact N-OG1 3Å; S1595-T1598 VanDerWaalsContact N-OG1 3.11Å; S1595-T1598 CarbonylContact O-C 3.41Å; S1595-T1598 WeakPolarHBondContact O-CA 3.41Å; S1595-T1598 PolarHBondContact O-N 2.99Å; S1595-T1598 PolarHBondContact O-OG1 2.76Å; S1595-T1598 PolarHBondContact OG-OG1 2.81Å; S1596-T1598 PolarHBondContact O-N 2.74Å; T1598-N1602 WeakPolarHBondContact O-CB 3.45Å; T1598-N1602 PolarHBondContact O-N 2.86Å; T1598-N1602 PolarHBondContact O-ND2 2.75Å
1599R83.2Confident82.4Confident42 Ų4257 Ų5716%0.15832%0.315CS..Hα-helixtrans-60-48.9166.6-70-176.7-161.3145.3-3.9110.7D1517 W1591 Q1592 K1594 S1595 S1596 N1602 A1603D1517-R1599 IonicContact OD1-CZ 2.61Å; D1517-R1599 IonicContact OD1-NH1 3.83Å; D1517-R1599 PolarHBondContact OD1-NH1 2.97Å; D1517-R1599 IonicContact OD2-NH1 3.55Å; D1517-R1599 PolarHBondContact OD2-NH1 2.85Å; W1591-R1599 HydrophobicContact CD2-CG 4.33Å; W1591-R1599 HydrophobicContact CH2-CB 4.5Å; W1591-R1599 HydrophobicContact CZ2-CB 3.77Å; W1591-R1599 HydrophobicContact CZ2-CG 4.25Å; W1591-R1599 PolarHBondContact NE1-O 2.87Å; W1591-R1599 WeakPolarHBondContact O-CG 3.42Å; Q1592-R1599 PolarHBondContact O-NE 2.89Å; Q1592-R1599 PolarHBondContact O-NH2 3.4Å; K1594-R1599 HydrophobicContact CB-CG 4.18Å; K1594-R1599 PolarHBondContact O-NE 2.86Å; K1594-R1599 PolarHBondContact O-NH2 2.97Å; S1595-R1599 PolarHBondContact O-N 3.32Å; S1596-R1599 WeakPolarHBondContact O-CB 3.18Å; S1596-R1599 PolarHBondContact O-N 3.08Å; R1599-N1602 PolarHBondContact O-N 2.92Å; R1599-A1603 WeakPolarHBondContact O-CB 3.47Å; R1599-A1603 PolarHBondContact O-N 2.89Å
1600L86.4Confident82.4Confident35 Ų3555.1 Ų55.118%0.18331%0.307CS..Hα-helixtrans-61.8-48.9177.9-178.561.8000111.6L1516 C1519 L1523 S1596 N1602 A1603 V1604L1516-L1600 HydrophobicContact CD2-CD2 3.6Å; C1519-L1600 HydrophobicContact CB-CD1 4.35Å; L1523-L1600 HydrophobicContact CD1-CD1 3.77Å; S1596-L1600 PolarHBondContact O-N 2.88Å; L1600-N1602 VanDerWaalsContact C-N 3.34Å; L1600-N1602 PolarHBondContact O-N 3.05Å; L1600-A1603 WeakPolarHBondContact O-CB 3.48Å; L1600-A1603 PolarHBondContact O-N 3.38Å; L1600-A1603 VanDerWaalsContact O-N 3.12Å; L1600-V1604 HydrophobicContact CD1-CG2 4.4Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.36Å; L1600-V1604 PolarHBondContact O-N 3.28Å
1601L84.4Confident82.6Confident111 Ų11155.7 Ų55.758%0.58131%0.307SS*.Hα-helixtrans-59.7-43.5178.2-17762.6000112.1A1597 V1604 V1605A1597-L1601 WeakPolarHBondContact O-CB 3.29Å; A1597-L1601 PolarHBondContact O-N 2.83Å; L1601-V1604 PolarHBondContact O-N 2.92Å; L1601-V1605 WeakPolarHBondContact O-CG2 3.49Å; L1601-V1605 PolarHBondContact O-N 2.8Å
1602N83.3Confident82.9Confident51 Ų5155 Ų5527%0.27331%0.306SS..Hα-helixtrans-66-36.2175.2-75.6-56.7000112.3T1598 R1599 L1600 N1606T1598-N1602 WeakPolarHBondContact O-CB 3.45Å; T1598-N1602 PolarHBondContact O-N 2.86Å; T1598-N1602 PolarHBondContact O-ND2 2.75Å; R1599-N1602 PolarHBondContact O-N 2.92Å; L1600-N1602 VanDerWaalsContact C-N 3.34Å; L1600-N1602 PolarHBondContact O-N 3.05Å; N1602-N1606 VanDerWaalsContact O-CB 3.26Å; N1602-N1606 WeakPolarHBondContact O-CB 3.42Å; N1602-N1606 PolarHBondContact O-N 2.84Å; N1602-N1606 PolarHBondContact O-ND2 2.85Å
1603A85.4Confident83.4Confident0 Ų052.2 Ų52.20%029%0.294CS..Hα-helixtrans-65.3-43.8175.300000111.8L1523 N1524 C1527 R1599 L1600 N1606 C1607L1523-A1603 HydrophobicContact CB-CB 3.84Å; N1524-A1603 HydrophobicContact CB-CB 4.29Å; C1527-A1603 PolarHBondContact SG-O 3.01Å; R1599-A1603 WeakPolarHBondContact O-CB 3.47Å; R1599-A1603 PolarHBondContact O-N 2.89Å; L1600-A1603 WeakPolarHBondContact O-CB 3.48Å; L1600-A1603 PolarHBondContact O-N 3.38Å; L1600-A1603 VanDerWaalsContact O-N 3.12Å; A1603-N1606 PolarHBondContact O-N 3.47Å; A1603-C1607 WeakPolarHBondContact O-CB 3.49Å; A1603-C1607 PolarHBondContact O-N 3.47Å
1604V86.1Confident83.5Confident57 Ų5749.2 Ų49.235%0.34528%0.282SS..Hα-helixtrans-61.9-47.3175.1173.10000111.5L1523 L1600 L1601 N1606 C1607 I1608L1523-V1604 HydrophobicContact CD1-CG2 3.72Å; L1600-V1604 HydrophobicContact CD1-CG2 4.4Å; L1600-V1604 WeakPolarHBondContact O-CG2 3.36Å; L1600-V1604 PolarHBondContact O-N 3.28Å; L1601-V1604 PolarHBondContact O-N 2.92Å; V1604-N1606 VanDerWaalsContact C-N 3.34Å; V1604-N1606 PolarHBondContact O-N 3.42Å; V1604-C1607 WeakPolarHBondContact O-CB 3.42Å; V1604-C1607 PolarHBondContact O-N 3.32Å; V1604-I1608 HydrophobicContact CG1-CD1 3.98Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.46Å; V1604-I1608 PolarHBondContact O-N 2.88Å
1605V85.3Confident83.9Confident85 Ų8549.1 Ų49.152%0.51528%0.284SS..Hα-helixtrans-63.7-39.3178.3171.50000111.6L1601 C1607 G1609L1601-V1605 WeakPolarHBondContact O-CG2 3.49Å; L1601-V1605 PolarHBondContact O-N 2.8Å; V1605-C1607 VanDerWaalsContact C-N 3.35Å; V1605-G1609 PolarHBondContact O-N 2.98Å
1606N85.3Confident84.4Confident37 Ų3746.2 Ų46.220%0.19826%0.263CS..Hα-helixtrans-68-32.6174.7-74.7-25.8000112.7C1527 H1530 N1602 A1603 V1604 G1609 A1610C1527-N1606 HydrophobicContact CB-CB 4.03Å; H1530-N1606 PolarHBondContact ND1-O 2.8Å; N1602-N1606 VanDerWaalsContact O-CB 3.26Å; N1602-N1606 WeakPolarHBondContact O-CB 3.42Å; N1602-N1606 PolarHBondContact O-N 2.84Å; N1602-N1606 PolarHBondContact O-ND2 2.85Å; A1603-N1606 PolarHBondContact O-N 3.47Å; V1604-N1606 VanDerWaalsContact C-N 3.34Å; V1604-N1606 PolarHBondContact O-N 3.42Å; N1606-G1609 PolarHBondContact O-N 2.97Å; N1606-A1610 WeakPolarHBondContact O-CB 3.49Å; N1606-A1610 PolarHBondContact O-N 3.27Å
1607C87.2Confident85.1Confident29 Ų2944.8 Ų44.820%0.19625%0.253CS..Hα-helixtrans-67.9-47.5177.2-170.30000111.3C1527 A1603 V1604 V1605 G1609 A1610 H1611C1527-C1607 WeakPolarHBondContact SG-CA 3.45Å; C1527-C1607 WeakPolarHBondContact SG-CB 3.3Å; C1527-C1607 PolarHBondContact SG-N 3.21Å; A1603-C1607 WeakPolarHBondContact O-CB 3.49Å; A1603-C1607 PolarHBondContact O-N 3.47Å; V1604-C1607 WeakPolarHBondContact O-CB 3.42Å; V1604-C1607 PolarHBondContact O-N 3.32Å; V1605-C1607 VanDerWaalsContact C-N 3.35Å; C1607-G1609 VanDerWaalsContact C-N 3.28Å; C1607-G1609 PolarHBondContact O-N 3.2Å; C1607-A1610 PolarHBondContact O-N 2.97Å; C1607-H1611 PolarHBondContact O-N 2.73Å; C1607-H1611 VanDerWaalsContact O-N 3.07Å
1608I86.3Confident85.7Confident83 Ų8346 Ų4643%0.42625%0.247SC..Hα-helixtrans-61.7-38.3174.5-66168.2000110.6V1604 T1612 L1615 F1720V1604-I1608 HydrophobicContact CG1-CD1 3.98Å; V1604-I1608 WeakPolarHBondContact O-CG1 3.46Å; V1604-I1608 PolarHBondContact O-N 2.88Å; I1608-T1612 WeakPolarHBondContact O-CG2 3.31Å; I1608-L1615 HydrophobicContact CG2-CD1 4.05Å; I1608-F1720 HydrophobicContact CG2-CE1 4.3Å
1609G83.8Confident86.2Confident6 Ų646.6 Ų46.66%0.06225%0.247CC..Hα-helixtrans-67-35.9174.500000114.2V1605 N1606 C1607V1605-G1609 PolarHBondContact O-N 2.98Å; N1606-G1609 PolarHBondContact O-N 2.97Å; C1607-G1609 VanDerWaalsContact C-N 3.28Å; C1607-G1609 PolarHBondContact O-N 3.2Å
1610A83.3Confident86.6Confident31 Ų3144.6 Ų44.626%0.25624%0.239SC..Hα-helixtrans-70.4-47179.300000112.9H1530 N1606 C1607H1530-A1610 HydrophobicContact CB-CB 3.67Å; N1606-A1610 WeakPolarHBondContact O-CB 3.49Å; N1606-A1610 PolarHBondContact O-N 3.27Å; C1607-A1610 PolarHBondContact O-N 2.97Å
1611H85.1Confident86.8Confident73 Ų7343.1 Ų43.134%0.33823%0.232SC..THydrogen-bonded Turntrans-105.440.2-170.1-61.7-60.8000113.6C1607 D1613 I1614 L1615C1607-H1611 PolarHBondContact O-N 2.73Å; C1607-H1611 VanDerWaalsContact O-N 3.07Å; H1611-D1613 PolarHBondContact O-N 2.96Å; H1611-I1614 HydrophobicContact CB-CD1 4.3Å; H1611-I1614 PolarHBondContact O-N 3.45Å; H1611-L1615 WeakPolarHBondContact O-CG 3.34Å; H1611-L1615 PolarHBondContact O-N 2.96Å
1612T88.7Confident86.9Confident8 Ų838.6 Ų38.65%0.04921%0.208CC..Hα-helixtrans-66.4-23.3179.744.40000114I1608 C1616 F1720 H1721 M1724I1608-T1612 WeakPolarHBondContact O-CG2 3.31Å; T1612-C1616 PolarHBondContact O-N 3.31Å; T1612-C1616 PolarHBondContact O-SG 3.34Å; T1612-F1720 HydrophobicContact CG2-CD1 3.64Å; T1612-F1720 HydrophobicContact CG2-CE1 3.43Å; T1612-F1720 VanDerWaalsContact CG2-CE1 3.43Å; T1612-H1721 WeakPolarHBondContact CB-ND1 3.23Å; T1612-H1721 PolarHBondContact OG1-ND1 3.03Å; T1612-M1724 HydrophobicContact CG2-CG 4.16Å
1613D86.7Confident87.2Confident47 Ų4736.2 Ų36.225%0.25120%0.195SC..Hα-helixtrans-71.1-48.2174.958.8-25.2000112.1H1611 L1615 C1616 Y1617 W1655H1611-D1613 PolarHBondContact O-N 2.96Å; D1613-L1615 VanDerWaalsContact C-N 3.27Å; D1613-L1615 PolarHBondContact O-N 3.2Å; D1613-C1616 WeakPolarHBondContact O-CB 3.43Å; D1613-C1616 PolarHBondContact O-N 3.32Å; D1613-C1616 VanDerWaalsContact O-N 3.1Å; D1613-Y1617 PolarHBondContact O-N 2.92Å; D1613-W1655 HydrophobicContact CB-CH2 4.12Å; D1613-W1655 HydrophobicContact CB-CZ2 4.05Å
1614I84.6Confident87.4Confident91 Ų9136.2 Ų36.247%0.46720%0.195SC..Hα-helixtrans-60.9-38.7176-62.7172.9000110.4H1611 Y1617 F1618H1611-I1614 HydrophobicContact CB-CD1 4.3Å; H1611-I1614 PolarHBondContact O-N 3.45Å; I1614-Y1617 PolarHBondContact O-N 3.27Å; I1614-F1618 WeakPolarHBondContact O-CB 3.28Å; I1614-F1618 PolarHBondContact O-N 2.84Å
1615L86.1Confident87.4Confident57 Ų5733.9 Ų33.930%0.29818%0.181SC..Hα-helixtrans-62-42.5173.7-70.8172000112.2I1608 H1611 D1613 Y1617 F1618 F1619I1608-L1615 HydrophobicContact CG2-CD1 4.05Å; H1611-L1615 WeakPolarHBondContact O-CG 3.34Å; H1611-L1615 PolarHBondContact O-N 2.96Å; D1613-L1615 VanDerWaalsContact C-N 3.27Å; D1613-L1615 PolarHBondContact O-N 3.2Å; L1615-Y1617 PolarHBondContact O-N 2.91Å; L1615-F1618 PolarHBondContact O-N 3.38Å; L1615-F1619 HydrophobicContact CB-CE2 4.39Å; L1615-F1619 WeakPolarHBondContact O-CD2 3.21Å; L1615-F1619 PolarHBondContact O-N 3.38Å
1616C91.2Very high87.3Confident0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-62-43.1175.1-67.80000112T1612 D1613 F1619 A1620 W1655 M1658 L1714 L1718T1612-C1616 PolarHBondContact O-N 3.31Å; T1612-C1616 PolarHBondContact O-SG 3.34Å; D1613-C1616 WeakPolarHBondContact O-CB 3.43Å; D1613-C1616 PolarHBondContact O-N 3.32Å; D1613-C1616 VanDerWaalsContact O-N 3.1Å; C1616-F1619 PolarHBondContact O-N 3.14Å; C1616-A1620 WeakPolarHBondContact O-CB 3.28Å; C1616-A1620 PolarHBondContact O-N 2.83Å; C1616-W1655 HydrophobicContact CB-CH2 3.99Å; C1616-W1655 HydrophobicContact CB-CZ3 3.69Å; C1616-M1658 HydrophobicContact CB-CE 4.31Å; C1616-L1714 WeakPolarHBondContact O-CD1 3.48Å; C1616-L1718 HydrophobicContact CB-CD2 4.41Å
1617Y89.9Confident87Confident5 Ų532 Ų322%0.0217%0.167CC..Hα-helixtrans-65.1-41.3176.8-58-27.1000112.1D1613 I1614 L1615 A1620 I1621 G1643 N1644 P1650 F1654 W1655 M1658 L1943D1613-Y1617 PolarHBondContact O-N 2.92Å; I1614-Y1617 PolarHBondContact O-N 3.27Å; L1615-Y1617 PolarHBondContact O-N 2.91Å; Y1617-A1620 PolarHBondContact O-N 3.31Å; Y1617-I1621 WeakPolarHBondContact O-CD1 3.11Å; Y1617-I1621 WeakPolarHBondContact O-CG1 3.4Å; Y1617-I1621 PolarHBondContact O-N 2.88Å; Y1617-G1643 VanDerWaalsContact OH-C 3.24Å; Y1617-G1643 WeakPolarHBondContact OH-CA 3.49Å; Y1617-G1643 PolarHBondContact OH-O 3.12Å; Y1617-N1644 HydrophobicContact CE2-CB 4.34Å; Y1617-P1650 WeakPolarHBondContact OH-CG 3.12Å; Y1617-F1654 AromaticContact CE1-CE1 3.92Å; Y1617-F1654 HydrophobicContact CE1-CE1 3.92Å; Y1617-F1654 AromaticContact CE1-CZ 3.82Å; Y1617-F1654 HydrophobicContact CE1-CZ 3.82Å; Y1617-W1655 AromaticContact CE1-CH2 3.83Å; Y1617-W1655 HydrophobicContact CE1-CH2 3.83Å; Y1617-W1655 HydrophobicContact CE1-CZ2 4.37Å; Y1617-M1658 HydrophobicContact CD1-CE 4.45Å; Y1617-L1943 HydrophobicContact CD2-CD2 4.37Å
1618F88Confident86.4Confident85 Ų8531.4 Ų31.437%0.37317%0.166SC..Hα-helixtrans-59.2-47.8174.7178.2-98.9000111.4I1614 L1615 A1620 I1621 M1622I1614-F1618 WeakPolarHBondContact O-CB 3.28Å; I1614-F1618 PolarHBondContact O-N 2.84Å; L1615-F1618 PolarHBondContact O-N 3.38Å; F1618-A1620 VanDerWaalsContact C-N 3.34Å; F1618-A1620 PolarHBondContact O-N 2.73Å; F1618-I1621 PolarHBondContact O-N 3.02Å; F1618-M1622 HydrophobicContact CD1-CG 3.97Å; F1618-M1622 HydrophobicContact CD2-CE 4.17Å; F1618-M1622 HydrophobicContact CE1-CG 3.54Å; F1618-M1622 HydrophobicContact CE1-SD 4.07Å; F1618-M1622 HydrophobicContact CE2-CE 3.59Å; F1618-M1622 HydrophobicContact CE2-CG 4.27Å; F1618-M1622 HydrophobicContact CE2-SD 4.08Å; F1618-M1622 HydrophobicContact CG-CG 4.5Å; F1618-M1622 HydrophobicContact CZ-CE 3.79Å; F1618-M1622 HydrophobicContact CZ-CG 3.71Å; F1618-M1622 HydrophobicContact CZ-SD 3.61Å; F1618-M1622 WeakPolarHBondContact O-CG 3.2Å; F1618-M1622 PolarHBondContact O-N 3.09Å
1619F91Very high86.1Confident45 Ų4527.5 Ų27.520%0.19715%0.147CC..Hα-helixtrans-67.7-30.5177.6-67.4-55000113.5L1615 C1616 M1622 T1623 V1713 L1714 S1717L1615-F1619 HydrophobicContact CB-CE2 4.39Å; L1615-F1619 WeakPolarHBondContact O-CD2 3.21Å; L1615-F1619 PolarHBondContact O-N 3.38Å; C1616-F1619 PolarHBondContact O-N 3.14Å; F1619-M1622 PolarHBondContact O-N 3.24Å; F1619-T1623 WeakPolarHBondContact O-CB 3.46Å; F1619-T1623 PolarHBondContact O-N 3.24Å; F1619-T1623 PolarHBondContact O-OG1 3.15Å; F1619-V1713 HydrophobicContact CD1-CG1 3.69Å; F1619-V1713 HydrophobicContact CD2-CG1 4.36Å; F1619-V1713 HydrophobicContact CE1-CG1 3.62Å; F1619-V1713 HydrophobicContact CE2-CG1 4.29Å; F1619-V1713 HydrophobicContact CG-CG1 4.08Å; F1619-V1713 HydrophobicContact CZ-CG1 3.94Å; F1619-L1714 HydrophobicContact CB-CB 4.18Å; F1619-L1714 HydrophobicContact CB-CD1 3.91Å; F1619-S1717 WeakPolarHBondContact CD2-OG 3.39Å
1620A90.8Very high86.2Confident0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-63.4-43.3170.900000112C1616 Y1617 F1618 T1623 Q1624 L1635 L1714C1616-A1620 WeakPolarHBondContact O-CB 3.28Å; C1616-A1620 PolarHBondContact O-N 2.83Å; Y1617-A1620 PolarHBondContact O-N 3.31Å; F1618-A1620 VanDerWaalsContact C-N 3.34Å; F1618-A1620 PolarHBondContact O-N 2.73Å; A1620-T1623 PolarHBondContact O-N 3.22Å; A1620-Q1624 PolarHBondContact O-N 3.1Å; A1620-L1635 HydrophobicContact CB-CB 4.22Å; A1620-L1714 HydrophobicContact CB-CD1 4.37Å; A1620-L1714 HydrophobicContact CB-CD2 4.34Å
1621I90Very high86.4Confident4 Ų431.7 Ų31.72%0.02116%0.162CC..Hα-helixtrans-66.1-45.4175.1-66.5161.5000110.7Y1617 F1618 T1623 Q1624 V1625 P1636 Y1935 L1943Y1617-I1621 WeakPolarHBondContact O-CD1 3.11Å; Y1617-I1621 WeakPolarHBondContact O-CG1 3.4Å; Y1617-I1621 PolarHBondContact O-N 2.88Å; F1618-I1621 PolarHBondContact O-N 3.02Å; I1621-T1623 VanDerWaalsContact C-N 3.31Å; I1621-T1623 PolarHBondContact O-N 2.72Å; I1621-Q1624 PolarHBondContact O-N 3.37Å; I1621-V1625 VanDerWaalsContact O-CG2 3.31Å; I1621-V1625 WeakPolarHBondContact O-CG2 3.36Å; I1621-V1625 PolarHBondContact O-N 2.71Å; I1621-P1636 HydrophobicContact CG1-CB 4.21Å; I1621-Y1935 HydrophobicContact CG2-CD1 4.45Å; I1621-Y1935 HydrophobicContact CG2-CE1 4.01Å; I1621-L1943 HydrophobicContact CD1-CD1 3.86Å
1622M87.9Confident86.5Confident17 Ų1728.3 Ų28.38%0.08415%0.147CC..Hα-helixtrans-58.8-41.5174.9-68.6-56.798.600112.2F1618 F1619 Q1624 V1625 M1626 W1710 V1936F1618-M1622 HydrophobicContact CD1-CG 3.97Å; F1618-M1622 HydrophobicContact CD2-CE 4.17Å; F1618-M1622 HydrophobicContact CE1-CG 3.54Å; F1618-M1622 HydrophobicContact CE1-SD 4.07Å; F1618-M1622 HydrophobicContact CE2-CE 3.59Å; F1618-M1622 HydrophobicContact CE2-CG 4.27Å; F1618-M1622 HydrophobicContact CE2-SD 4.08Å; F1618-M1622 HydrophobicContact CG-CG 4.5Å; F1618-M1622 HydrophobicContact CZ-CE 3.79Å; F1618-M1622 HydrophobicContact CZ-CG 3.71Å; F1618-M1622 HydrophobicContact CZ-SD 3.61Å; F1618-M1622 WeakPolarHBondContact O-CG 3.2Å; F1618-M1622 PolarHBondContact O-N 3.09Å; F1619-M1622 PolarHBondContact O-N 3.24Å; M1622-Q1624 VanDerWaalsContact C-N 3.32Å; M1622-Q1624 PolarHBondContact O-N 2.88Å; M1622-V1625 PolarHBondContact O-N 3.34Å; M1622-M1626 VanDerWaalsContact O-CG 3.29Å; M1622-M1626 WeakPolarHBondContact O-CG 3.38Å; M1622-M1626 PolarHBondContact O-N 3.29Å; M1622-W1710 HydrophobicContact CB-CE3 4.17Å; M1622-W1710 HydrophobicContact CB-CZ3 4.33Å; M1622-V1936 HydrophobicContact CE-CB 4.29Å; M1622-V1936 HydrophobicContact CE-CG1 3.76Å; M1622-V1936 HydrophobicContact CE-CG2 3.48Å; M1622-V1936 VanDerWaalsContact CE-CG2 3.48Å
1623T88.8Confident86.4Confident0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-59.7-43.9179.3-59.30000110.6F1619 A1620 I1621 T1627 T1632 L1635F1619-T1623 WeakPolarHBondContact O-CB 3.46Å; F1619-T1623 PolarHBondContact O-N 3.24Å; F1619-T1623 PolarHBondContact O-OG1 3.15Å; A1620-T1623 PolarHBondContact O-N 3.22Å; I1621-T1623 VanDerWaalsContact C-N 3.31Å; I1621-T1623 PolarHBondContact O-N 2.72Å; T1623-T1627 WeakPolarHBondContact O-CB 3.29Å; T1623-T1627 WeakPolarHBondContact O-CG2 3.43Å; T1623-T1627 PolarHBondContact O-N 2.88Å; T1623-T1627 PolarHBondContact O-OG1 3.08Å; T1623-T1632 HydrophobicContact CG2-CG2 3.95Å; T1623-L1635 HydrophobicContact CG2-CD1 4.25Å
1624Q89.1Confident86.6Confident1 Ų129.3 Ų29.31%0.00515%0.154CC..Hα-helixtrans-64.6-43.1174.4-177.560.316.200112.8A1620 I1621 M1622 M1626 G1628 G1629 T1632 P1636 F1914A1620-Q1624 PolarHBondContact O-N 3.1Å; I1621-Q1624 PolarHBondContact O-N 3.37Å; M1622-Q1624 VanDerWaalsContact C-N 3.32Å; M1622-Q1624 PolarHBondContact O-N 2.88Å; Q1624-M1626 VanDerWaalsContact C-N 3.32Å; Q1624-M1626 PolarHBondContact O-N 3.34Å; Q1624-G1628 WeakPolarHBondContact O-CA 3.39Å; Q1624-G1628 PolarHBondContact O-N 3Å; Q1624-G1629 PolarHBondContact NE2-O 3.1Å; Q1624-G1629 PolarHBondContact OE1-O 2.84Å; Q1624-T1632 PolarHBondContact OE1-OG1 3.19Å; Q1624-P1636 HydrophobicContact CB-CG 3.85Å; Q1624-P1636 HydrophobicContact CG-CG 4.03Å; Q1624-F1914 HydrophobicContact CG-CE1 4.35Å; Q1624-F1914 HydrophobicContact CG-CE2 4.01Å; Q1624-F1914 HydrophobicContact CG-CZ 3.61Å
1625V86.3Confident86.8Confident7 Ų725 Ų254%0.04213%0.132CC..Hα-helixtrans-60.2-40.6-178.9168.30000112.4I1621 M1622 Q1932 Y1935 V1936I1621-V1625 VanDerWaalsContact O-CG2 3.31Å; I1621-V1625 WeakPolarHBondContact O-CG2 3.36Å; I1621-V1625 PolarHBondContact O-N 2.71Å; M1622-V1625 PolarHBondContact O-N 3.34Å; V1625-Q1932 HydrophobicContact CG1-CB 3.84Å; V1625-Q1932 HydrophobicContact CG1-CG 3.89Å; V1625-Y1935 HydrophobicContact CG2-CD1 3.37Å; V1625-Y1935 HydrophobicContact CG2-CE1 3.74Å; V1625-Y1935 HydrophobicContact CG2-CG 4.42Å; V1625-V1936 HydrophobicContact CG1-CG2 4.38Å; V1625-V1936 HydrophobicContact CG2-CG2 3.72Å
1626M83.3Confident86.9Confident68 Ų6822.3 Ų22.334%0.33512%0.118SC..Hα-helixtrans-85.7-25.4-174-62.2-68.8171.300113.4M1622 Q1624 W1710M1622-M1626 VanDerWaalsContact O-CG 3.29Å; M1622-M1626 WeakPolarHBondContact O-CG 3.38Å; M1622-M1626 PolarHBondContact O-N 3.29Å; Q1624-M1626 VanDerWaalsContact C-N 3.32Å; Q1624-M1626 PolarHBondContact O-N 3.34Å; M1626-W1710 HydrophobicContact CB-CG 4.23Å; M1626-W1710 HydrophobicContact CE-CZ2 4.3Å; M1626-W1710 HydrophobicContact CG-CD2 4.25Å; M1626-W1710 HydrophobicContact CG-CG 4.26Å; M1626-W1710 HydrophobicContact CG-CZ2 4.34Å
1627T79.5Confident86.7Confident14 Ų1424.3 Ų24.39%0.08613%0.128CC..Hα-helixtrans-100.4-27.9-178.460.40000113.2T1623 G1629 T1632 I1926T1623-T1627 WeakPolarHBondContact O-CB 3.29Å; T1623-T1627 WeakPolarHBondContact O-CG2 3.43Å; T1623-T1627 PolarHBondContact O-N 2.88Å; T1623-T1627 PolarHBondContact O-OG1 3.08Å; T1627-G1629 PolarHBondContact O-N 2.96Å; T1627-T1632 HydrophobicContact CG2-CG2 4.48Å; T1627-T1632 PolarHBondContact OG1-OG1 2.98Å; T1627-I1926 WeakPolarHBondContact O-CD1 3.18Å
1628G75.1Confident86.7Confident17 Ų1725.7 Ų25.718%0.17514%0.135CC..  trans65.60.3175.700000116.4Q1624Q1624-G1628 WeakPolarHBondContact O-CA 3.39Å; Q1624-G1628 PolarHBondContact O-N 3Å
1629G79.3Confident86.7Confident2 Ų221.6 Ų21.62%0.02112%0.117CC..  trans-89162.2-166.100000115.5Q1624 T1627 I1631 T1632 L1633 F1699Q1624-G1629 PolarHBondContact NE2-O 3.1Å; Q1624-G1629 PolarHBondContact OE1-O 2.84Å; T1627-G1629 PolarHBondContact O-N 2.96Å; G1629-I1631 VanDerWaalsContact C-N 3.35Å; G1629-T1632 PolarHBondContact O-OG1 3.38Å; G1629-T1632 VanDerWaalsContact O-OG1 3.13Å; G1629-L1633 PolarHBondContact O-N 3.46Å; G1629-F1699 WeakPolarHBondContact CA-O 3.38Å
1630L84.9Confident86.5Confident85 Ų8519.5 Ų19.545%0.44511%0.108SC..THydrogen-bonded Turntrans-70-29172.1-157.579.1000112.5T1632 L1633 P1634 L1698 F1699L1630-T1632 VanDerWaalsContact C-N 3.35Å; L1630-L1633 PolarHBondContact O-N 2.9Å; L1630-P1634 WeakPolarHBondContact O-CD 3.24Å; L1630-L1698 WeakPolarHBondContact CB-O 3.29Å; L1630-L1698 PolarHBondContact N-O 3.13Å; L1630-F1699 HydrophobicContact CB-CD1 4.16Å; L1630-F1699 HydrophobicContact CD2-CD1 4.34Å; L1630-F1699 HydrophobicContact CD2-CE1 3.99Å
1631I87.5Confident86.2Confident40 Ų4023 Ų2321%0.20512%0.124CC..THydrogen-bonded Turntrans-69.5-33.2-179.8-65.7-177.8000111.8G1629 P1634 Y1661 V1665 F1699 V1701G1629-I1631 VanDerWaalsContact C-N 3.35Å; I1631-P1634 WeakPolarHBondContact O-CD 3.46Å; I1631-Y1661 WeakPolarHBondContact O-CE1 3.47Å; I1631-Y1661 PolarHBondContact O-OH 3.43Å; I1631-V1665 HydrophobicContact CG2-CG1 4.39Å; I1631-V1665 HydrophobicContact CG2-CG2 3.82Å; I1631-F1699 HydrophobicContact CD1-CB 4.06Å; I1631-F1699 HydrophobicContact CD1-CD1 4.39Å; I1631-F1699 HydrophobicContact CG1-CB 4.16Å; I1631-F1699 HydrophobicContact CG1-CD1 3.99Å; I1631-F1699 WeakPolarHBondContact CG1-O 3.47Å; I1631-F1699 PolarHBondContact N-O 2.83Å; I1631-V1701 HydrophobicContact CD1-CG2 3.58Å
1632T88.1Confident86.1Confident1 Ų127 Ų271%0.00614%0.138CC..THydrogen-bonded Turntrans-85.4-19.9178.238.80000113.1T1623 Q1624 T1627 G1629 L1630 P1634 L1635 P1636 V1665T1623-T1632 HydrophobicContact CG2-CG2 3.95Å; Q1624-T1632 PolarHBondContact OE1-OG1 3.19Å; T1627-T1632 HydrophobicContact CG2-CG2 4.48Å; T1627-T1632 PolarHBondContact OG1-OG1 2.98Å; G1629-T1632 PolarHBondContact O-OG1 3.38Å; G1629-T1632 VanDerWaalsContact O-OG1 3.13Å; L1630-T1632 VanDerWaalsContact C-N 3.35Å; T1632-P1634 VanDerWaalsContact C-CD 3.46Å; T1632-L1635 VanDerWaalsContact O-CB 3.29Å; T1632-L1635 WeakPolarHBondContact O-CB 3.38Å; T1632-L1635 PolarHBondContact O-N 2.95Å; T1632-P1636 WeakPolarHBondContact O-CD 3.43Å; T1632-V1665 HydrophobicContact CG2-CG1 4.44Å
1633L87.2Confident85.9Confident34 Ų3426.2 Ų26.218%0.17814%0.135CC..THydrogen-bonded Turntrans-59.1-30.3-175.2-178.7141.1000115.3G1629 L1630 L1635 P1636 L1637 F1914G1629-L1633 PolarHBondContact O-N 3.46Å; L1630-L1633 PolarHBondContact O-N 2.9Å; L1633-L1635 VanDerWaalsContact C-N 3.25Å; L1633-L1635 PolarHBondContact O-N 3Å; L1633-P1636 VanDerWaalsContact O-CD 3.27Å; L1633-P1636 WeakPolarHBondContact O-CD 3.32Å; L1633-P1636 WeakPolarHBondContact O-CG 3.39Å; L1633-L1637 HydrophobicContact CD2-CD1 3.56Å; L1633-L1637 HydrophobicContact CD2-CG 4.22Å; L1633-L1637 HydrophobicContact CG-CD1 4.42Å; L1633-L1637 WeakPolarHBondContact O-CG 3.48Å; L1633-L1637 PolarHBondContact O-N 3.21Å; L1633-F1914 HydrophobicContact CD1-CD2 4.29Å
1634P89.9Confident85.6Confident43 Ų4327 Ų2728%0.27914%0.139SC..Hα-helixtrans-59.3-28.5169.8-30.138.9000114.9L1630 I1631 T1632 L1637 M1638 Y1661L1630-P1634 WeakPolarHBondContact O-CD 3.24Å; I1631-P1634 WeakPolarHBondContact O-CD 3.46Å; T1632-P1634 VanDerWaalsContact C-CD 3.46Å; P1634-L1637 PolarHBondContact O-N 3.4Å; P1634-M1638 WeakPolarHBondContact O-CB 3.38Å; P1634-M1638 VanDerWaalsContact O-CG 3.26Å; P1634-M1638 WeakPolarHBondContact O-CG 3.23Å; P1634-M1638 PolarHBondContact O-N 3.37Å; P1634-Y1661 HydrophobicContact CB-CE1 4.4Å
1635L89.7Confident85.3Confident0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-62.1-56.9-178.5-66.3168.7000113A1620 T1623 T1632 L1633 L1637 M1638 S1639 M1658 Y1661 T1662 L1714A1620-L1635 HydrophobicContact CB-CB 4.22Å; T1623-L1635 HydrophobicContact CG2-CD1 4.25Å; T1632-L1635 VanDerWaalsContact O-CB 3.29Å; T1632-L1635 WeakPolarHBondContact O-CB 3.38Å; T1632-L1635 PolarHBondContact O-N 2.95Å; L1633-L1635 VanDerWaalsContact C-N 3.25Å; L1633-L1635 PolarHBondContact O-N 3Å; L1635-L1637 PolarHBondContact O-N 3.46Å; L1635-M1638 PolarHBondContact O-N 2.87Å; L1635-S1639 PolarHBondContact O-N 2.92Å; L1635-M1658 HydrophobicContact CD2-CG 4.07Å; L1635-Y1661 HydrophobicContact CD2-CD1 3.82Å; L1635-Y1661 HydrophobicContact CD2-CE1 4.44Å; L1635-Y1661 HydrophobicContact CG-CD1 4.13Å; L1635-Y1661 HydrophobicContact CG-CE1 4.26Å; L1635-T1662 HydrophobicContact CD1-CG2 4.23Å; L1635-T1662 HydrophobicContact CD2-CG2 3.83Å; L1635-L1714 HydrophobicContact CD1-CD2 3.97Å; L1635-L1714 HydrophobicContact CD2-CD2 4.44Å
1636P87Confident85Confident0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-64.2-38.8175.125.6-35000112I1621 Q1624 T1632 L1633 M1638 S1639 L1640I1621-P1636 HydrophobicContact CG1-CB 4.21Å; Q1624-P1636 HydrophobicContact CB-CG 3.85Å; Q1624-P1636 HydrophobicContact CG-CG 4.03Å; T1632-P1636 WeakPolarHBondContact O-CD 3.43Å; L1633-P1636 VanDerWaalsContact O-CD 3.27Å; L1633-P1636 WeakPolarHBondContact O-CD 3.32Å; L1633-P1636 WeakPolarHBondContact O-CG 3.39Å; P1636-M1638 PolarHBondContact O-N 3.13Å; P1636-S1639 PolarHBondContact O-N 3.21Å; P1636-S1639 VanDerWaalsContact O-N 3.09Å; P1636-S1639 PolarHBondContact O-OG 3.02Å; P1636-L1640 WeakPolarHBondContact O-CG 3.29Å; P1636-L1640 PolarHBondContact O-N 3.18Å
1637L87.9Confident84.3Confident42 Ų4226.7 Ų26.722%0.2214%0.139CC..Hα-helixtrans-62-42.2179-67.7-170.7000112.6L1633 P1634 L1635 S1639 L1640 F1641 I1906L1633-L1637 HydrophobicContact CD2-CD1 3.56Å; L1633-L1637 HydrophobicContact CD2-CG 4.22Å; L1633-L1637 HydrophobicContact CG-CD1 4.42Å; L1633-L1637 WeakPolarHBondContact O-CG 3.48Å; L1633-L1637 PolarHBondContact O-N 3.21Å; P1634-L1637 PolarHBondContact O-N 3.4Å; L1635-L1637 PolarHBondContact O-N 3.46Å; L1637-S1639 VanDerWaalsContact C-N 3.33Å; L1637-S1639 PolarHBondContact O-N 3.1Å; L1637-L1640 PolarHBondContact O-N 3.03Å; L1637-F1641 HydrophobicContact CB-CD2 4.28Å; L1637-F1641 HydrophobicContact CD2-CD2 4.42Å; L1637-F1641 HydrophobicContact CD2-CE2 3.9Å; L1637-F1641 WeakPolarHBondContact O-CB 3.36Å; L1637-F1641 PolarHBondContact O-N 3.31Å; L1637-I1906 HydrophobicContact CD2-CG2 3.96Å
1638M88.9Confident83.7Confident34 Ų3429.5 Ų29.517%0.16716%0.158CC..Hα-helixtrans-60.6-41.3172.2-77.1178.363.700111.6P1634 L1635 P1636 W1642 G1643 F1654 T1657P1634-M1638 WeakPolarHBondContact O-CB 3.38Å; P1634-M1638 VanDerWaalsContact O-CG 3.26Å; P1634-M1638 WeakPolarHBondContact O-CG 3.23Å; P1634-M1638 PolarHBondContact O-N 3.37Å; L1635-M1638 PolarHBondContact O-N 2.87Å; P1636-M1638 PolarHBondContact O-N 3.13Å; M1638-W1642 HydrophobicContact CE-CE3 4.37Å; M1638-W1642 HydrophobicContact CE-CZ3 4.38Å; M1638-W1642 WeakPolarHBondContact O-CA 3.36Å; M1638-W1642 WeakPolarHBondContact O-CB 3.5Å; M1638-W1642 PolarHBondContact O-N 3.26Å; M1638-G1643 PolarHBondContact O-N 3.32Å; M1638-F1654 HydrophobicContact CB-CE2 4.16Å; M1638-F1654 HydrophobicContact CE-CD2 4.34Å; M1638-F1654 HydrophobicContact CE-CE2 4.39Å; M1638-T1657 HydrophobicContact CE-CG2 3.9Å
1639S88.5Confident83.5Confident0 Ų032.2 Ų32.20%016%0.163CC..Iπ-helixtrans-65.2-39.417878.60000113.3L1635 P1636 L1637 G1643 N1644L1635-S1639 PolarHBondContact O-N 2.92Å; P1636-S1639 PolarHBondContact O-N 3.21Å; P1636-S1639 VanDerWaalsContact O-N 3.09Å; P1636-S1639 PolarHBondContact O-OG 3.02Å; L1637-S1639 VanDerWaalsContact C-N 3.33Å; L1637-S1639 PolarHBondContact O-N 3.1Å; S1639-G1643 PolarHBondContact O-N 2.91Å; S1639-N1644 PolarHBondContact O-N 3.46Å
1640L87.5Confident83.5Confident0 Ų032.9 Ų32.90%017%0.167CC..Iπ-helixtrans-82.4-39.7-174.6-68175.3000113.1P1636 L1637 I1906 F1942 L1943P1636-L1640 WeakPolarHBondContact O-CG 3.29Å; P1636-L1640 PolarHBondContact O-N 3.18Å; L1637-L1640 PolarHBondContact O-N 3.03Å; L1640-I1906 HydrophobicContact CB-CD1 4.19Å; L1640-I1906 HydrophobicContact CD1-CD1 4.42Å; L1640-I1906 HydrophobicContact CD1-CG2 4.41Å; L1640-F1942 HydrophobicContact CD2-CB 3.91Å; L1640-L1943 HydrophobicContact CD2-CD2 3.87Å; L1640-L1943 HydrophobicContact CD2-CG 4.02Å
1641F84.9Confident83.2Confident74 Ų7430.9 Ų30.933%0.32516%0.16SC..Iπ-helixtrans-91.5-28.7-178.5-66.8-46.4000114.4L1637 V1903 I1906L1637-F1641 HydrophobicContact CB-CD2 4.28Å; L1637-F1641 HydrophobicContact CD2-CD2 4.42Å; L1637-F1641 HydrophobicContact CD2-CE2 3.9Å; L1637-F1641 WeakPolarHBondContact O-CB 3.36Å; L1637-F1641 PolarHBondContact O-N 3.31Å; F1641-V1903 HydrophobicContact CE1-CG2 4.16Å; F1641-I1906 HydrophobicContact CD1-CD1 4.31Å; F1641-I1906 HydrophobicContact CE1-CB 4.21Å; F1641-I1906 HydrophobicContact CE1-CD1 3.79Å; F1641-I1906 HydrophobicContact CE1-CG2 4.02Å; F1641-I1906 HydrophobicContact CE2-CG2 4.14Å; F1641-I1906 HydrophobicContact CZ-CB 4.06Å; F1641-I1906 HydrophobicContact CZ-CD1 4.41Å; F1641-I1906 HydrophobicContact CZ-CG2 3.53Å
1642W86.3Confident83Confident87 Ų8734 Ų3433%0.3317%0.172SC..Iπ-helixtrans-116.6-51.4-175.4-170.38.8000112.7M1638 S1646 F1653 F1654M1638-W1642 HydrophobicContact CE-CE3 4.37Å; M1638-W1642 HydrophobicContact CE-CZ3 4.38Å; M1638-W1642 WeakPolarHBondContact O-CA 3.36Å; M1638-W1642 WeakPolarHBondContact O-CB 3.5Å; M1638-W1642 PolarHBondContact O-N 3.26Å; W1642-S1646 WeakPolarHBondContact O-CB 3.47Å; W1642-S1646 PolarHBondContact O-N 3.16Å; W1642-F1653 AromaticContact CH2-CD1 3.62Å; W1642-F1653 HydrophobicContact CH2-CD1 3.62Å; W1642-F1653 AromaticContact CH2-CE1 3.82Å; W1642-F1653 HydrophobicContact CH2-CE1 3.82Å; W1642-F1653 HydrophobicContact CZ2-CD1 4.08Å; W1642-F1654 HydrophobicContact CB-CD2 4.35Å; W1642-F1654 HydrophobicContact CB-CE2 4.48Å; W1642-F1654 AromaticContact CD2-CD2 3.87Å; W1642-F1654 HydrophobicContact CD2-CD2 3.87Å; W1642-F1654 AromaticContact CE3-CD2 3.9Å; W1642-F1654 HydrophobicContact CE3-CD2 3.9Å; W1642-F1654 HydrophobicContact CG-CD2 4.07Å; W1642-F1654 HydrophobicContact CZ2-CB 4.48Å
1643G83.9Confident82.9Confident1 Ų140.5 Ų40.51%0.0120%0.201CC..Iπ-helixtrans-55.9-65.1-176.800000112.1Y1617 M1638 S1639 S1646Y1617-G1643 VanDerWaalsContact OH-C 3.24Å; Y1617-G1643 WeakPolarHBondContact OH-CA 3.49Å; Y1617-G1643 PolarHBondContact OH-O 3.12Å; M1638-G1643 PolarHBondContact O-N 3.32Å; S1639-G1643 PolarHBondContact O-N 2.91Å; G1643-S1646 PolarHBondContact O-N 3.32Å; G1643-S1646 PolarHBondContact O-OG 3.48Å
1644N83.3Confident83Confident18 Ų1838.9 Ų38.910%0.09619%0.192CC..THydrogen-bonded Turntrans-78.9-25-170.9-160.326.1000114.8Y1617 S1639 S1646 L1943 A1946 R1950Y1617-N1644 HydrophobicContact CE2-CB 4.34Å; S1639-N1644 PolarHBondContact O-N 3.46Å; N1644-S1646 VanDerWaalsContact C-N 3.3Å; N1644-L1943 HydrophobicContact CB-CD2 4.15Å; N1644-L1943 PolarHBondContact ND2-O 3.19Å; N1644-A1946 HydrophobicContact CB-CB 4.16Å; N1644-A1946 WeakPolarHBondContact ND2-CB 3.2Å; N1644-R1950 PolarHBondContact O-NH1 3.35Å; N1644-R1950 PolarHBondContact OD1-NH1 2.9Å
1645L82.8Confident83.1Confident10 Ų1037.1 Ų37.15%0.05218%0.18CC..THydrogen-bonded Turntrans-76.4-13.5174.6-72.3177.4000113.3F1814 L1818 L1899 A1946 I1949L1645-F1814 HydrophobicContact CB-CE1 4.42Å; L1645-F1814 HydrophobicContact CB-CZ 3.93Å; L1645-L1818 HydrophobicContact CD2-CD1 4.38Å; L1645-L1818 HydrophobicContact CD2-CD2 4.49Å; L1645-L1818 WeakPolarHBondContact O-CD1 3.38Å; L1645-L1899 HydrophobicContact CD1-CD1 4.23Å; L1645-A1946 HydrophobicContact CD2-CB 3.78Å; L1645-A1946 HydrophobicContact CG-CB 4.16Å; L1645-I1949 HydrophobicContact CD2-CB 4.22Å; L1645-I1949 HydrophobicContact CD2-CG2 4.09Å
1646S79.3Confident83.1Confident11 Ų1138.9 Ų38.98%0.07719%0.191CC..SBendtrans-70.4137.4175.367.80000112.9W1642 G1643 N1644 R1649 P1650 R1950W1642-S1646 WeakPolarHBondContact O-CB 3.47Å; W1642-S1646 PolarHBondContact O-N 3.16Å; G1643-S1646 PolarHBondContact O-N 3.32Å; G1643-S1646 PolarHBondContact O-OG 3.48Å; N1644-S1646 VanDerWaalsContact C-N 3.3Å; S1646-R1649 VanDerWaalsContact OG-C 3.29Å; S1646-R1649 PolarHBondContact OG-O 3.05Å; S1646-P1650 WeakPolarHBondContact OG-CA 3.46Å; S1646-P1650 VanDerWaalsContact OG-N 3.11Å; S1646-R1950 WeakPolarHBondContact O-CD 3.2Å
1647N69.4Low83.3Confident48 Ų4840.7 Ų40.726%0.25720%0.201SC..SBendtrans-123.5131.8177.6-172.8-24.4000109.3P1821 F1823 R1950N1647-P1821 HydrophobicContact CB-CB 4.41Å; N1647-P1821 WeakPolarHBondContact ND2-CB 3.39Å; N1647-F1823 PolarHBondContact ND2-O 2.99Å; N1647-R1950 HydrophobicContact CB-CG 3.95Å
1648P66.7Low83.4Confident73 Ų7338.7 Ų38.747%0.47419%0.191SC..SBendcis-86.1-9-3.234.7-36.1000113.9
1649R71.3Confident83.5Confident73 Ų7337.1 Ų37.128%0.27518%0.183SC..SBendtrans-155.2157.6-177.869.9-172.4-169.4179.412111.5S1646 L1730 K1732 D1733S1646-R1649 VanDerWaalsContact OG-C 3.29Å; S1646-R1649 PolarHBondContact OG-O 3.05Å; R1649-L1730 VanDerWaalsContact CZ-O 3.25Å; R1649-L1730 PolarHBondContact NH1-O 3.48Å; R1649-L1730 PolarHBondContact NH2-O 3.12Å; R1649-K1732 PolarHBondContact NH2-O 3.15Å; R1649-D1733 IonicContact CZ-OD1 3.42Å; R1649-D1733 IonicContact NE-OD1 2.77Å; R1649-D1733 IonicContact NH2-OD1 3.34Å; R1649-D1733 PolarHBondContact NH2-OD1 3.38Å
1650P78.2Confident83.6Confident16 Ų1639.7 Ų39.710%0.10420%0.199CC..  trans-66.9144.4172.6-12.826.1000111.3Y1617 S1646 F1654 W1655Y1617-P1650 WeakPolarHBondContact OH-CG 3.12Å; S1646-P1650 WeakPolarHBondContact OG-CA 3.46Å; S1646-P1650 VanDerWaalsContact OG-N 3.11Å; P1650-F1654 HydrophobicContact CB-CB 4.29Å; P1650-F1654 HydrophobicContact CB-CD1 3.56Å; P1650-F1654 HydrophobicContact CB-CE1 4.16Å; P1650-F1654 HydrophobicContact CB-CG 4.04Å; P1650-F1654 HydrophobicContact CG-CD1 4.4Å; P1650-W1655 HydrophobicContact CB-CZ2 4.38Å; P1650-W1655 HydrophobicContact CG-CZ2 3.92Å
1651S78.3Confident83.8Confident43 Ų4343.1 Ų43.130%0.30121%0.213SC..  trans-64.7157.2-179.771.80000112.3F1653 F1654 W1655S1651-F1653 PolarHBondContact O-N 3.45Å; S1651-F1653 PolarHBondContact OG-N 3.32Å; S1651-F1654 WeakPolarHBondContact O-CB 3.44Å; S1651-F1654 PolarHBondContact O-N 3.11Å; S1651-F1654 PolarHBondContact OG-N 2.92Å; S1651-F1654 VanDerWaalsContact OG-N 3.13Å; S1651-W1655 PolarHBondContact O-N 2.86Å
1652K83.9Confident84.1Confident106 Ų10639.6 Ų39.646%0.46120%0.197SC..Hα-helixtrans-51.7-36.1166.9176-165.2159.8-139.30111.8W1655 V1656 W1731K1652-W1655 PolarHBondContact O-N 2.78Å; K1652-V1656 HydrophobicContact CG-CG2 4.29Å; K1652-V1656 WeakPolarHBondContact O-CG2 3.27Å; K1652-V1656 PolarHBondContact O-N 3.28Å; K1652-W1731 HydrophobicContact CG-CZ2 4.28Å
1653F86.7Confident84.3Confident138 Ų13836.9 Ų36.961%0.60519%0.188SC*.Hα-helixtrans-67.1-39.7-178.2-177.1-118.1000112.3W1642 S1651 V1656 T1657W1642-F1653 AromaticContact CH2-CD1 3.62Å; W1642-F1653 HydrophobicContact CH2-CD1 3.62Å; W1642-F1653 AromaticContact CH2-CE1 3.82Å; W1642-F1653 HydrophobicContact CH2-CE1 3.82Å; W1642-F1653 HydrophobicContact CZ2-CD1 4.08Å; S1651-F1653 PolarHBondContact O-N 3.45Å; S1651-F1653 PolarHBondContact OG-N 3.32Å; F1653-V1656 PolarHBondContact O-N 3.33Å; F1653-T1657 WeakPolarHBondContact O-CB 3.44Å; F1653-T1657 PolarHBondContact O-N 3.03Å; F1653-T1657 PolarHBondContact O-OG1 3.15Å
1654F88.6Confident84.5Confident0 Ų040.1 Ų40.10%021%0.21CC..Hα-helixtrans-55.9-52.5172.2169.3-93.2000111.4Y1617 M1638 W1642 P1650 S1651 V1656 T1657 M1658Y1617-F1654 AromaticContact CE1-CE1 3.92Å; Y1617-F1654 HydrophobicContact CE1-CE1 3.92Å; Y1617-F1654 AromaticContact CE1-CZ 3.82Å; Y1617-F1654 HydrophobicContact CE1-CZ 3.82Å; M1638-F1654 HydrophobicContact CB-CE2 4.16Å; M1638-F1654 HydrophobicContact CE-CD2 4.34Å; M1638-F1654 HydrophobicContact CE-CE2 4.39Å; W1642-F1654 HydrophobicContact CB-CD2 4.35Å; W1642-F1654 HydrophobicContact CB-CE2 4.48Å; W1642-F1654 AromaticContact CD2-CD2 3.87Å; W1642-F1654 HydrophobicContact CD2-CD2 3.87Å; W1642-F1654 AromaticContact CE3-CD2 3.9Å; W1642-F1654 HydrophobicContact CE3-CD2 3.9Å; W1642-F1654 HydrophobicContact CG-CD2 4.07Å; W1642-F1654 HydrophobicContact CZ2-CB 4.48Å; P1650-F1654 HydrophobicContact CB-CB 4.29Å; P1650-F1654 HydrophobicContact CB-CD1 3.56Å; P1650-F1654 HydrophobicContact CB-CE1 4.16Å; P1650-F1654 HydrophobicContact CB-CG 4.04Å; P1650-F1654 HydrophobicContact CG-CD1 4.4Å; S1651-F1654 WeakPolarHBondContact O-CB 3.44Å; S1651-F1654 PolarHBondContact O-N 3.11Å; S1651-F1654 PolarHBondContact OG-N 2.92Å; S1651-F1654 VanDerWaalsContact OG-N 3.13Å; F1654-V1656 PolarHBondContact O-N 2.92Å; F1654-T1657 PolarHBondContact O-N 3.28Å; F1654-M1658 HydrophobicContact CE1-CE 3.97Å; F1654-M1658 HydrophobicContact CE1-SD 4.36Å; F1654-M1658 HydrophobicContact CZ-CE 3.94Å; F1654-M1658 HydrophobicContact CZ-SD 3.86Å; F1654-M1658 PolarHBondContact O-N 2.95Å
1655W91.4Very high84.8Confident6 Ų639.3 Ų39.32%0.02321%0.206CC..Hα-helixtrans-67.1-36.3-178.4-66.8112.5000113.8D1613 C1616 Y1617 P1650 S1651 K1652 M1658 I1659 L1718 H1721 W1731D1613-W1655 HydrophobicContact CB-CH2 4.12Å; D1613-W1655 HydrophobicContact CB-CZ2 4.05Å; C1616-W1655 HydrophobicContact CB-CH2 3.99Å; C1616-W1655 HydrophobicContact CB-CZ3 3.69Å; Y1617-W1655 AromaticContact CE1-CH2 3.83Å; Y1617-W1655 HydrophobicContact CE1-CH2 3.83Å; Y1617-W1655 HydrophobicContact CE1-CZ2 4.37Å; P1650-W1655 HydrophobicContact CB-CZ2 4.38Å; P1650-W1655 HydrophobicContact CG-CZ2 3.92Å; S1651-W1655 PolarHBondContact O-N 2.86Å; K1652-W1655 PolarHBondContact O-N 2.78Å; W1655-M1658 HydrophobicContact CE3-CE 4.02Å; W1655-M1658 HydrophobicContact CH2-CE 4.37Å; W1655-M1658 HydrophobicContact CZ3-CE 3.53Å; W1655-I1659 WeakPolarHBondContact O-CG1 3.44Å; W1655-I1659 PolarHBondContact O-N 3.46Å; W1655-I1659 VanDerWaalsContact O-N 3.1Å; W1655-L1718 HydrophobicContact CE3-CD2 3.75Å; W1655-L1718 HydrophobicContact CZ3-CD2 3.86Å; W1655-H1721 AromaticContact CD2-CD2 3.6Å; W1655-H1721 AromaticContact CD2-NE2 3.72Å; W1655-H1721 AromaticContact CE2-CD2 3.59Å; W1655-H1721 AromaticContact CE2-NE2 3.19Å; W1655-H1721 AromaticContact CE3-CD2 3.63Å; W1655-H1721 AromaticContact CH2-CD2 3.73Å; W1655-H1721 AromaticContact CH2-NE2 3.67Å; W1655-H1721 AromaticContact CZ2-CD2 3.68Å; W1655-H1721 AromaticContact CZ2-NE2 3.18Å; W1655-H1721 WeakPolarHBondContact CZ2-NE2 3.47Å; W1655-H1721 AromaticContact CZ3-CD2 3.69Å; W1655-H1721 AromaticContact NE1-NE2 3.6Å; W1655-W1731 HydrophobicContact CB-CH2 4.19Å; W1655-W1731 HydrophobicContact CB-CZ3 3.99Å
1656V89.9Confident85Confident37 Ų3739.4 Ų39.422%0.22421%0.206CC..Hα-helixtrans-65.3-44.8173.5170.60000110.5K1652 F1653 F1654 M1658 I1659 T1660 W1731K1652-V1656 HydrophobicContact CG-CG2 4.29Å; K1652-V1656 WeakPolarHBondContact O-CG2 3.27Å; K1652-V1656 PolarHBondContact O-N 3.28Å; F1653-V1656 PolarHBondContact O-N 3.33Å; F1654-V1656 PolarHBondContact O-N 2.92Å; V1656-M1658 VanDerWaalsContact C-N 3.35Å; V1656-M1658 PolarHBondContact O-N 3.2Å; V1656-I1659 PolarHBondContact O-N 3.03Å; V1656-T1660 HydrophobicContact CG1-CG2 4.44Å; V1656-T1660 PolarHBondContact O-N 2.88Å; V1656-T1660 PolarHBondContact O-OG1 3.15Å; V1656-T1660 VanDerWaalsContact O-OG1 3.05Å; V1656-W1731 HydrophobicContact CG2-CH2 3.93Å; V1656-W1731 HydrophobicContact CG2-CZ2 3.75Å
1657T90.9Very high85.4Confident37 Ų3741.8 Ų41.823%0.22722%0.22CC..Hα-helixtrans-61.9-41.8178.4-52.60000111.4M1638 F1653 F1654 T1660 Y1661M1638-T1657 HydrophobicContact CE-CG2 3.9Å; F1653-T1657 WeakPolarHBondContact O-CB 3.44Å; F1653-T1657 PolarHBondContact O-N 3.03Å; F1653-T1657 PolarHBondContact O-OG1 3.15Å; F1654-T1657 PolarHBondContact O-N 3.28Å; T1657-T1660 WeakPolarHBondContact CA-OG1 3.48Å; T1657-T1660 PolarHBondContact O-N 3.13Å; T1657-T1660 PolarHBondContact O-OG1 3.22Å; T1657-T1660 VanDerWaalsContact O-OG1 3.14Å; T1657-Y1661 VanDerWaalsContact O-CB 3.24Å; T1657-Y1661 WeakPolarHBondContact O-CB 3.43Å; T1657-Y1661 PolarHBondContact O-N 3.2Å
1658M90.9Very high86.2Confident0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-69.1-32.8178.9-160.4151.983.300112.6C1616 Y1617 L1635 F1654 W1655 V1656 T1662 L1718C1616-M1658 HydrophobicContact CB-CE 4.31Å; Y1617-M1658 HydrophobicContact CD1-CE 4.45Å; L1635-M1658 HydrophobicContact CD2-CG 4.07Å; F1654-M1658 HydrophobicContact CE1-CE 3.97Å; F1654-M1658 HydrophobicContact CE1-SD 4.36Å; F1654-M1658 HydrophobicContact CZ-CE 3.94Å; F1654-M1658 HydrophobicContact CZ-SD 3.86Å; F1654-M1658 PolarHBondContact O-N 2.95Å; W1655-M1658 HydrophobicContact CE3-CE 4.02Å; W1655-M1658 HydrophobicContact CH2-CE 4.37Å; W1655-M1658 HydrophobicContact CZ3-CE 3.53Å; V1656-M1658 VanDerWaalsContact C-N 3.35Å; V1656-M1658 PolarHBondContact O-N 3.2Å; M1658-T1662 WeakPolarHBondContact O-CG2 3.13Å; M1658-T1662 PolarHBondContact O-N 2.93Å; M1658-T1662 PolarHBondContact O-OG1 2.73Å; M1658-L1718 HydrophobicContact CB-CD2 4.33Å; M1658-L1718 HydrophobicContact CE-CD2 3.69Å; M1658-L1718 HydrophobicContact CG-CD1 4.25Å; M1658-L1718 HydrophobicContact CG-CD2 4.2Å
1659I90.9Very high87.1Confident2 Ų240.3 Ų40.31%0.0121%0.206CC..Hα-helixtrans-67.2-54.3170.1-70.9163.2000110.5W1200 W1655 V1656 Y1661 T1662 E1663 L1718 F1719 R1722W1200-I1659 HydrophobicContact CZ3-CG2 4.01Å; W1655-I1659 WeakPolarHBondContact O-CG1 3.44Å; W1655-I1659 PolarHBondContact O-N 3.46Å; W1655-I1659 VanDerWaalsContact O-N 3.1Å; V1656-I1659 PolarHBondContact O-N 3.03Å; I1659-Y1661 VanDerWaalsContact C-N 3.26Å; I1659-Y1661 PolarHBondContact O-N 3.23Å; I1659-T1662 PolarHBondContact O-N 3.41Å; I1659-T1662 VanDerWaalsContact O-N 3.14Å; I1659-T1662 PolarHBondContact O-OG1 3.45Å; I1659-E1663 HydrophobicContact CG2-CG 4.26Å; I1659-E1663 WeakPolarHBondContact CG2-OE1 3.46Å; I1659-E1663 WeakPolarHBondContact O-CG 3.34Å; I1659-E1663 PolarHBondContact O-N 2.86Å; I1659-L1718 HydrophobicContact CD1-CB 4.41Å; I1659-L1718 HydrophobicContact CG1-CB 3.76Å; I1659-L1718 HydrophobicContact CG1-CD1 4.18Å; I1659-L1718 HydrophobicContact CG1-CD2 4.35Å; I1659-L1718 HydrophobicContact CG1-CG 4.34Å; I1659-F1719 HydrophobicContact CG2-CE2 3.92Å; I1659-F1719 HydrophobicContact CG2-CZ 4.18Å; I1659-R1722 HydrophobicContact CD1-CB 4.34Å
1660T90.8Very high87.8Confident54 Ų5436.9 Ų36.933%0.33119%0.194SC..Hα-helixtrans-63.7-32.7-176.850.70000112.4W1200 V1656 T1657 C1664W1200-T1660 HydrophobicContact CH2-CG2 4.49Å; W1200-T1660 HydrophobicContact CZ3-CG2 4.49Å; V1656-T1660 HydrophobicContact CG1-CG2 4.44Å; V1656-T1660 PolarHBondContact O-N 2.88Å; V1656-T1660 PolarHBondContact O-OG1 3.15Å; V1656-T1660 VanDerWaalsContact O-OG1 3.05Å; T1657-T1660 WeakPolarHBondContact CA-OG1 3.48Å; T1657-T1660 PolarHBondContact O-N 3.13Å; T1657-T1660 PolarHBondContact O-OG1 3.22Å; T1657-T1660 VanDerWaalsContact O-OG1 3.14Å; T1660-C1664 WeakPolarHBondContact O-CB 3.36Å; T1660-C1664 PolarHBondContact O-N 3.48Å; T1660-C1664 PolarHBondContact O-SG 2.93Å
1661Y92.3Very high88.2Confident72 Ų7239 Ų3928%0.28221%0.206SC..Hα-helixtrans-68.7-42.3174.7-166.2-92.7000111.9I1631 P1634 L1635 T1657 I1659 C1664 V1665I1631-Y1661 WeakPolarHBondContact O-CE1 3.47Å; I1631-Y1661 PolarHBondContact O-OH 3.43Å; P1634-Y1661 HydrophobicContact CB-CE1 4.4Å; L1635-Y1661 HydrophobicContact CD2-CD1 3.82Å; L1635-Y1661 HydrophobicContact CD2-CE1 4.44Å; L1635-Y1661 HydrophobicContact CG-CD1 4.13Å; L1635-Y1661 HydrophobicContact CG-CE1 4.26Å; T1657-Y1661 VanDerWaalsContact O-CB 3.24Å; T1657-Y1661 WeakPolarHBondContact O-CB 3.43Å; T1657-Y1661 PolarHBondContact O-N 3.2Å; I1659-Y1661 VanDerWaalsContact C-N 3.26Å; I1659-Y1661 PolarHBondContact O-N 3.23Å; Y1661-C1664 PolarHBondContact O-N 3.32Å; Y1661-V1665 HydrophobicContact CD1-CG2 3.78Å; Y1661-V1665 HydrophobicContact CE1-CG2 3.48Å; Y1661-V1665 VanDerWaalsContact CE1-CG2 3.48Å; Y1661-V1665 WeakPolarHBondContact O-CB 3.44Å; Y1661-V1665 VanDerWaalsContact O-CG2 3.28Å; Y1661-V1665 WeakPolarHBondContact O-CG2 3.29Å; Y1661-V1665 PolarHBondContact O-N 3.44Å
1662T91.3Very high88.5Confident0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-68.5-38.5176.347.60000112.5L1635 M1658 I1659 V1665 I1666 L1714 L1718L1635-T1662 HydrophobicContact CD1-CG2 4.23Å; L1635-T1662 HydrophobicContact CD2-CG2 3.83Å; M1658-T1662 WeakPolarHBondContact O-CG2 3.13Å; M1658-T1662 PolarHBondContact O-N 2.93Å; M1658-T1662 PolarHBondContact O-OG1 2.73Å; I1659-T1662 PolarHBondContact O-N 3.41Å; I1659-T1662 VanDerWaalsContact O-N 3.14Å; I1659-T1662 PolarHBondContact O-OG1 3.45Å; T1662-V1665 PolarHBondContact O-N 2.87Å; T1662-I1666 VanDerWaalsContact O-CG1 3.29Å; T1662-I1666 WeakPolarHBondContact O-CG1 3.36Å; T1662-I1666 PolarHBondContact O-N 2.9Å; T1662-L1714 HydrophobicContact CG2-CD2 3.59Å; T1662-L1714 HydrophobicContact CG2-CG 4.02Å; T1662-L1718 HydrophobicContact CG2-CD1 4.11Å; T1662-L1718 WeakPolarHBondContact OG1-CD1 3.32Å
1663E89.8Confident88.5Confident30 Ų3033.3 Ų33.314%0.1418%0.179CC..Hα-helixtrans-58.8-45.9169.9-70.3172.2164.700111.3L1196 I1659 I1666 V1667 L1715 F1719L1196-E1663 HydrophobicContact CD2-CG 4.41Å; I1659-E1663 HydrophobicContact CG2-CG 4.26Å; I1659-E1663 WeakPolarHBondContact CG2-OE1 3.46Å; I1659-E1663 WeakPolarHBondContact O-CG 3.34Å; I1659-E1663 PolarHBondContact O-N 2.86Å; E1663-I1666 PolarHBondContact O-N 2.86Å; E1663-V1667 WeakPolarHBondContact O-CG2 3.24Å; E1663-V1667 PolarHBondContact O-N 2.89Å; E1663-V1667 VanDerWaalsContact O-N 3.14Å; E1663-L1715 HydrophobicContact CG-CD1 3.67Å; E1663-F1719 WeakPolarHBondContact OE1-CE2 3.4Å; E1663-F1719 WeakPolarHBondContact OE1-CZ 3.41Å
1664C88.7Confident88.3Confident68 Ų6827.5 Ų27.546%0.45915%0.153SC..Hα-helixtrans-64.1-43.1175.5-69.10000112.8T1660 Y1661 I1666 V1667 I1668T1660-C1664 WeakPolarHBondContact O-CB 3.36Å; T1660-C1664 PolarHBondContact O-N 3.48Å; T1660-C1664 PolarHBondContact O-SG 2.93Å; Y1661-C1664 PolarHBondContact O-N 3.32Å; C1664-I1666 VanDerWaalsContact C-N 3.34Å; C1664-I1666 PolarHBondContact O-N 3.43Å; C1664-V1667 PolarHBondContact O-N 2.81Å; C1664-I1668 WeakPolarHBondContact O-CB 3.48Å; C1664-I1668 VanDerWaalsContact O-CG1 3.25Å; C1664-I1668 WeakPolarHBondContact O-CG1 3.47Å; C1664-I1668 PolarHBondContact O-N 3.47Å
1665V88.6Confident87.6Confident2 Ų229.4 Ų29.41%0.01217%0.169CC..Hα-helixtrans-63.6-38.8178.5168.10000111.4I1631 T1632 Y1661 T1662 K1669 D1711I1631-V1665 HydrophobicContact CG2-CG1 4.39Å; I1631-V1665 HydrophobicContact CG2-CG2 3.82Å; T1632-V1665 HydrophobicContact CG2-CG1 4.44Å; Y1661-V1665 HydrophobicContact CD1-CG2 3.78Å; Y1661-V1665 HydrophobicContact CE1-CG2 3.48Å; Y1661-V1665 VanDerWaalsContact CE1-CG2 3.48Å; Y1661-V1665 WeakPolarHBondContact O-CB 3.44Å; Y1661-V1665 VanDerWaalsContact O-CG2 3.28Å; Y1661-V1665 WeakPolarHBondContact O-CG2 3.29Å; Y1661-V1665 PolarHBondContact O-N 3.44Å; T1662-V1665 PolarHBondContact O-N 2.87Å; V1665-K1669 HydrophobicContact CG1-CD 3.83Å; V1665-K1669 HydrophobicContact CG1-CG 4.28Å; V1665-K1669 VanDerWaalsContact O-CB 3.27Å; V1665-K1669 WeakPolarHBondContact O-CB 3.44Å; V1665-K1669 VanDerWaalsContact O-CG 3.25Å; V1665-K1669 WeakPolarHBondContact O-CG 3.48Å; V1665-K1669 PolarHBondContact O-N 3.05Å; V1665-D1711 WeakPolarHBondContact CG1-OD1 3.4Å
1666I87.8Confident87Confident11 Ų1133.1 Ų33.16%0.05619%0.186CC..Hα-helixtrans-63.7-46.7175.2-70.2165.3000110.8T1662 E1663 C1664 K1669 F1670 D1711 I1712 L1715T1662-I1666 VanDerWaalsContact O-CG1 3.29Å; T1662-I1666 WeakPolarHBondContact O-CG1 3.36Å; T1662-I1666 PolarHBondContact O-N 2.9Å; E1663-I1666 PolarHBondContact O-N 2.86Å; C1664-I1666 VanDerWaalsContact C-N 3.34Å; C1664-I1666 PolarHBondContact O-N 3.43Å; I1666-K1669 PolarHBondContact O-N 3.17Å; I1666-F1670 WeakPolarHBondContact O-CB 3.44Å; I1666-F1670 PolarHBondContact O-N 3.44Å; I1666-D1711 HydrophobicContact CD1-CB 4.06Å; I1666-D1711 HydrophobicContact CG1-CB 3.67Å; I1666-I1712 HydrophobicContact CD1-CG1 4.18Å; I1666-L1715 HydrophobicContact CD1-CB 4.23Å; I1666-L1715 HydrophobicContact CD1-CD2 3.91Å
1667V86.2Confident86.6Confident61 Ų6133.3 Ų33.337%0.3719%0.185SC..Hα-helixtrans-66-43.4178.8175.70000111.7E1663 C1664 F1670 V1671E1663-V1667 WeakPolarHBondContact O-CG2 3.24Å; E1663-V1667 PolarHBondContact O-N 2.89Å; E1663-V1667 VanDerWaalsContact O-N 3.14Å; C1664-V1667 PolarHBondContact O-N 2.81Å; V1667-F1670 PolarHBondContact O-N 3.31Å; V1667-V1671 HydrophobicContact CG1-CG2 4.44Å; V1667-V1671 WeakPolarHBondContact O-CG2 3.45Å; V1667-V1671 PolarHBondContact O-N 3.32Å
1668I86.6Confident86Confident81 Ų8136.3 Ų36.342%0.41520%0.204SC..Hα-helixtrans-61.8-48.8176.8-70.2165.4000110.3C1664 F1670 V1671 C1672C1664-I1668 WeakPolarHBondContact O-CB 3.48Å; C1664-I1668 VanDerWaalsContact O-CG1 3.25Å; C1664-I1668 WeakPolarHBondContact O-CG1 3.47Å; C1664-I1668 PolarHBondContact O-N 3.47Å; I1668-F1670 VanDerWaalsContact C-N 3.34Å; I1668-F1670 PolarHBondContact O-N 2.89Å; I1668-V1671 PolarHBondContact O-N 3.06Å; I1668-C1672 WeakPolarHBondContact O-CB 3.38Å; I1668-C1672 PolarHBondContact O-N 3.4Å; I1668-C1672 PolarHBondContact O-SG 2.9Å; I1668-C1672 VanDerWaalsContact O-SG 3.36Å
1669K86.5Confident85.6Confident9 Ų938.9 Ų38.94%0.03921%0.214CC..Hα-helixtrans-59.2-43.6177.6-76.6174.5171.3173.70111.9V1665 I1666 C1672 Q1673 F1707 D1711V1665-K1669 HydrophobicContact CG1-CD 3.83Å; V1665-K1669 HydrophobicContact CG1-CG 4.28Å; V1665-K1669 VanDerWaalsContact O-CB 3.27Å; V1665-K1669 WeakPolarHBondContact O-CB 3.44Å; V1665-K1669 VanDerWaalsContact O-CG 3.25Å; V1665-K1669 WeakPolarHBondContact O-CG 3.48Å; V1665-K1669 PolarHBondContact O-N 3.05Å; I1666-K1669 PolarHBondContact O-N 3.17Å; K1669-C1672 CarbonylContact O-C 3.57Å; K1669-C1672 PolarHBondContact O-N 2.97Å; K1669-Q1673 WeakPolarHBondContact O-CG 3.4Å; K1669-Q1673 PolarHBondContact O-N 3Å; K1669-Q1673 VanDerWaalsContact O-N 3.1Å; K1669-Q1673 PolarHBondContact O-NE2 2.67Å; K1669-F1707 HydrophobicContact CB-CD2 3.85Å; K1669-F1707 HydrophobicContact CB-CE2 4.23Å; K1669-D1711 IonicContact NZ-OD1 3.29Å; K1669-D1711 PolarHBondContact NZ-OD1 3.43Å; K1669-D1711 IonicContact NZ-OD2 2.7Å; K1669-D1711 PolarHBondContact NZ-OD2 3.23Å
1670F86Confident85.1Confident2 Ų239.1 Ų39.11%0.00922%0.216CC..Hα-helixtrans-59.2-52.5176.6-178.3-81.1000111.4G1183 T1184 A1188 L1189 I1192 I1666 V1667 I1668 C1672 Q1673 F1674 F1707G1183-F1670 WeakPolarHBondContact O-CE2 3.47Å; T1184-F1670 WeakPolarHBondContact O-CZ 3.5Å; A1188-F1670 HydrophobicContact CB-CE2 4.22Å; A1188-F1670 HydrophobicContact CB-CZ 4.15Å; L1189-F1670 HydrophobicContact CB-CE1 3.92Å; L1189-F1670 HydrophobicContact CB-CZ 4.1Å; L1189-F1670 HydrophobicContact CD1-CD1 3.89Å; L1189-F1670 HydrophobicContact CD1-CE1 3.75Å; L1189-F1670 HydrophobicContact CG-CE1 4.43Å; I1192-F1670 HydrophobicContact CD1-CD2 3.48Å; I1192-F1670 VanDerWaalsContact CD1-CD2 3.48Å; I1192-F1670 HydrophobicContact CD1-CE2 3.64Å; I1192-F1670 HydrophobicContact CD1-CG 4.15Å; I1192-F1670 HydrophobicContact CD1-CZ 4.43Å; I1666-F1670 WeakPolarHBondContact O-CB 3.44Å; I1666-F1670 PolarHBondContact O-N 3.44Å; V1667-F1670 PolarHBondContact O-N 3.31Å; I1668-F1670 VanDerWaalsContact C-N 3.34Å; I1668-F1670 PolarHBondContact O-N 2.89Å; F1670-C1672 PolarHBondContact O-N 2.88Å; F1670-Q1673 PolarHBondContact O-N 3.2Å; F1670-F1674 HydrophobicContact CE1-CE2 4.23Å; F1670-F1674 HydrophobicContact CE1-CZ 4.24Å; F1670-F1707 HydrophobicContact CB-CE2 4.24Å; F1670-F1707 HydrophobicContact CB-CZ 4.42Å; F1670-F1707 HydrophobicContact CD2-CZ 4.11Å
1671V85.5Confident84.5Confident59 Ų5938.6 Ų38.636%0.35821%0.214SC..Hα-helixtrans-60.5-30.9177.6171.70000111.7V1667 I1668 F1674 M1677V1667-V1671 HydrophobicContact CG1-CG2 4.44Å; V1667-V1671 WeakPolarHBondContact O-CG2 3.45Å; V1667-V1671 PolarHBondContact O-N 3.32Å; I1668-V1671 PolarHBondContact O-N 3.06Å; V1671-F1674 WeakPolarHBondContact O-CD2 3.26Å; V1671-M1677 HydrophobicContact CG1-CE 4.25Å; V1671-M1677 WeakPolarHBondContact O-CE 3.44Å
1672C86.3Confident83.8Confident24 Ų2440.8 Ų40.816%0.16223%0.23CC..Hα-helixtrans-82.2-7.3176.3-73.30000115.3I1668 K1669 F1670 Y1679 N1680 V1701I1668-C1672 WeakPolarHBondContact O-CB 3.38Å; I1668-C1672 PolarHBondContact O-N 3.4Å; I1668-C1672 PolarHBondContact O-SG 2.9Å; I1668-C1672 VanDerWaalsContact O-SG 3.36Å; K1669-C1672 CarbonylContact O-C 3.57Å; K1669-C1672 PolarHBondContact O-N 2.97Å; F1670-C1672 PolarHBondContact O-N 2.88Å; C1672-Y1679 WeakPolarHBondContact CA-OH 3.4Å; C1672-Y1679 VanDerWaalsContact CB-OH 3.28Å; C1672-Y1679 WeakPolarHBondContact CB-OH 3.34Å; C1672-Y1679 PolarHBondContact O-OH 2.77Å; C1672-Y1679 PolarHBondContact SG-OH 3.47Å; C1672-N1680 PolarHBondContact O-ND2 3.24Å; C1672-V1701 HydrophobicContact CB-CG1 3.3Å
1673Q83.8Confident83.2Confident7 Ų746 Ų463%0.03326%0.262CS..Hα-helixtrans-79.4-19.9172.1-64.8-51.3-8700113.2T1184 K1669 F1670 A1675 N1680 Q1703 R1704 F1707T1184-Q1673 HydrophobicContact CG2-CB 3.63Å; T1184-Q1673 HydrophobicContact CG2-CG 4.38Å; K1669-Q1673 WeakPolarHBondContact O-CG 3.4Å; K1669-Q1673 PolarHBondContact O-N 3Å; K1669-Q1673 VanDerWaalsContact O-N 3.1Å; K1669-Q1673 PolarHBondContact O-NE2 2.67Å; F1670-Q1673 PolarHBondContact O-N 3.2Å; Q1673-A1675 PolarHBondContact O-N 2.83Å; Q1673-N1680 PolarHBondContact O-ND2 3.18Å; Q1673-Q1703 VanDerWaalsContact OE1-CA 3.29Å; Q1673-R1704 PolarHBondContact OE1-O 2.94Å; Q1673-F1707 HydrophobicContact CG-CB 4.36Å; Q1673-F1707 HydrophobicContact CG-CD1 3.55Å; Q1673-F1707 HydrophobicContact CG-CD2 3.95Å; Q1673-F1707 HydrophobicContact CG-CE1 3.72Å; Q1673-F1707 HydrophobicContact CG-CE2 4.09Å; Q1673-F1707 HydrophobicContact CG-CG 3.68Å; Q1673-F1707 HydrophobicContact CG-CZ 3.99Å
1674F82Confident83Confident15 Ų1548.2 Ų48.27%0.06627%0.269CS..  trans-54.3134.5-177.2-82.1-67.6000112.4T1184 L1266 F1670 V1671 F1676 M1677 N1680T1184-F1674 WeakPolarHBondContact O-CE1 3.44Å; T1184-F1674 WeakPolarHBondContact O-CZ 3.3Å; L1266-F1674 HydrophobicContact CD1-CE1 4.25Å; L1266-F1674 HydrophobicContact CD1-CZ 4.23Å; F1670-F1674 HydrophobicContact CE1-CE2 4.23Å; F1670-F1674 HydrophobicContact CE1-CZ 4.24Å; V1671-F1674 WeakPolarHBondContact O-CD2 3.26Å; F1674-F1676 HydrophobicContact CB-CD1 3.76Å; F1674-F1676 HydrophobicContact CB-CE1 3.4Å; F1674-F1676 HydrophobicContact CB-CE2 4.37Å; F1674-F1676 HydrophobicContact CB-CG 4.38Å; 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 3.95Å; F1674-F1676 HydrophobicContact CD2-CE1 3.95Å; F1674-F1676 HydrophobicContact CD2-CZ 4.02Å; F1674-F1676 HydrophobicContact CG-CD1 4.22Å; F1674-F1676 AromaticContact CG-CE1 3.49Å; F1674-F1676 HydrophobicContact CG-CE1 3.49Å; F1674-F1676 VanDerWaalsContact CG-CE1 3.49Å; F1674-F1676 AromaticContact CG-CZ 3.95Å; F1674-F1676 HydrophobicContact CG-CZ 3.95Å; F1674-F1676 PolarHBondContact O-N 3.4Å; F1674-M1677 WeakPolarHBondContact O-CB 3.47Å; F1674-M1677 WeakPolarHBondContact O-CG 3.46Å; F1674-M1677 PolarHBondContact O-N 2.94Å; F1674-M1677 VanDerWaalsContact O-N 3.15Å; F1674-N1680 PolarHBondContact O-ND2 3.11Å
1675A74.1Confident82.5Confident40 Ų4050.3 Ų50.333%0.33127%0.267SS..THydrogen-bonded Turntrans-68.4-14.5-174.300000114.9Q1673 M1677Q1673-A1675 PolarHBondContact O-N 2.83Å; A1675-M1677 PolarHBondContact O-N 3.43Å
1676F78.4Confident82Confident85 Ų8554.6 Ų54.637%0.37329%0.293SS..THydrogen-bonded Turntrans-74.3-11.8173.363.2-107.1000113.7I1262 F1674I1262-F1676 HydrophobicContact CG1-CB 4.23Å; F1674-F1676 HydrophobicContact CB-CD1 3.76Å; F1674-F1676 HydrophobicContact CB-CE1 3.4Å; F1674-F1676 HydrophobicContact CB-CE2 4.37Å; F1674-F1676 HydrophobicContact CB-CG 4.38Å; 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 3.95Å; F1674-F1676 HydrophobicContact CD2-CE1 3.95Å; F1674-F1676 HydrophobicContact CD2-CZ 4.02Å; F1674-F1676 HydrophobicContact CG-CD1 4.22Å; F1674-F1676 AromaticContact CG-CE1 3.49Å; F1674-F1676 HydrophobicContact CG-CE1 3.49Å; F1674-F1676 VanDerWaalsContact CG-CE1 3.49Å; F1674-F1676 AromaticContact CG-CZ 3.95Å; F1674-F1676 HydrophobicContact CG-CZ 3.95Å; F1674-F1676 PolarHBondContact O-N 3.4Å
1677M80.9Confident81.7Confident41 Ų4161.2 Ų61.220%0.20232%0.324CS..SBendtrans-70.2128.7175.9-66.1-66.4-172.400110V1671 F1674 A1675 Y1679 N1680V1671-M1677 HydrophobicContact CG1-CE 4.25Å; V1671-M1677 WeakPolarHBondContact O-CE 3.44Å; F1674-M1677 WeakPolarHBondContact O-CB 3.47Å; F1674-M1677 WeakPolarHBondContact O-CG 3.46Å; F1674-M1677 PolarHBondContact O-N 2.94Å; F1674-M1677 VanDerWaalsContact O-N 3.15Å; A1675-M1677 PolarHBondContact O-N 3.43Å; M1677-Y1679 VanDerWaalsContact C-N 3.27Å; M1677-Y1679 HydrophobicContact CB-CD1 4.39Å; M1677-Y1679 HydrophobicContact CB-CE1 3.83Å; M1677-Y1679 HydrophobicContact CB-CE2 4.02Å; M1677-Y1679 HydrophobicContact CG-CE1 4.33Å; M1677-Y1679 WeakPolarHBondContact CG-OH 3.32Å; M1677-Y1679 PolarHBondContact O-N 2.76Å; M1677-Y1679 VanDerWaalsContact O-N 3.14Å; M1677-Y1679 HydrophobicContact SD-CE1 4.42Å; M1677-N1680 HydrophobicContact CB-CB 4.48Å; M1677-N1680 WeakPolarHBondContact O-CB 3.45Å; M1677-N1680 PolarHBondContact O-N 3.47Å
1678P79.2Confident81.5Confident99 Ų9960.4 Ų60.464%0.64332%0.316SS*.G310 helixtrans-62.6-30.4-168.822.5-33.4000113.8N1680 S1681P1678-N1680 VanDerWaalsContact C-N 3.32Å; P1678-N1680 PolarHBondContact O-N 3.5Å; P1678-S1681 VanDerWaalsContact O-CB 3.29Å; P1678-S1681 WeakPolarHBondContact O-CB 3.46Å; P1678-S1681 PolarHBondContact O-N 3.46Å; P1678-S1681 PolarHBondContact O-OG 3.45Å
1679Y82Confident80.9Confident54 Ų5462.8 Ų62.821%0.21233%0.325CS..G310 helixtrans-75.9-14.5176.857.3-100.6000114.1C1672 M1677 S1681 D1696 V1701C1672-Y1679 WeakPolarHBondContact CA-OH 3.4Å; C1672-Y1679 VanDerWaalsContact CB-OH 3.28Å; C1672-Y1679 WeakPolarHBondContact CB-OH 3.34Å; C1672-Y1679 PolarHBondContact O-OH 2.77Å; C1672-Y1679 PolarHBondContact SG-OH 3.47Å; M1677-Y1679 VanDerWaalsContact C-N 3.27Å; M1677-Y1679 HydrophobicContact CB-CD1 4.39Å; M1677-Y1679 HydrophobicContact CB-CE1 3.83Å; M1677-Y1679 HydrophobicContact CB-CE2 4.02Å; M1677-Y1679 HydrophobicContact CG-CE1 4.33Å; M1677-Y1679 WeakPolarHBondContact CG-OH 3.32Å; M1677-Y1679 PolarHBondContact O-N 2.76Å; M1677-Y1679 VanDerWaalsContact O-N 3.14Å; M1677-Y1679 HydrophobicContact SD-CE1 4.42Å; Y1679-S1681 VanDerWaalsContact C-N 3.33Å; Y1679-D1696 HydrophobicContact CD2-CB 4.36Å; Y1679-V1701 HydrophobicContact CE2-CG1 4.43Å
1680N79.7Confident80.2Confident8 Ų870.4 Ų70.44%0.04336%0.363CS..G310 helixtrans-82.9-14.5173.4-71.1-22.1000112.3C1672 Q1673 F1674 M1677 P1678 R1685C1672-N1680 PolarHBondContact O-ND2 3.24Å; Q1673-N1680 PolarHBondContact O-ND2 3.18Å; F1674-N1680 PolarHBondContact O-ND2 3.11Å; M1677-N1680 HydrophobicContact CB-CB 4.48Å; M1677-N1680 WeakPolarHBondContact O-CB 3.45Å; M1677-N1680 PolarHBondContact O-N 3.47Å; P1678-N1680 VanDerWaalsContact C-N 3.32Å; P1678-N1680 PolarHBondContact O-N 3.5Å; N1680-R1685 PolarHBondContact O-NH2 3.3Å
1681S78.3Confident79.7Confident42 Ų4273.1 Ų73.129%0.29438%0.378SS..SBendtrans-54145.817569.10000112.1P1678 Y1679 T1683 W1684 R1685P1678-S1681 VanDerWaalsContact O-CB 3.29Å; P1678-S1681 WeakPolarHBondContact O-CB 3.46Å; P1678-S1681 PolarHBondContact O-N 3.46Å; P1678-S1681 PolarHBondContact O-OG 3.45Å; Y1679-S1681 VanDerWaalsContact C-N 3.33Å; S1681-T1683 PolarHBondContact O-N 2.91Å; S1681-T1683 PolarHBondContact OG-OG1 2.74Å; S1681-W1684 PolarHBondContact O-N 3.47Å; S1681-W1684 WeakPolarHBondContact OG-CB 3.44Å; S1681-W1684 PolarHBondContact OG-N 3.18Å; S1681-R1685 PolarHBondContact O-N 2.89Å
1682I77.3Confident79.1Confident119 Ų11971.1 Ų71.161%0.6137%0.366SS*.Hα-helixtrans-60-40.5-179.1-59.4173.9000110R1685 T1686I1682-R1685 PolarHBondContact O-N 3.49Å; I1682-T1686 PolarHBondContact O-N 3.09Å; I1682-T1686 PolarHBondContact O-OG1 3.16Å
1683T80.3Confident78.6Confident109 Ų10973.4 Ų73.467%0.66938%0.375SS*.Hα-helixtrans-58.2-52177.5430000112.9S1681 R1685 T1686 E1687S1681-T1683 PolarHBondContact O-N 2.91Å; S1681-T1683 PolarHBondContact OG-OG1 2.74Å; T1683-R1685 VanDerWaalsContact C-N 3.31Å; T1683-R1685 PolarHBondContact O-N 2.69Å; T1683-T1686 PolarHBondContact O-N 3.11Å; T1683-E1687 WeakPolarHBondContact O-CB 3.1Å; T1683-E1687 PolarHBondContact O-N 3.48Å
1684W84.4Confident78.4Confident76 Ų7673.3 Ų73.329%0.28838%0.375SS..Hα-helixtrans-58.6-44.9178.1179.1-87.4000111.7S1681 T1686 E1687 H1688 D1696S1681-W1684 PolarHBondContact O-N 3.47Å; S1681-W1684 WeakPolarHBondContact OG-CB 3.44Å; S1681-W1684 PolarHBondContact OG-N 3.18Å; W1684-T1686 PolarHBondContact O-N 3.34Å; W1684-E1687 PolarHBondContact O-N 3.2Å; W1684-H1688 AromaticContact CD2-CE1 3.85Å; W1684-H1688 AromaticContact CD2-ND1 3.62Å; W1684-H1688 AromaticContact CE2-CE1 3.95Å; W1684-H1688 AromaticContact CE2-ND1 3.69Å; W1684-H1688 AromaticContact CE3-CE1 3.7Å; W1684-H1688 AromaticContact CE3-ND1 3.92Å; W1684-H1688 AromaticContact CH2-CE1 3.79Å; W1684-H1688 AromaticContact CH2-NE2 3.93Å; W1684-H1688 AromaticContact CZ2-CE1 3.94Å; W1684-H1688 AromaticContact CZ3-CE1 3.67Å; W1684-H1688 WeakPolarHBondContact O-CB 3.28Å; W1684-H1688 PolarHBondContact O-N 3.28Å; W1684-H1688 PolarHBondContact O-ND1 3.43Å; W1684-H1688 VanDerWaalsContact O-ND1 3.16Å; W1684-D1696 PolarHBondContact NE1-OD1 2.95Å
1685R77.9Confident78.4Confident113 Ų11377.8 Ų77.843%0.42640%0.4SS..Hα-helixtrans-62.8-41-177.4-166.8-174.2-48.1-161.93.7112.5N1680 S1681 I1682 T1683 Q1689N1680-R1685 PolarHBondContact O-NH2 3.3Å; S1681-R1685 PolarHBondContact O-N 2.89Å; I1682-R1685 PolarHBondContact O-N 3.49Å; T1683-R1685 VanDerWaalsContact C-N 3.31Å; T1683-R1685 PolarHBondContact O-N 2.69Å; R1685-Q1689 WeakPolarHBondContact O-CA 3.27Å; R1685-Q1689 WeakPolarHBondContact O-CB 3.38Å; R1685-Q1689 PolarHBondContact O-N 2.97Å
1686T80Confident78.6Confident92 Ų9277 Ų7756%0.56439%0.389SS*.Hα-helixtrans-70.4-47.4177.9-61.80000111.5I1682 T1683 W1684 H1688 Q1689I1682-T1686 PolarHBondContact O-N 3.09Å; I1682-T1686 PolarHBondContact O-OG1 3.16Å; T1683-T1686 PolarHBondContact O-N 3.11Å; W1684-T1686 PolarHBondContact O-N 3.34Å; T1686-H1688 PolarHBondContact O-N 3.33Å; T1686-Q1689 WeakPolarHBondContact O-CB 3.2Å; T1686-Q1689 PolarHBondContact O-N 3.23Å
1687E81.4Confident78.6Confident150 Ų15075.4 Ų75.470%0.70138%0.383SS*.Hα-helixtrans-58-48178.9-179.1176.8-145.200111.7T1683 W1684 Q1689T1683-E1687 WeakPolarHBondContact O-CB 3.1Å; T1683-E1687 PolarHBondContact O-N 3.48Å; W1684-E1687 PolarHBondContact O-N 3.2Å; E1687-Q1689 VanDerWaalsContact C-N 3.35Å; E1687-Q1689 PolarHBondContact O-N 2.92Å
1688H81.2Confident78.5Confident43 Ų4375.8 Ų75.820%0.19939%0.385CS..THydrogen-bonded Turntrans-88.65.2-175.4-65.881.6000113.6W1684 T1686 M1690 D1691 K1697W1684-H1688 AromaticContact CD2-CE1 3.85Å; W1684-H1688 AromaticContact CD2-ND1 3.62Å; W1684-H1688 AromaticContact CE2-CE1 3.95Å; W1684-H1688 AromaticContact CE2-ND1 3.69Å; W1684-H1688 AromaticContact CE3-CE1 3.7Å; W1684-H1688 AromaticContact CE3-ND1 3.92Å; W1684-H1688 AromaticContact CH2-CE1 3.79Å; W1684-H1688 AromaticContact CH2-NE2 3.93Å; W1684-H1688 AromaticContact CZ2-CE1 3.94Å; W1684-H1688 AromaticContact CZ3-CE1 3.67Å; W1684-H1688 WeakPolarHBondContact O-CB 3.28Å; W1684-H1688 PolarHBondContact O-N 3.28Å; W1684-H1688 PolarHBondContact O-ND1 3.43Å; W1684-H1688 VanDerWaalsContact O-ND1 3.16Å; T1686-H1688 PolarHBondContact O-N 3.33Å; H1688-M1690 PolarHBondContact O-N 3.2Å; H1688-D1691 PolarHBondContact O-N 3.43Å; H1688-K1697 PolarHBondContact O-NZ 2.69Å
1689Q74.9Confident78.7Confident131 Ų13175.3 Ų75.361%0.61237%0.373SS*.THydrogen-bonded Turntrans-56.2-44.3-169.6-173.4170.3-20.900113.4R1685 T1686 E1687 K1697R1685-Q1689 WeakPolarHBondContact O-CA 3.27Å; R1685-Q1689 WeakPolarHBondContact O-CB 3.38Å; R1685-Q1689 PolarHBondContact O-N 2.97Å; T1686-Q1689 WeakPolarHBondContact O-CB 3.2Å; T1686-Q1689 PolarHBondContact O-N 3.23Å; E1687-Q1689 VanDerWaalsContact C-N 3.35Å; E1687-Q1689 PolarHBondContact O-N 2.92Å; Q1689-K1697 PolarHBondContact O-NZ 3.23Å
1690M70.2Confident78.5Confident169 Ų16973.4 Ų73.483%0.83337%0.37SS*.THydrogen-bonded Turntrans-82.6-14.7-177.1-69-63.4-167.900114.6H1688 P1692H1688-M1690 PolarHBondContact O-N 3.2Å; M1690-P1692 VanDerWaalsContact O-CD 3.31Å; M1690-P1692 WeakPolarHBondContact O-CD 3.45Å
1691D77.2Confident78.5Confident59 Ų5973.7 Ų73.732%0.31637%0.372SS..  trans-84.5116.4-179.5-179.319000111.5H1688 M1693 S1694 K1697H1688-D1691 PolarHBondContact O-N 3.43Å; D1691-M1693 PolarHBondContact O-N 3.11Å; D1691-M1693 PolarHBondContact OD1-N 3.04Å; D1691-S1694 PolarHBondContact O-OG 3Å; D1691-S1694 PolarHBondContact OD2-N 2.87Å; D1691-K1697 PolarHBondContact O-NZ 3.49Å
1692P71.1Confident78.3Confident17 Ų1772.8 Ų72.811%0.1137%0.366CS..THydrogen-bonded Turntrans-70.7-16.4174.230.4-35.8000113.9M1690 P1918M1690-P1692 VanDerWaalsContact O-CD 3.31Å; M1690-P1692 WeakPolarHBondContact O-CD 3.45Å; P1692-P1918 HydrophobicContact CB-CB 4.08Å
1693M76.7Confident78.3Confident73 Ų7369.3 Ų69.336%0.3635%0.347SS..THydrogen-bonded Turntrans-96.7-0.8-174.4-62.5-60.1-64.800114.5D1691D1691-M1693 PolarHBondContact O-N 3.11Å; D1691-M1693 PolarHBondContact OD1-N 3.04Å
1694S79.5Confident78Confident5 Ų568.7 Ų68.74%0.03533%0.332CS..  trans-53136.617442.90000112.6D1691 D1696 K1697 L1698D1691-S1694 PolarHBondContact O-OG 3Å; D1691-S1694 PolarHBondContact OD2-N 2.87Å; S1694-D1696 VanDerWaalsContact C-N 3.31Å; S1694-D1696 PolarHBondContact O-N 3.26Å; S1694-K1697 PolarHBondContact O-N 2.76Å; S1694-K1697 VanDerWaalsContact OG-CD 3.25Å; S1694-K1697 WeakPolarHBondContact OG-CD 2.99Å; S1694-K1697 WeakPolarHBondContact OG-CE 3.36Å; S1694-K1697 WeakPolarHBondContact OG-CG 3.38Å; S1694-K1697 PolarHBondContact OG-NZ 3.15Å; S1694-L1698 PolarHBondContact O-N 3.38Å
1695L81.2Confident77.5Confident109 Ų10971.2 Ų71.257%0.57135%0.351SS*.Hα-helixtrans-57.7-38.8-167.4-67.6175.5000113.7K1697 L1698 F1699L1695-K1697 VanDerWaalsContact C-N 3.31Å; L1695-K1697 PolarHBondContact O-N 2.7Å; L1695-L1698 PolarHBondContact O-N 2.79Å; L1695-F1699 HydrophobicContact CD2-CE2 4.38Å; L1695-F1699 WeakPolarHBondContact O-CD2 3.45Å; L1695-F1699 PolarHBondContact O-N 2.8Å
1696D79.4Confident77.3Confident22 Ų2269.7 Ų69.712%0.11836%0.358CS..Hα-helixtrans-65.3-32.7178.360.3-79.5000112.7Y1679 W1684 S1694 G1700 V1701 S1702Y1679-D1696 HydrophobicContact CD2-CB 4.36Å; W1684-D1696 PolarHBondContact NE1-OD1 2.95Å; S1694-D1696 VanDerWaalsContact C-N 3.31Å; S1694-D1696 PolarHBondContact O-N 3.26Å; D1696-G1700 PolarHBondContact O-N 3.17Å; D1696-V1701 PolarHBondContact O-N 2.64Å; D1696-S1702 PolarHBondContact O-N 2.92Å
1697K77Confident77.2Confident53 Ų5366.9 Ų66.923%0.2334%0.338CS..Hα-helixtrans-80-42.2174.1-58.1-178.7-155.11600111.4H1688 Q1689 D1691 S1694 L1695 F1699 G1700H1688-K1697 PolarHBondContact O-NZ 2.69Å; Q1689-K1697 PolarHBondContact O-NZ 3.23Å; D1691-K1697 PolarHBondContact O-NZ 3.49Å; S1694-K1697 PolarHBondContact O-N 2.76Å; S1694-K1697 VanDerWaalsContact OG-CD 3.25Å; S1694-K1697 WeakPolarHBondContact OG-CD 2.99Å; S1694-K1697 WeakPolarHBondContact OG-CE 3.36Å; S1694-K1697 WeakPolarHBondContact OG-CG 3.38Å; S1694-K1697 PolarHBondContact OG-NZ 3.15Å; L1695-K1697 VanDerWaalsContact C-N 3.31Å; L1695-K1697 PolarHBondContact O-N 2.7Å; K1697-F1699 PolarHBondContact O-N 3.04Å; K1697-G1700 PolarHBondContact O-N 3.05Å; K1697-G1700 VanDerWaalsContact O-N 3.09Å
1698L79.6Confident77Confident48 Ų4859.8 Ų59.825%0.25131%0.305SS..Hα-helixtrans-61-42.8-179.9-177.963.5000112L1630 S1694 L1695 L1915L1630-L1698 WeakPolarHBondContact CB-O 3.29Å; L1630-L1698 PolarHBondContact N-O 3.13Å; S1694-L1698 PolarHBondContact O-N 3.38Å; L1695-L1698 PolarHBondContact O-N 2.79Å; L1698-L1915 HydrophobicContact CD1-CD2 4.11Å
1699F83.8Confident76.9Confident90 Ų9062 Ų6240%0.39532%0.318SS..Hα-helixtrans-78.5-21.4173.9-74.4-67.2000113.5G1629 L1630 I1631 L1695 K1697 V1701G1629-F1699 WeakPolarHBondContact CA-O 3.38Å; L1630-F1699 HydrophobicContact CB-CD1 4.16Å; L1630-F1699 HydrophobicContact CD2-CD1 4.34Å; L1630-F1699 HydrophobicContact CD2-CE1 3.99Å; I1631-F1699 HydrophobicContact CD1-CB 4.06Å; I1631-F1699 HydrophobicContact CD1-CD1 4.39Å; I1631-F1699 HydrophobicContact CG1-CB 4.16Å; I1631-F1699 HydrophobicContact CG1-CD1 3.99Å; I1631-F1699 WeakPolarHBondContact CG1-O 3.47Å; I1631-F1699 PolarHBondContact N-O 2.83Å; L1695-F1699 HydrophobicContact CD2-CE2 4.38Å; L1695-F1699 WeakPolarHBondContact O-CD2 3.45Å; L1695-F1699 PolarHBondContact O-N 2.8Å; K1697-F1699 PolarHBondContact O-N 3.04Å; F1699-V1701 HydrophobicContact CB-CG2 3.74Å
1700G77Confident77.5Confident14 Ų1459.8 Ų59.814%0.14430%0.304CS..THydrogen-bonded Turntrans83.437.9-178.300000113.8D1696 K1697D1696-G1700 PolarHBondContact O-N 3.17Å; K1697-G1700 PolarHBondContact O-N 3.05Å; K1697-G1700 VanDerWaalsContact O-N 3.09Å
1701V79.9Confident78.3Confident14 Ų1451.8 Ų51.89%0.08527%0.265CS..  trans-118.1-7.6-166.1-176.90000113.1I1631 C1672 Y1679 D1696 F1699I1631-V1701 HydrophobicContact CD1-CG2 3.58Å; C1672-V1701 HydrophobicContact CB-CG1 3.3Å; Y1679-V1701 HydrophobicContact CE2-CG1 4.43Å; D1696-V1701 PolarHBondContact O-N 2.64Å; F1699-V1701 HydrophobicContact CB-CG2 3.74Å
1702S75.3Confident78.7Confident23 Ų2349.8 Ų49.816%0.16125%0.254CS..  trans-44.6136.9174.165.40000113.8D1696 R1704D1696-S1702 PolarHBondContact O-N 2.92Å; S1702-R1704 PolarHBondContact O-N 2.92Å; S1702-R1704 PolarHBondContact OG-NE 3.44Å
1703Q76.5Confident79.5Confident46 Ų4651.4 Ų51.422%0.21526%0.263CS..  trans-57130.8176.4-171.8-174.5-3.800112.4E1292 Q1673E1292-Q1703 PolarHBondContact OE1-NE2 2.82Å; Q1673-Q1703 VanDerWaalsContact OE1-CA 3.29Å
1704R74.7Confident80.2Confident96 Ų9647.9 Ų47.936%0.36225%0.246SC..  trans-152.5139.4176.7-62.7-176-172.3-1803.7112.3Q1673 S1702 S1706 F1707Q1673-R1704 PolarHBondContact OE1-O 2.94Å; S1702-R1704 PolarHBondContact O-N 2.92Å; S1702-R1704 PolarHBondContact OG-NE 3.44Å; R1704-S1706 PolarHBondContact O-N 3.19Å; R1704-F1707 PolarHBondContact O-N 3.35Å; R1704-F1707 VanDerWaalsContact O-N 3.12Å
1705D72.6Confident80.7Confident128 Ų12847.7 Ų47.768%0.68425%0.245SC*.THydrogen-bonded Turntrans-52.1-9.1175.7-61.962000116.5K1294K1294-D1705 IonicContact NZ-OD2 2.8Å; K1294-D1705 PolarHBondContact NZ-OD2 2.76Å
1706S74.5Confident81Confident82 Ų8245 Ų4557%0.57323%0.228SC*.THydrogen-bonded Turntrans-14839.4178.5-66.70000112.4R1704 A1708 L1709R1704-S1706 PolarHBondContact O-N 3.19Å; S1706-A1708 VanDerWaalsContact C-N 3.25Å; S1706-A1708 PolarHBondContact O-N 3.08Å; S1706-A1708 VanDerWaalsContact O-N 3.08Å; S1706-L1709 PolarHBondContact O-N 3.05Å
1707F76.5Confident81.4Confident32 Ų3244.6 Ų44.614%0.1423%0.227CC..THydrogen-bonded Turntrans-50.8-30.6-173.165.3-87.6000116.6K1669 F1670 Q1673 R1704K1669-F1707 HydrophobicContact CB-CD2 3.85Å; K1669-F1707 HydrophobicContact CB-CE2 4.23Å; F1670-F1707 HydrophobicContact CB-CE2 4.24Å; F1670-F1707 HydrophobicContact CB-CZ 4.42Å; F1670-F1707 HydrophobicContact CD2-CZ 4.11Å; Q1673-F1707 HydrophobicContact CG-CB 4.36Å; Q1673-F1707 HydrophobicContact CG-CD1 3.55Å; Q1673-F1707 HydrophobicContact CG-CD2 3.95Å; Q1673-F1707 HydrophobicContact CG-CE1 3.72Å; Q1673-F1707 HydrophobicContact CG-CE2 4.09Å; Q1673-F1707 HydrophobicContact CG-CG 3.68Å; Q1673-F1707 HydrophobicContact CG-CZ 3.99Å; R1704-F1707 PolarHBondContact O-N 3.35Å; R1704-F1707 VanDerWaalsContact O-N 3.12Å
1708A77.3Confident82.1Confident2 Ų242.1 Ų42.12%0.01722%0.216CC..THydrogen-bonded Turntrans-112.7-0.5-173.100000115.5S1706 W1710 D1711 I1712S1706-A1708 VanDerWaalsContact C-N 3.25Å; S1706-A1708 PolarHBondContact O-N 3.08Å; S1706-A1708 VanDerWaalsContact O-N 3.08Å; A1708-W1710 VanDerWaalsContact C-N 3.31Å; A1708-W1710 PolarHBondContact O-N 3.4Å; A1708-D1711 WeakPolarHBondContact CA-OD2 3.1Å; A1708-D1711 WeakPolarHBondContact O-CB 3.3Å; A1708-D1711 PolarHBondContact O-N 3.11Å; A1708-I1712 HydrophobicContact CB-CD1 3.74Å; A1708-I1712 HydrophobicContact CB-CG1 4.27Å; A1708-I1712 VanDerWaalsContact O-CD1 3.31Å; A1708-I1712 WeakPolarHBondContact O-CD1 3.42Å; A1708-I1712 WeakPolarHBondContact O-CG1 3.25Å; A1708-I1712 PolarHBondContact O-N 3.26Å
1709L80.7Confident82.5Confident88 Ų8840.2 Ų40.246%0.46121%0.206SC..Hα-helixtrans-55.7-43.1-166.1-175.8150.2000113.2S1706 I1712 V1713S1706-L1709 PolarHBondContact O-N 3.05Å; L1709-I1712 PolarHBondContact O-N 3.48Å; L1709-V1713 HydrophobicContact CD2-CG2 4.37Å; L1709-V1713 WeakPolarHBondContact O-CG2 3.2Å; L1709-V1713 PolarHBondContact O-N 3.41Å
1710W86.9Confident82.7Confident86 Ų8639.9 Ų39.933%0.32621%0.205SC..Hα-helixtrans-72.3-36.3178.6-67.7102.9000112.8M1622 M1626 A1708 I1712 V1713 L1714M1622-W1710 HydrophobicContact CB-CE3 4.17Å; M1622-W1710 HydrophobicContact CB-CZ3 4.33Å; M1626-W1710 HydrophobicContact CB-CG 4.23Å; M1626-W1710 HydrophobicContact CE-CZ2 4.3Å; M1626-W1710 HydrophobicContact CG-CD2 4.25Å; M1626-W1710 HydrophobicContact CG-CG 4.26Å; M1626-W1710 HydrophobicContact CG-CZ2 4.34Å; A1708-W1710 VanDerWaalsContact C-N 3.31Å; A1708-W1710 PolarHBondContact O-N 3.4Å; W1710-I1712 VanDerWaalsContact C-N 3.27Å; W1710-I1712 PolarHBondContact O-N 3.43Å; W1710-V1713 PolarHBondContact O-N 2.94Å; W1710-L1714 WeakPolarHBondContact O-CB 3.49Å; W1710-L1714 PolarHBondContact O-N 3.26Å
1711D86.8Confident83.3Confident1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-62-36.8173.2-48.6-98.6000111.3V1665 I1666 K1669 A1708 L1714 L1715V1665-D1711 WeakPolarHBondContact CG1-OD1 3.4Å; I1666-D1711 HydrophobicContact CD1-CB 4.06Å; I1666-D1711 HydrophobicContact CG1-CB 3.67Å; K1669-D1711 IonicContact NZ-OD1 3.29Å; K1669-D1711 PolarHBondContact NZ-OD1 3.43Å; K1669-D1711 IonicContact NZ-OD2 2.7Å; K1669-D1711 PolarHBondContact NZ-OD2 3.23Å; A1708-D1711 WeakPolarHBondContact CA-OD2 3.1Å; A1708-D1711 WeakPolarHBondContact O-CB 3.3Å; A1708-D1711 PolarHBondContact O-N 3.11Å; D1711-L1714 PolarHBondContact O-N 3.12Å; D1711-L1715 VanDerWaalsContact O-CB 3.31Å; D1711-L1715 WeakPolarHBondContact O-CB 3.49Å; D1711-L1715 PolarHBondContact O-N 3.38Å
1712I86.6Confident83.7Confident16 Ų1639.6 Ų39.68%0.08220%0.198CC..Hα-helixtrans-71.9-40.1177.2-64.1151.4000111.6L1177 I1181 I1666 A1708 L1709 W1710 L1714 L1715 F1716L1177-I1712 HydrophobicContact CD2-CG2 4.06Å; I1181-I1712 HydrophobicContact CD1-CD1 3.33Å; I1181-I1712 HydrophobicContact CD1-CG1 4.15Å; I1181-I1712 HydrophobicContact CD1-CG2 4.4Å; I1181-I1712 HydrophobicContact CG1-CD1 3.78Å; I1181-I1712 HydrophobicContact CG2-CD1 4.01Å; I1666-I1712 HydrophobicContact CD1-CG1 4.18Å; A1708-I1712 HydrophobicContact CB-CD1 3.74Å; A1708-I1712 HydrophobicContact CB-CG1 4.27Å; A1708-I1712 VanDerWaalsContact O-CD1 3.31Å; A1708-I1712 WeakPolarHBondContact O-CD1 3.42Å; A1708-I1712 WeakPolarHBondContact O-CG1 3.25Å; A1708-I1712 PolarHBondContact O-N 3.26Å; L1709-I1712 PolarHBondContact O-N 3.48Å; W1710-I1712 VanDerWaalsContact C-N 3.27Å; W1710-I1712 PolarHBondContact O-N 3.43Å; I1712-L1714 VanDerWaalsContact C-N 3.33Å; I1712-L1715 WeakPolarHBondContact O-CB 3.46Å; I1712-L1715 PolarHBondContact O-N 3.25Å; I1712-F1716 HydrophobicContact CG2-CD2 3.77Å; I1712-F1716 HydrophobicContact CG2-CE2 3.41Å; I1712-F1716 VanDerWaalsContact CG2-CE2 3.41Å; I1712-F1716 HydrophobicContact CG2-CZ 4.21Å; I1712-F1716 WeakPolarHBondContact O-CD2 3.15Å; I1712-F1716 PolarHBondContact O-N 3.1Å
1713V87.5Confident84.2Confident51 Ų5139.6 Ų39.631%0.30920%0.195SC..Hα-helixtrans-63-42172.8170.70000110.6F1619 L1709 W1710 F1716 S1717F1619-V1713 HydrophobicContact CD1-CG1 3.69Å; F1619-V1713 HydrophobicContact CD2-CG1 4.36Å; F1619-V1713 HydrophobicContact CE1-CG1 3.62Å; F1619-V1713 HydrophobicContact CE2-CG1 4.29Å; F1619-V1713 HydrophobicContact CG-CG1 4.08Å; F1619-V1713 HydrophobicContact CZ-CG1 3.94Å; L1709-V1713 HydrophobicContact CD2-CG2 4.37Å; L1709-V1713 WeakPolarHBondContact O-CG2 3.2Å; L1709-V1713 PolarHBondContact O-N 3.41Å; W1710-V1713 PolarHBondContact O-N 2.94Å; V1713-F1716 PolarHBondContact O-N 3.47Å; V1713-S1717 WeakPolarHBondContact O-CB 3.46Å; V1713-S1717 PolarHBondContact O-N 3.39Å
1714L90.9Very high84.5Confident0 Ų038.3 Ų38.30%019%0.189CC..Hα-helixtrans-63.1-44.1172.8176.758.4000111.6C1616 F1619 A1620 L1635 T1662 W1710 D1711 I1712 F1716 S1717 L1718C1616-L1714 WeakPolarHBondContact O-CD1 3.48Å; F1619-L1714 HydrophobicContact CB-CB 4.18Å; F1619-L1714 HydrophobicContact CB-CD1 3.91Å; A1620-L1714 HydrophobicContact CB-CD1 4.37Å; A1620-L1714 HydrophobicContact CB-CD2 4.34Å; L1635-L1714 HydrophobicContact CD1-CD2 3.97Å; L1635-L1714 HydrophobicContact CD2-CD2 4.44Å; T1662-L1714 HydrophobicContact CG2-CD2 3.59Å; T1662-L1714 HydrophobicContact CG2-CG 4.02Å; W1710-L1714 WeakPolarHBondContact O-CB 3.49Å; W1710-L1714 PolarHBondContact O-N 3.26Å; D1711-L1714 PolarHBondContact O-N 3.12Å; I1712-L1714 VanDerWaalsContact C-N 3.33Å; L1714-F1716 PolarHBondContact O-N 2.93Å; L1714-S1717 WeakPolarHBondContact O-CB 3.4Å; L1714-S1717 PolarHBondContact O-N 3.3Å; L1714-L1718 HydrophobicContact CD1-CD1 4.11Å; L1714-L1718 HydrophobicContact CD1-CG 4.14Å; L1714-L1718 HydrophobicContact CG-CD1 3.99Å; L1714-L1718 HydrophobicContact CG-CG 4.49Å; L1714-L1718 WeakPolarHBondContact O-CB 3.47Å; L1714-L1718 VanDerWaalsContact O-CG 3.28Å; L1714-L1718 WeakPolarHBondContact O-CG 3.34Å; L1714-L1718 PolarHBondContact O-N 2.77Å
1715L90.4Very high84.9Confident1 Ų134.8 Ų34.81%0.00518%0.177CC..Hα-helixtrans-57.6-48176.2-17472.1000111.2L1196 L1199 E1663 I1666 D1711 I1712 L1718 F1719L1196-L1715 HydrophobicContact CD2-CD2 3.82Å; L1199-L1715 HydrophobicContact CD2-CD2 4.39Å; E1663-L1715 HydrophobicContact CG-CD1 3.67Å; I1666-L1715 HydrophobicContact CD1-CB 4.23Å; I1666-L1715 HydrophobicContact CD1-CD2 3.91Å; D1711-L1715 VanDerWaalsContact O-CB 3.31Å; D1711-L1715 WeakPolarHBondContact O-CB 3.49Å; D1711-L1715 PolarHBondContact O-N 3.38Å; I1712-L1715 WeakPolarHBondContact O-CB 3.46Å; I1712-L1715 PolarHBondContact O-N 3.25Å; L1715-L1718 WeakPolarHBondContact O-CB 3.4Å; L1715-L1718 PolarHBondContact O-N 3.13Å; L1715-F1719 HydrophobicContact CD1-CD2 4.01Å; L1715-F1719 HydrophobicContact CD1-CE2 3.82Å; L1715-F1719 HydrophobicContact CG-CD2 4.05Å; L1715-F1719 HydrophobicContact CG-CE2 4.22Å; L1715-F1719 WeakPolarHBondContact O-CD2 3.47Å; L1715-F1719 PolarHBondContact O-N 3.34Å
1716F87.3Confident85.2Confident52 Ų5232.4 Ų32.423%0.22816%0.159CC..Hα-helixtrans-70.7-31.7177.5-66.4-42.7000113.2M1174 L1177 L1199 I1712 V1713 L1714 F1719 F1720M1174-F1716 HydrophobicContact CE-CD1 3.83Å; M1174-F1716 HydrophobicContact CE-CE1 3.25Å; M1174-F1716 HydrophobicContact CE-CE2 4.26Å; M1174-F1716 HydrophobicContact CE-CZ 3.48Å; M1174-F1716 VanDerWaalsContact CE-CZ 3.48Å; M1174-F1716 HydrophobicContact SD-CD1 3.86Å; M1174-F1716 HydrophobicContact SD-CD2 3.85Å; M1174-F1716 HydrophobicContact SD-CE1 3.59Å; M1174-F1716 VanDerWaalsContact SD-CE1 3.59Å; M1174-F1716 HydrophobicContact SD-CE2 3.53Å; M1174-F1716 VanDerWaalsContact SD-CE2 3.53Å; M1174-F1716 HydrophobicContact SD-CG 4Å; M1174-F1716 HydrophobicContact SD-CZ 3.38Å; M1174-F1716 WeakPolarHBondContact SD-CZ 3.12Å; L1177-F1716 HydrophobicContact CD2-CE1 4.21Å; L1177-F1716 HydrophobicContact CD2-CE2 4.04Å; L1177-F1716 HydrophobicContact CD2-CZ 3.41Å; L1177-F1716 VanDerWaalsContact CD2-CZ 3.41Å; L1199-F1716 HydrophobicContact CD1-CE1 4.17Å; L1199-F1716 HydrophobicContact CD2-CD1 4.3Å; L1199-F1716 HydrophobicContact CD2-CE1 3.94Å; I1712-F1716 HydrophobicContact CG2-CD2 3.77Å; I1712-F1716 HydrophobicContact CG2-CE2 3.41Å; I1712-F1716 VanDerWaalsContact CG2-CE2 3.41Å; I1712-F1716 HydrophobicContact CG2-CZ 4.21Å; I1712-F1716 WeakPolarHBondContact O-CD2 3.15Å; I1712-F1716 PolarHBondContact O-N 3.1Å; V1713-F1716 PolarHBondContact O-N 3.47Å; L1714-F1716 PolarHBondContact O-N 2.93Å; F1716-F1719 PolarHBondContact O-N 3.24Å; F1716-F1720 VanDerWaalsContact O-CB 3.24Å; F1716-F1720 WeakPolarHBondContact O-CB 3.28Å; F1716-F1720 PolarHBondContact O-N 3.25Å
1717S88.6Confident85.4Confident13 Ų1331.1 Ų31.19%0.09114%0.143CC..Hα-helixtrans-62.7-44.7170-166.90000111.4F1619 V1713 L1714 F1720 H1721F1619-S1717 WeakPolarHBondContact CD2-OG 3.39Å; V1713-S1717 WeakPolarHBondContact O-CB 3.46Å; V1713-S1717 PolarHBondContact O-N 3.39Å; L1714-S1717 WeakPolarHBondContact O-CB 3.4Å; L1714-S1717 PolarHBondContact O-N 3.3Å; S1717-F1720 PolarHBondContact O-N 3.01Å; S1717-H1721 WeakPolarHBondContact O-CB 3.12Å; S1717-H1721 PolarHBondContact O-N 3.43Å
1718L90.7Very high85.4Confident1 Ų130.7 Ų30.71%0.00514%0.142CC..Hα-helixtrans-63.3-42.9175.2-74.6166.2000112.6C1616 W1655 M1658 I1659 T1662 L1714 L1715 H1721 R1722C1616-L1718 HydrophobicContact CB-CD2 4.41Å; W1655-L1718 HydrophobicContact CE3-CD2 3.75Å; W1655-L1718 HydrophobicContact CZ3-CD2 3.86Å; M1658-L1718 HydrophobicContact CB-CD2 4.33Å; M1658-L1718 HydrophobicContact CE-CD2 3.69Å; M1658-L1718 HydrophobicContact CG-CD1 4.25Å; M1658-L1718 HydrophobicContact CG-CD2 4.2Å; I1659-L1718 HydrophobicContact CD1-CB 4.41Å; I1659-L1718 HydrophobicContact CG1-CB 3.76Å; I1659-L1718 HydrophobicContact CG1-CD1 4.18Å; I1659-L1718 HydrophobicContact CG1-CD2 4.35Å; I1659-L1718 HydrophobicContact CG1-CG 4.34Å; T1662-L1718 HydrophobicContact CG2-CD1 4.11Å; T1662-L1718 WeakPolarHBondContact OG1-CD1 3.32Å; L1714-L1718 HydrophobicContact CD1-CD1 4.11Å; L1714-L1718 HydrophobicContact CD1-CG 4.14Å; L1714-L1718 HydrophobicContact CG-CD1 3.99Å; L1714-L1718 HydrophobicContact CG-CG 4.49Å; L1714-L1718 WeakPolarHBondContact O-CB 3.47Å; L1714-L1718 VanDerWaalsContact O-CG 3.28Å; L1714-L1718 WeakPolarHBondContact O-CG 3.34Å; L1714-L1718 PolarHBondContact O-N 2.77Å; L1715-L1718 WeakPolarHBondContact O-CB 3.4Å; L1715-L1718 PolarHBondContact O-N 3.13Å; L1718-H1721 PolarHBondContact O-N 3.03Å; L1718-R1722 VanDerWaalsContact O-CB 3.25Å; L1718-R1722 WeakPolarHBondContact O-CB 3.42Å; L1718-R1722 PolarHBondContact O-N 2.6Å
1719F88.7Confident85.1Confident8 Ų831 Ų314%0.03515%0.145CC..Hα-helixtrans-68.8-34.6175.4-91.2-82.1000112.5L1199 W1200 I1659 E1663 L1715 F1716 Y1723L1199-F1719 HydrophobicContact CB-CE1 4.47Å; L1199-F1719 HydrophobicContact CB-CZ 4.46Å; L1199-F1719 HydrophobicContact CD2-CD1 4.3Å; L1199-F1719 HydrophobicContact CD2-CD2 3.55Å; L1199-F1719 HydrophobicContact CD2-CE1 4.34Å; L1199-F1719 HydrophobicContact CD2-CE2 3.6Å; L1199-F1719 HydrophobicContact CD2-CG 3.92Å; L1199-F1719 HydrophobicContact CD2-CZ 4Å; L1199-F1719 HydrophobicContact CG-CD1 3.92Å; L1199-F1719 HydrophobicContact CG-CD2 4.11Å; L1199-F1719 HydrophobicContact CG-CE1 3.97Å; L1199-F1719 HydrophobicContact CG-CE2 4.15Å; L1199-F1719 HydrophobicContact CG-CG 3.99Å; L1199-F1719 HydrophobicContact CG-CZ 4.07Å; L1199-F1719 VanDerWaalsContact O-CE1 3.25Å; L1199-F1719 WeakPolarHBondContact O-CE1 3.42Å; W1200-F1719 HydrophobicContact CE3-CZ 4.25Å; I1659-F1719 HydrophobicContact CG2-CE2 3.92Å; I1659-F1719 HydrophobicContact CG2-CZ 4.18Å; E1663-F1719 WeakPolarHBondContact OE1-CE2 3.4Å; E1663-F1719 WeakPolarHBondContact OE1-CZ 3.41Å; L1715-F1719 HydrophobicContact CD1-CD2 4.01Å; L1715-F1719 HydrophobicContact CD1-CE2 3.82Å; L1715-F1719 HydrophobicContact CG-CD2 4.05Å; L1715-F1719 HydrophobicContact CG-CE2 4.22Å; L1715-F1719 WeakPolarHBondContact O-CD2 3.47Å; L1715-F1719 PolarHBondContact O-N 3.34Å; F1716-F1719 PolarHBondContact O-N 3.24Å; F1719-Y1723 WeakPolarHBondContact O-CB 3.37Å; F1719-Y1723 PolarHBondContact O-N 3.25Å
1720F87.3Confident84.8Confident84 Ų8428 Ų2837%0.36813%0.129SC..Hα-helixtrans-67.1-43.5171.9-177.7-112.2000111.8I1608 T1612 F1716 S1717 Y1723 M1724I1608-F1720 HydrophobicContact CG2-CE1 4.3Å; T1612-F1720 HydrophobicContact CG2-CD1 3.64Å; T1612-F1720 HydrophobicContact CG2-CE1 3.43Å; T1612-F1720 VanDerWaalsContact CG2-CE1 3.43Å; F1716-F1720 VanDerWaalsContact O-CB 3.24Å; F1716-F1720 WeakPolarHBondContact O-CB 3.28Å; F1716-F1720 PolarHBondContact O-N 3.25Å; S1717-F1720 PolarHBondContact O-N 3.01Å; F1720-Y1723 HydrophobicContact CD2-CD1 4.13Å; F1720-Y1723 HydrophobicContact CE2-CD1 4.27Å; F1720-Y1723 WeakPolarHBondContact O-CB 3.31Å; F1720-Y1723 PolarHBondContact O-N 2.99Å; F1720-Y1723 VanDerWaalsContact O-N 3.17Å; F1720-M1724 HydrophobicContact CD1-CG 4.44Å; F1720-M1724 HydrophobicContact CE1-CG 4.08Å; F1720-M1724 HydrophobicContact CE2-CG 4.17Å; F1720-M1724 HydrophobicContact CE2-SD 4.31Å; F1720-M1724 HydrophobicContact CZ-CG 3.92Å; F1720-M1724 HydrophobicContact CZ-SD 4.14Å; F1720-M1724 WeakPolarHBondContact O-CG 3.39Å; F1720-M1724 PolarHBondContact O-N 2.87Å
1721H89.5Confident84.4Confident10 Ų1025.4 Ų25.45%0.04612%0.12CC..Hα-helixtrans-61.9-44.8173.2-175.565000111.4T1612 W1655 S1717 L1718 Y1723 M1724 L1725T1612-H1721 WeakPolarHBondContact CB-ND1 3.23Å; T1612-H1721 PolarHBondContact OG1-ND1 3.03Å; W1655-H1721 AromaticContact CD2-CD2 3.6Å; W1655-H1721 AromaticContact CD2-NE2 3.72Å; W1655-H1721 AromaticContact CE2-CD2 3.59Å; W1655-H1721 AromaticContact CE2-NE2 3.19Å; W1655-H1721 AromaticContact CE3-CD2 3.63Å; W1655-H1721 AromaticContact CH2-CD2 3.73Å; W1655-H1721 AromaticContact CH2-NE2 3.67Å; W1655-H1721 AromaticContact CZ2-CD2 3.68Å; W1655-H1721 AromaticContact CZ2-NE2 3.18Å; W1655-H1721 WeakPolarHBondContact CZ2-NE2 3.47Å; W1655-H1721 AromaticContact CZ3-CD2 3.69Å; W1655-H1721 AromaticContact NE1-NE2 3.6Å; S1717-H1721 WeakPolarHBondContact O-CB 3.12Å; S1717-H1721 PolarHBondContact O-N 3.43Å; L1718-H1721 PolarHBondContact O-N 3.03Å; H1721-Y1723 VanDerWaalsContact C-N 3.3Å; H1721-Y1723 PolarHBondContact O-N 3.36Å; H1721-M1724 PolarHBondContact O-N 3.13Å; H1721-L1725 VanDerWaalsContact NE2-CD1 3.3Å; H1721-L1725 WeakPolarHBondContact NE2-CD1 3.48Å; H1721-L1725 WeakPolarHBondContact O-CB 3.49Å; H1721-L1725 WeakPolarHBondContact O-CG 3.16Å; H1721-L1725 PolarHBondContact O-N 3.1Å
1722R88.2Confident83.5Confident11 Ų1132.6 Ų32.64%0.04215%0.151CC..Hα-helixtrans-58.2-37.1171.3169.1175.8164.1157.7-4.5112.6W1200 I1659 L1718 R1726 W1731W1200-R1722 PolarHBondContact O-NH2 3.5Å; I1659-R1722 HydrophobicContact CD1-CB 4.34Å; L1718-R1722 VanDerWaalsContact O-CB 3.25Å; L1718-R1722 WeakPolarHBondContact O-CB 3.42Å; L1718-R1722 PolarHBondContact O-N 2.6Å; R1722-R1726 WeakPolarHBondContact O-CB 3.21Å; R1722-R1726 VanDerWaalsContact O-CG 3.23Å; R1722-R1726 WeakPolarHBondContact O-CG 3.47Å; R1722-R1726 PolarHBondContact O-N 2.73Å; R1722-R1726 VanDerWaalsContact O-N 3.13Å; R1722-W1731 HydrophobicContact CB-CE3 4.41Å; R1722-W1731 HydrophobicContact CB-CH2 4.36Å; R1722-W1731 HydrophobicContact CB-CZ3 3.95Å; R1722-W1731 HydrophobicContact CG-CE3 4.3Å; R1722-W1731 HydrophobicContact CG-CH2 4.06Å; R1722-W1731 HydrophobicContact CG-CZ2 4.4Å; R1722-W1731 HydrophobicContact CG-CZ3 4Å
1723Y85.2Confident82Confident23 Ų2337 Ų379%0.0918%0.175CC..Hα-helixtrans-68.4-48.1173.2165.4-125.7000111.6N1203 F1719 F1720 H1721 R1726 K1727N1203-Y1723 WeakPolarHBondContact ND2-CE2 3.34Å; F1719-Y1723 WeakPolarHBondContact O-CB 3.37Å; F1719-Y1723 PolarHBondContact O-N 3.25Å; F1720-Y1723 HydrophobicContact CD2-CD1 4.13Å; F1720-Y1723 HydrophobicContact CE2-CD1 4.27Å; F1720-Y1723 WeakPolarHBondContact O-CB 3.31Å; F1720-Y1723 PolarHBondContact O-N 2.99Å; F1720-Y1723 VanDerWaalsContact O-N 3.17Å; H1721-Y1723 VanDerWaalsContact C-N 3.3Å; H1721-Y1723 PolarHBondContact O-N 3.36Å; Y1723-R1726 PolarHBondContact O-N 3.15Å; Y1723-R1726 VanDerWaalsContact O-N 3.1Å; Y1723-K1727 HydrophobicContact CE2-CB 4.4Å; Y1723-K1727 HydrophobicContact CE2-CD 4.15Å; Y1723-K1727 WeakPolarHBondContact O-CB 3.44Å; Y1723-K1727 PolarHBondContact O-N 3.21Å; Y1723-K1727 PolarHBondContact OH-NZ 3.13Å; Y1723-K1727 VanDerWaalsContact OH-NZ 3.08Å
1724M84.4Confident80.4Confident19 Ų1936 Ų369%0.09417%0.171CC..Hα-helixtrans-62.9-44.6178.1-68.9-59.3-66.100112.2H1530 T1612 F1720 H1721 R1726 K1727 L1728H1530-M1724 WeakPolarHBondContact NE2-CE 3.27Å; T1612-M1724 HydrophobicContact CG2-CG 4.16Å; F1720-M1724 HydrophobicContact CD1-CG 4.44Å; F1720-M1724 HydrophobicContact CE1-CG 4.08Å; F1720-M1724 HydrophobicContact CE2-CG 4.17Å; F1720-M1724 HydrophobicContact CE2-SD 4.31Å; F1720-M1724 HydrophobicContact CZ-CG 3.92Å; F1720-M1724 HydrophobicContact CZ-SD 4.14Å; F1720-M1724 WeakPolarHBondContact O-CG 3.39Å; F1720-M1724 PolarHBondContact O-N 2.87Å; H1721-M1724 PolarHBondContact O-N 3.13Å; M1724-R1726 PolarHBondContact O-N 3.27Å; M1724-K1727 PolarHBondContact O-N 3.5Å; M1724-L1728 WeakPolarHBondContact O-CB 3.42Å; M1724-L1728 WeakPolarHBondContact O-CG 3.38Å; M1724-L1728 PolarHBondContact O-N 2.74Å
1725L81.6Confident78.7Confident23 Ų2343.1 Ų43.112%0.1221%0.209CC..Hα-helixtrans-60.7-30.6172.4-72.1-176.1000112.6H1721 G1729 L1730 W1731H1721-L1725 VanDerWaalsContact NE2-CD1 3.3Å; H1721-L1725 WeakPolarHBondContact NE2-CD1 3.48Å; H1721-L1725 WeakPolarHBondContact O-CB 3.49Å; H1721-L1725 WeakPolarHBondContact O-CG 3.16Å; H1721-L1725 PolarHBondContact O-N 3.1Å; L1725-G1729 CarbonylContact O-C 3.56Å; L1725-G1729 VanDerWaalsContact O-C 3.32Å; L1725-G1729 WeakPolarHBondContact O-CA 3.49Å; L1725-G1729 PolarHBondContact O-N 3.14Å; L1725-G1729 VanDerWaalsContact O-N 3.11Å; L1725-L1730 HydrophobicContact CB-CB 4.46Å; L1725-L1730 HydrophobicContact CD2-CB 3.62Å; L1725-L1730 HydrophobicContact CD2-CD1 3.95Å; L1725-L1730 HydrophobicContact CD2-CG 4.45Å; L1725-L1730 PolarHBondContact O-N 3.16Å; L1725-W1731 HydrophobicContact CB-CB 4.12Å; L1725-W1731 HydrophobicContact CB-CE3 4.02Å; L1725-W1731 HydrophobicContact CD1-CE3 3.74Å; L1725-W1731 HydrophobicContact CD1-CZ3 4.12Å; L1725-W1731 PolarHBondContact O-N 3.46Å
1726R80Confident76.9Confident77 Ų7748 Ų4829%0.29124%0.235SC..Hα-helixtrans-78-40.7173.8-77.4177.1-177.8-163.35.9112.2R1722 Y1723 M1724 L1728 G1729 W1731R1722-R1726 WeakPolarHBondContact O-CB 3.21Å; R1722-R1726 VanDerWaalsContact O-CG 3.23Å; R1722-R1726 WeakPolarHBondContact O-CG 3.47Å; R1722-R1726 PolarHBondContact O-N 2.73Å; R1722-R1726 VanDerWaalsContact O-N 3.13Å; Y1723-R1726 PolarHBondContact O-N 3.15Å; Y1723-R1726 VanDerWaalsContact O-N 3.1Å; M1724-R1726 PolarHBondContact O-N 3.27Å; R1726-L1728 VanDerWaalsContact C-N 3.33Å; R1726-L1728 PolarHBondContact O-N 3.07Å; R1726-G1729 WeakPolarHBondContact O-CA 3.49Å; R1726-G1729 PolarHBondContact O-N 3.11Å; R1726-W1731 HydrophobicContact CG-CB 3.78Å; R1726-W1731 HydrophobicContact CG-CD2 4.39Å; R1726-W1731 HydrophobicContact CG-CG 3.79Å
1727K78.4Confident75.2Confident56 Ų5650.7 Ų50.724%0.24326%0.255CS..Hα-helixtrans-64.2-35.6178.6-176.8166.7-171.2152.80113.1E1330 Y1723 M1724E1330-K1727 WeakPolarHBondContact OE1-CE 3.29Å; E1330-K1727 IonicContact OE1-NZ 2.71Å; E1330-K1727 PolarHBondContact OE1-NZ 3.07Å; Y1723-K1727 HydrophobicContact CE2-CB 4.4Å; Y1723-K1727 HydrophobicContact CE2-CD 4.15Å; Y1723-K1727 WeakPolarHBondContact O-CB 3.44Å; Y1723-K1727 PolarHBondContact O-N 3.21Å; Y1723-K1727 PolarHBondContact OH-NZ 3.13Å; Y1723-K1727 VanDerWaalsContact OH-NZ 3.08Å; M1724-K1727 PolarHBondContact O-N 3.5Å
1728L76.3Confident73.5Confident22 Ų2254.9 Ų54.912%0.11528%0.277CS..THydrogen-bonded Turntrans-90.3-2.4171.4-57.4171.3000112.6G1337 A1338 V1533 L1537 M1724 R1726 L1730G1337-L1728 CarbonylContact C-O 3.58Å; G1337-L1728 WeakPolarHBondContact CA-O 3.33Å; A1338-L1728 PolarHBondContact N-O 3.28Å; V1533-L1728 HydrophobicContact CG1-CD2 3.95Å; L1537-L1728 HydrophobicContact CD1-CD2 4.09Å; M1724-L1728 WeakPolarHBondContact O-CB 3.42Å; M1724-L1728 WeakPolarHBondContact O-CG 3.38Å; M1724-L1728 PolarHBondContact O-N 2.74Å; R1726-L1728 VanDerWaalsContact C-N 3.33Å; R1726-L1728 PolarHBondContact O-N 3.07Å; L1728-L1730 HydrophobicContact CB-CD1 3.87Å; L1728-L1730 HydrophobicContact CB-CG 4.07Å; L1728-L1730 HydrophobicContact CD1-CD1 4Å; L1728-L1730 PolarHBondContact O-N 2.97Å; L1728-L1730 VanDerWaalsContact O-N 3.11Å
1729G71.7Confident72Confident8 Ų856 Ų568%0.08228%0.284CS..THydrogen-bonded Turntrans60.713.5-177.700000117.3A1334 L1725 R1726 W1731A1334-G1729 VanDerWaalsContact O-CA 3.23Å; A1334-G1729 WeakPolarHBondContact O-CA 3.38Å; L1725-G1729 CarbonylContact O-C 3.56Å; L1725-G1729 VanDerWaalsContact O-C 3.32Å; L1725-G1729 WeakPolarHBondContact O-CA 3.49Å; L1725-G1729 PolarHBondContact O-N 3.14Å; L1725-G1729 VanDerWaalsContact O-N 3.11Å; R1726-G1729 WeakPolarHBondContact O-CA 3.49Å; R1726-G1729 PolarHBondContact O-N 3.11Å; G1729-W1731 PolarHBondContact O-N 3.3Å
1730L74.8Confident70.6Confident26 Ų2657.6 Ų57.614%0.13629%0.291CS..THydrogen-bonded Turntrans-65.2-17172.4-63.4163.7000112.9A1338 R1649 L1725 L1728 K1732A1338-L1730 HydrophobicContact CB-CD2 3.81Å; R1649-L1730 VanDerWaalsContact CZ-O 3.25Å; R1649-L1730 PolarHBondContact NH1-O 3.48Å; R1649-L1730 PolarHBondContact NH2-O 3.12Å; L1725-L1730 HydrophobicContact CB-CB 4.46Å; L1725-L1730 HydrophobicContact CD2-CB 3.62Å; L1725-L1730 HydrophobicContact CD2-CD1 3.95Å; L1725-L1730 HydrophobicContact CD2-CG 4.45Å; L1725-L1730 PolarHBondContact O-N 3.16Å; L1728-L1730 HydrophobicContact CB-CD1 3.87Å; L1728-L1730 HydrophobicContact CB-CG 4.07Å; L1728-L1730 HydrophobicContact CD1-CD1 4Å; L1728-L1730 PolarHBondContact O-N 2.97Å; L1728-L1730 VanDerWaalsContact O-N 3.11Å; L1730-K1732 PolarHBondContact O-N 3.34Å
1731W77Confident69Low32 Ų3259.3 Ų59.312%0.12131%0.308CS..THydrogen-bonded Turntrans-65.7-14.1-177-174.1-97.2000115.5K1652 W1655 V1656 R1722 L1725 R1726 G1729K1652-W1731 HydrophobicContact CG-CZ2 4.28Å; W1655-W1731 HydrophobicContact CB-CH2 4.19Å; W1655-W1731 HydrophobicContact CB-CZ3 3.99Å; V1656-W1731 HydrophobicContact CG2-CH2 3.93Å; V1656-W1731 HydrophobicContact CG2-CZ2 3.75Å; R1722-W1731 HydrophobicContact CB-CE3 4.41Å; R1722-W1731 HydrophobicContact CB-CH2 4.36Å; R1722-W1731 HydrophobicContact CB-CZ3 3.95Å; R1722-W1731 HydrophobicContact CG-CE3 4.3Å; R1722-W1731 HydrophobicContact CG-CH2 4.06Å; R1722-W1731 HydrophobicContact CG-CZ2 4.4Å; R1722-W1731 HydrophobicContact CG-CZ3 4Å; L1725-W1731 HydrophobicContact CB-CB 4.12Å; L1725-W1731 HydrophobicContact CB-CE3 4.02Å; L1725-W1731 HydrophobicContact CD1-CE3 3.74Å; L1725-W1731 HydrophobicContact CD1-CZ3 4.12Å; L1725-W1731 PolarHBondContact O-N 3.46Å; R1726-W1731 HydrophobicContact CG-CB 3.78Å; R1726-W1731 HydrophobicContact CG-CD2 4.39Å; R1726-W1731 HydrophobicContact CG-CG 3.79Å; G1729-W1731 PolarHBondContact O-N 3.3Å
1732K67.8Low66.6Low152 Ų15267.3 Ų67.366%0.66135%0.351SS*.SBendtrans-115151.6164.8-74.3-171.8175.8-173.10108.8R1649 L1730 A1734R1649-K1732 PolarHBondContact NH2-O 3.15Å; L1730-K1732 PolarHBondContact O-N 3.34Å; K1732-A1734 PolarHBondContact O-N 3.06Å
1733D56.8Low64Low109 Ų10975.9 Ų75.958%0.58339%0.388SS*.  trans-76.6113.1172.1-56.1-60.2000108.5R1649R1649-D1733 IonicContact CZ-OD1 3.42Å; R1649-D1733 IonicContact NE-OD1 2.77Å; R1649-D1733 IonicContact NH2-OD1 3.34Å; R1649-D1733 PolarHBondContact NH2-OD1 3.38Å
1734A54Low61.5Low28 Ų2883.9 Ų83.923%0.23143%0.426CS..  trans-72133.5164.700000107A1338 K1732 L1736A1338-A1734 HydrophobicContact CB-CB 4.5Å; K1732-A1734 PolarHBondContact O-N 3.06Å; A1734-L1736 PolarHBondContact O-N 3.35Å
1735N53.4Low58.9Low150 Ų15091.5 Ų91.580%0.80246%0.461SS*.  trans-61.2131.1-176.5-144.311000109.3T1737N1735-T1737 PolarHBondContact O-N 3.27Å; N1735-T1737 PolarHBondContact O-OG1 3Å
1736L53.1Low56.4Low105 Ų10596 Ų9655%0.5549%0.492SS..  trans-81.645-164.1-75.3160.5000113.6A1734A1734-L1736 PolarHBondContact O-N 3.35Å
1737T52.8Low54Low107 Ų107104.3 Ų104.366%0.65652%0.524SS*.  trans-70.7145.416752.90000110.4N1735N1735-T1737 PolarHBondContact O-N 3.27Å; N1735-T1737 PolarHBondContact O-OG1 3Å
1738D51.4Low51.9Low102 Ų102106.8 Ų106.855%0.54555%0.548SS..  trans-61.1138.5-172.3-56.9-46.1000112.7K1822D1738-K1822 IonicContact OD1-NZ 3.94Å; D1738-K1822 PolarHBondContact OD1-NZ 2.86Å
1739T59.9Low49.7Very low23 Ų23110 Ų11014%0.14158%0.578CS.*SBendtrans-90.1-14.5-155.2-3.60000114.6V1339 N1342 Q1343 E1346V1339-T1739 HydrophobicContact CG1-CG2 4.16Å; N1342-T1739 HydrophobicContact CB-CG2 3.79Å; Q1343-T1739 HydrophobicContact CG-CG2 3.67Å; Q1343-T1739 PolarHBondContact NE2-O 3.45Å; E1346-T1739 VanDerWaalsContact OE2-CB 3.31Å; E1346-T1739 WeakPolarHBondContact OE2-CB 3.34Å; E1346-T1739 PolarHBondContact OE2-N 3.01Å; E1346-T1739 PolarHBondContact OE2-OG1 2.95Å
1740F59.1Low47.9Very low43 Ų43116 Ų11619%0.18962%0.618CS.*SBendtrans-112117.2164.6-60.1-81000107.8Q1343 E1346 L1742Q1343-F1740 HydrophobicContact CB-CE1 4.28Å; Q1343-F1740 HydrophobicContact CB-CE2 4.09Å; Q1343-F1740 HydrophobicContact CB-CZ 3.68Å; Q1343-F1740 HydrophobicContact CG-CE1 4.11Å; Q1343-F1740 HydrophobicContact CG-CE2 4.2Å; Q1343-F1740 HydrophobicContact CG-CZ 3.91Å; Q1343-F1740 WeakPolarHBondContact O-CE2 3.48Å; E1346-F1740 HydrophobicContact CB-CE2 4.27Å; F1740-L1742 PolarHBondContact O-N 2.94Å
1741T53.8Low45.9Very low120 Ų120117.6 Ų117.674%0.73664%0.641SS**  trans-64.7121.1175.852.20000109.4K1743T1741-K1743 PolarHBondContact O-N 3.4Å
1742L39.8Very low43.7Very low178 Ų178120.9 Ų120.993%0.93267%0.669SS**  trans-54.2110.8173.8-77168.1000109.9F1740F1740-L1742 PolarHBondContact O-N 2.94Å
1743K32.2Very low42Very low191 Ų191120.5 Ų120.583%0.8367%0.674SS**  trans-13726.5178.2-114.9-174.4179.5-176.60112.4T1741T1741-K1743 PolarHBondContact O-N 3.4Å
1744E32.9Very low40.8Very low191 Ų191122.5 Ų122.589%0.89369%0.691SS**  trans-123.853174.6-64.2-169.914500110.3
1745E29.6Very low39.6Very low178 Ų178124.2 Ų124.283%0.83271%0.711SS**SBendtrans-79.9141151.6-78-169.8149.600109.2R1747E1745-R1747 PolarHBondContact O-N 3.03Å
1746P29.7Very low38.4Very low118 Ų118123 Ų12377%0.76671%0.714SS**  trans-75.5113.7-16528.9-35.3000112.4S1748P1746-S1748 PolarHBondContact O-N 3.13Å
1747R28.9Very low37.3Very low252 Ų252123.8 Ų123.895%0.95173%0.725SS**  trans-90.380.8173.5-77-172.5167.8-167.2-6.5112.7E1745E1745-R1747 PolarHBondContact O-N 3.03Å
1748S34.2Very low36.2Very low107 Ų107128.3 Ų128.375%0.74874%0.736SS**  trans-76.9133.8157.237.60000111P1746P1746-S1748 PolarHBondContact O-N 3.13Å
1749A31.3Very low35Very low91 Ų91132.7 Ų132.775%0.75275%0.75SS**SBendtrans24.9128.5161.200000121.9
1750S33.8Very low33.5Very low132 Ų132140 Ų14092%0.92379%0.787SS**  trans68.3158.516477.70000116.8
1751G32.2Very low31.9Very low60 Ų60141.6 Ų141.662%0.61981%0.807SS**  cis174.9146-9.300000111.6
1752S31.3Very low30.6Very low102 Ų102144.8 Ų144.871%0.71381%0.814SS**  trans42.9107.3166.358.10000120.1
1753D31.9Very low29.9Very low144 Ų144141.9 Ų141.977%0.7780%0.796SS**  70.6141.1121.6-51-36.7000123.6
1754T31.3Very low29.7Very low151 Ų151139.1 Ų139.193%0.92680%0.797SS**  trans68.3145.7168.372.90000117.5
1755G29Very low29.3Very low63 Ų63136 Ų13665%0.64978%0.781SS**  cis168.2154.2-11.300000114.8
1756S28.1Very low29.1Very low126 Ų126134.3 Ų134.388%0.88178%0.782SS**  trans74.7154.2171.983.80000118.5
1757P30.8Very low29Very low120 Ų120133 Ų13378%0.77977%0.772SS**  trans-134.1143.4-159.237.8-18.2000117.2
1758K28.6Very low28.8Very low203 Ų203127.4 Ų127.488%0.88377%0.766SS**  trans-149.5120.5158.4-93.1149.3-175.1176.60107.7
1759K26.5Very low28.5Very low193 Ų193127.2 Ų127.284%0.83976%0.76SS**  72.36664.5-75.9-163.2171.8-175.80115.4
1760I29.3Very low28.2Very low178 Ų178131.2 Ų131.291%0.91376%0.763SS**  trans-132.9105.9139-52.9176.9000104.4
1761A25.8Very low27.9Very low75 Ų75129.9 Ų129.962%0.6275%0.753SS**  cis8564.11700000116.5
1762Q25.8Very low27.7Very low188 Ų188134 Ų13488%0.87976%0.762SS**  trans-164.4164.1131.8-105.5159.319.500112.1
1763E24.1Very low27.7Very low117 Ų117135.1 Ų135.155%0.54776%0.764SS.*  trans-95.1148.1-170.4-41126.7110.100112.2K1765E1763-K1765 HydrophobicContact CB-CB 4.04Å; E1763-K1765 PolarHBondContact O-N 3.42Å; E1763-K1765 IonicContact OE1-NZ 2.71Å; E1763-K1765 PolarHBondContact OE1-NZ 2.89Å; E1763-K1765 IonicContact OE2-NZ 2.65Å; E1763-K1765 PolarHBondContact OE2-NZ 2.89Å
1764P28.2Very low27.6Very low132 Ų132134.8 Ų134.886%0.85776%0.761SS**  trans-73.769.9148.533.1-31.7000108.5V1766P1764-V1766 PolarHBondContact O-N 3.32Å
1765K24.9Very low27.5Very low126 Ų126136.5 Ų136.555%0.54876%0.759SS.*  trans-60.5116.8-173.6-152.8-178.4-159.881.40109.3E1763 V1767E1763-K1765 HydrophobicContact CB-CB 4.04Å; E1763-K1765 PolarHBondContact O-N 3.42Å; E1763-K1765 IonicContact OE1-NZ 2.71Å; E1763-K1765 PolarHBondContact OE1-NZ 2.89Å; E1763-K1765 IonicContact OE2-NZ 2.65Å; E1763-K1765 PolarHBondContact OE2-NZ 2.89Å; K1765-V1767 HydrophobicContact CB-CG2 3.94Å; K1765-V1767 HydrophobicContact CD-CG2 3.73Å; K1765-V1767 HydrophobicContact CG-CG2 3.77Å; K1765-V1767 PolarHBondContact O-N 3.19Å
1766V26.1Very low27.5Very low143 Ų143136.8 Ų136.887%0.86776%0.762SS**  trans-77.572.4176.5-173.60000109.3P1764P1764-V1766 PolarHBondContact O-N 3.32Å
1767V26.6Very low27.5Very low91 Ų91137 Ų13755%0.55276%0.758SS**  trans-73.8142.7178.4179.30000110.1K1765K1765-V1767 HydrophobicContact CB-CG2 3.94Å; K1765-V1767 HydrophobicContact CD-CG2 3.73Å; K1765-V1767 HydrophobicContact CG-CG2 3.77Å; K1765-V1767 PolarHBondContact O-N 3.19Å
1768V25.3Very low27.4Very low134 Ų134136.8 Ų136.881%0.81276%0.76SS**  trans-113.492.6176.1179.80000109.4
1769T27Very low27.3Very low103 Ų103130.8 Ų130.863%0.63276%0.756SS**  trans-153.5122166.337.80000105.8
1770Q25.8Very low27.5Very low175 Ų175125.3 Ų125.382%0.81875%0.754SS**  73.8132.564.6-72.5-169.6-54.800114.2
1771S27.3Very low27.2Very low103 Ų103125 Ų12572%0.7275%0.748SS**  trans53.9105.5168.353.90000119.5
1772D27.6Very low27.4Very low148 Ų148129.7 Ų129.779%0.79176%0.762SS**  43.3159.8115.4-51-38.2000123.4
1773T30.8Very low27.5Very low125 Ų125125.4 Ų125.477%0.76775%0.748SS**  trans81.7111165.359.40000120.3
1774L31.1Very low27.7Very low136 Ų136126.9 Ų126.971%0.71276%0.758SS**  57.7126.8126-65.6160.6000121.8
1775E29.1Very low27.7Very low187 Ų187125.8 Ų125.887%0.87475%0.751SS**  43.5136.1129.5-61174.1178.200121.4
1776G29.4Very low27.9Very low70 Ų70124.6 Ų124.672%0.72276%0.759SS**  trans151.266.1157.200000118.9
1777T28.2Very low28.4Very low129 Ų129125.5 Ų125.579%0.79176%0.759SS**  trans46.1126.9136.6-26.30000122.2
1778S27.6Very low28.5Very low116 Ų116125.7 Ų125.781%0.81176%0.762SS**  trans63.3132.714659.30000122.8
1779G27.8Very low28.6Very low78 Ų78126.6 Ų126.680%0.80476%0.762SS**  trans146.3107.514600000116.9
1780G29.5Very low28.7Very low77 Ų77125.6 Ų125.679%0.79476%0.764SS**  trans71.5105.6165.300000115.5
1781E23.9Very low28.8Very low171 Ų171123.9 Ų123.980%0.79977%0.765SS**  cis69.598.443.9-159.1-176.5-179.400114.8V1783E1781-V1783 HydrophobicContact CG-CG2 3.71Å
1782I29.9Very low29Very low175 Ų175123.1 Ų123.190%0.89776%0.76SS**  trans-136.8133.6145.8-60-176.3000106.3
1783V27.1Very low29Very low98 Ų98122.8 Ų122.859%0.59476%0.758SS**  trans-143.5171.6-166.2-169.20000109.1E1781E1781-V1783 HydrophobicContact CG-CG2 3.71Å
1784I28.5Very low29Very low148 Ų148125 Ų12576%0.75976%0.762SS**  trans77.5149.8166.2-42.2157000114.5
1785P28.7Very low29.2Very low109 Ų109127.5 Ų127.571%0.70877%0.77SS**  cis-110174.8-2725.2-5.4000111.9
1786S27.8Very low29.1Very low101 Ų101127.8 Ų127.871%0.70677%0.771SS**  cis79.578.110.183.30000119.2
1787D37Very low29.3Very low162 Ų162132.5 Ų132.587%0.86678%0.779SS**  trans62.4168.6154.3-89.816.1000118.6
1788P28.9Very low29.5Very low95 Ų95134.1 Ų134.162%0.61778%0.783SS**  cis-134.9-175.716.540.7-21.5000117.5
1789N27.9Very low29.6Very low152 Ų152134.7 Ų134.781%0.81379%0.785SS**  trans84.9130.5170.3-49.2-50.2000116
1790A28.6Very low29.9Very low82 Ų82138.9 Ų138.968%0.67878%0.784SS**  cis-166145.5-6.100000113
1791V28Very low30.5Very low139 Ų139140.4 Ų140.484%0.84278%0.78SS**  trans63.1126.6138.5170.70000118.2
1792S30.9Very low31.3Very low87 Ų87138.2 Ų138.261%0.60878%0.781SS**  cis-173.4151.63.251.90000115.7
1793N29.3Very low31.6Very low141 Ų141136.2 Ų136.275%0.75477%0.77SS**  trans79.8137.7145.7-62.7-3.5000122.9
1794M30.1Very low32.5Very low173 Ų173137 Ų13785%0.85278%0.777SS**  trans71.6124163.5-64.9178.5-57.200117.5
1795E34.2Very low33.3Very low188 Ų188135.7 Ų135.788%0.87977%0.768SS**  cis-141.4151.5-10.4-87.7179141.300108.7
1796E27.2Very low34.2Very low193 Ų193139.7 Ų139.790%0.90277%0.774SS**  trans-95.3148.3-175.3-64.5173.1129.300112.5
1797L34.9Very low35.1Very low169 Ų169144.4 Ų144.489%0.88579%0.785SS**  trans-145.3128162.5-153.689.4000109.5
1798D31.4Very low36.1Very low162 Ų162140.1 Ų140.187%0.86677%0.768SS**  trans-63.9133.2-166.9-61.6-73.2000114.8
1799C29.8Very low38.2Very low128 Ų128137.8 Ų137.887%0.86576%0.761SS**  trans-144.5124.2157.9-86.90000108.8
1800E33.7Very low40.5Very low166 Ų166136.1 Ų136.178%0.77676%0.758SS**  trans-61.7152.1-173.3-68.4-179.2107.200113.5
1801P43.3Very low42.7Very low109 Ų109138.3 Ų138.371%0.70876%0.757SS**  trans-58144.7167.727-35.3000110.5I1803P1801-I1803 PolarHBondContact O-N 3.01Å
1802P41Very low45.1Very low126 Ų126132.9 Ų132.982%0.81873%0.73SS**  trans-62.6110.2-17525-34.1000110.9
1803I36.4Very low47.3Very low133 Ų133135.3 Ų135.368%0.68273%0.725SS**  trans-49.8126.9173.2-58.4170.8000107.9P1801 E1805P1801-I1803 PolarHBondContact O-N 3.01Å; I1803-E1805 PolarHBondContact O-N 3.41Å
1804P44.6Very low49.6Very low113 Ų113131.1 Ų131.173%0.73470%0.701SS**  trans-55.4128.1-175.221-33.2000110.5K1806P1804-K1806 PolarHBondContact O-N 2.68Å
1805E46Very low52Low122 Ų122126 Ų12657%0.5768%0.676SS**  trans-50.296.9-172.1-84.1-160.5133.600110.9I1803 Q1807 R1813 H1816I1803-E1805 PolarHBondContact O-N 3.41Å; E1805-Q1807 PolarHBondContact O-N 2.88Å; E1805-Q1807 VanDerWaalsContact O-N 3.11Å; E1805-R1813 IonicContact OE2-NH2 2.83Å; E1805-H1816 IonicContact OE1-CE1 2.67Å; E1805-H1816 PolarHBondContact OE1-CE1 3.2Å; E1805-H1816 IonicContact OE1-ND1 3.42Å; E1805-H1816 PolarHBondContact OE1-ND1 2.77Å
1806K47.8Very low54.2Low193 Ų193121.2 Ų121.284%0.83965%0.654SS**  trans-56.8117.9179.4-173.2176.7-172.7174.10107.9P1804 S1808P1804-K1806 PolarHBondContact O-N 2.68Å; K1806-S1808 WeakPolarHBondContact O-CA 3.22Å; K1806-S1808 PolarHBondContact O-N 2.85Å
1807Q46.3Very low56.6Low200 Ų200117.1 Ų117.194%0.93563%0.634SS**  trans-43.194.1-164.6-75.3-173.7-10.900112.9E1805E1805-Q1807 PolarHBondContact O-N 2.88Å; E1805-Q1807 VanDerWaalsContact O-N 3.11Å
1808S57.6Low58.7Low72 Ų72109.6 Ų109.650%0.50360%0.595SS.*  trans-91.1131.3-172.3-1670000108.5K1806 G1812K1806-S1808 WeakPolarHBondContact O-CA 3.22Å; K1806-S1808 PolarHBondContact O-N 2.85Å; S1808-G1812 WeakPolarHBondContact OG-CA 3.49Å
1809G74.2Confident60.9Low45 Ų45105.1 Ų105.146%0.46457%0.568SS.*  trans-55.5159.5176.100000111.3I1811 G1812 R1813G1809-I1811 PolarHBondContact O-N 2.82Å; G1809-G1812 WeakPolarHBondContact O-CA 3.36Å; G1809-G1812 PolarHBondContact O-N 3.42Å; G1809-R1813 PolarHBondContact O-N 3.49Å
1810P75.1Confident62.9Low117 Ų117105.7 Ų105.776%0.7656%0.557SS**Hα-helixtrans-54.4-31.1-173.820.3-32.8000113.4F1814P1810-F1814 VanDerWaalsContact O-CB 3.3Å; P1810-F1814 WeakPolarHBondContact O-CB 3.45Å; P1810-F1814 PolarHBondContact O-N 2.98Å
1811I75.9Confident64.8Low128 Ų12899 Ų9966%0.65653%0.529SS*.Hα-helixtrans-66.1-47.3173.3-59.6170.5000111.6G1809 F1814 I1815G1809-I1811 PolarHBondContact O-N 2.82Å; I1811-F1814 WeakPolarHBondContact O-CB 3.46Å; I1811-F1814 PolarHBondContact O-N 2.83Å; I1811-I1815 HydrophobicContact CG2-CD1 3.92Å; I1811-I1815 VanDerWaalsContact O-CG1 3.31Å; I1811-I1815 WeakPolarHBondContact O-CG1 3.43Å; I1811-I1815 PolarHBondContact O-N 3.28Å
1812G78.4Confident65.6Low26 Ų2699.9 Ų99.927%0.26852%0.521SS..Hα-helixtrans-67.4-36.9179.100000112.5S1808 G1809 I1815 H1816S1808-G1812 WeakPolarHBondContact OG-CA 3.49Å; G1809-G1812 WeakPolarHBondContact O-CA 3.36Å; G1809-G1812 PolarHBondContact O-N 3.42Å; G1812-I1815 PolarHBondContact O-N 2.99Å; G1812-H1816 PolarHBondContact O-N 2.79Å
1813R76.2Confident66.8Low137 Ų13795.8 Ų95.852%0.51749%0.491SS..Hα-helixtrans-65.4-39.8171.8-161.7177.8-158.9-170.76112.3E1805 G1809 H1816 Q1817E1805-R1813 IonicContact OE2-NH2 2.83Å; G1809-R1813 PolarHBondContact O-N 3.49Å; R1813-H1816 PolarHBondContact O-N 2.87Å; R1813-Q1817 WeakPolarHBondContact O-CB 3.3Å; R1813-Q1817 VanDerWaalsContact O-CG 3.31Å; R1813-Q1817 WeakPolarHBondContact O-CG 3.38Å; R1813-Q1817 PolarHBondContact O-N 3.35Å
1814F78.1Confident68.3Low54 Ų5494.2 Ų94.224%0.23748%0.476CS..Hα-helixtrans-63-41.7173.5175.4-102.6000112.1L1645 P1810 I1811 Q1817 L1818L1645-F1814 HydrophobicContact CB-CE1 4.42Å; L1645-F1814 HydrophobicContact CB-CZ 3.93Å; P1810-F1814 VanDerWaalsContact O-CB 3.3Å; P1810-F1814 WeakPolarHBondContact O-CB 3.45Å; P1810-F1814 PolarHBondContact O-N 2.98Å; I1811-F1814 WeakPolarHBondContact O-CB 3.46Å; I1811-F1814 PolarHBondContact O-N 2.83Å; F1814-Q1817 PolarHBondContact O-N 2.9Å; F1814-L1818 WeakPolarHBondContact O-CB 3.32Å; F1814-L1818 PolarHBondContact O-N 2.86Å
1815I80.5Confident69.4Low65 Ų6592.4 Ų92.433%0.33346%0.455SS..Hα-helixtrans-66-39.8175.5-68.6166.8000111.4I1811 G1812 L1818 F1819I1811-I1815 HydrophobicContact CG2-CD1 3.92Å; I1811-I1815 VanDerWaalsContact O-CG1 3.31Å; I1811-I1815 WeakPolarHBondContact O-CG1 3.43Å; I1811-I1815 PolarHBondContact O-N 3.28Å; G1812-I1815 PolarHBondContact O-N 2.99Å; I1815-L1818 WeakPolarHBondContact O-CB 3.39Å; I1815-L1818 PolarHBondContact O-N 3.47Å; I1815-F1819 HydrophobicContact CG2-CD2 3.78Å; I1815-F1819 HydrophobicContact CG2-CE2 3.43Å; I1815-F1819 VanDerWaalsContact CG2-CE2 3.43Å; I1815-F1819 HydrophobicContact CG2-CZ 4.33Å; I1815-F1819 WeakPolarHBondContact O-CD2 3.34Å; I1815-F1819 PolarHBondContact O-N 3.47Å; I1815-F1819 VanDerWaalsContact O-N 3.12Å
1816H80.9Confident70.4Confident88 Ų8887.5 Ų87.541%0.40743%0.433SS..Hα-helixtrans-60.8-46.1174-169.8-143.7000111.3E1805 G1812 R1813 L1818 F1819 H1820E1805-H1816 IonicContact OE1-CE1 2.67Å; E1805-H1816 PolarHBondContact OE1-CE1 3.2Å; E1805-H1816 IonicContact OE1-ND1 3.42Å; E1805-H1816 PolarHBondContact OE1-ND1 2.77Å; G1812-H1816 PolarHBondContact O-N 2.79Å; R1813-H1816 PolarHBondContact O-N 2.87Å; H1816-L1818 VanDerWaalsContact C-N 3.3Å; H1816-L1818 PolarHBondContact O-N 2.77Å; H1816-F1819 PolarHBondContact O-N 2.88Å; H1816-H1820 AromaticContact CD2-CD2 3.71Å; H1816-H1820 AromaticContact NE2-CD2 3.9Å; H1816-H1820 PolarHBondContact O-N 3.35Å
1817Q77Confident71.4Confident107 Ų10782 Ų8250%0.541%0.407SS..Hα-helixtrans-67.1-25.2176-71.2174.1-12.300114R1813 F1814R1813-Q1817 WeakPolarHBondContact O-CB 3.3Å; R1813-Q1817 VanDerWaalsContact O-CG 3.31Å; R1813-Q1817 WeakPolarHBondContact O-CG 3.38Å; R1813-Q1817 PolarHBondContact O-N 3.35Å; F1814-Q1817 PolarHBondContact O-N 2.9Å
1818L79.4Confident72.8Confident10 Ų1074.6 Ų74.65%0.05237%0.374CS..Hα-helixtrans-73.1-42174.9177.561.4000111.9L1645 F1814 I1815 H1816 L1899 I1949L1645-L1818 HydrophobicContact CD2-CD1 4.38Å; L1645-L1818 HydrophobicContact CD2-CD2 4.49Å; L1645-L1818 WeakPolarHBondContact O-CD1 3.38Å; F1814-L1818 WeakPolarHBondContact O-CB 3.32Å; F1814-L1818 PolarHBondContact O-N 2.86Å; I1815-L1818 WeakPolarHBondContact O-CB 3.39Å; I1815-L1818 PolarHBondContact O-N 3.47Å; H1816-L1818 VanDerWaalsContact C-N 3.3Å; H1816-L1818 PolarHBondContact O-N 2.77Å; L1818-L1899 HydrophobicContact CD2-CD1 4.44Å; L1818-L1899 HydrophobicContact CD2-CD2 4.18Å; L1818-I1949 HydrophobicContact CD1-CG2 4.22Å; L1818-I1949 HydrophobicContact CD2-CG2 4.24Å; L1818-I1949 HydrophobicContact CG-CG2 4.41Å
1819F77.4Confident73.9Confident68 Ų6871.2 Ų71.230%0.29835%0.35SS..Hα-helixtrans-82.4-31.1179.2-64-45.7000113.4I1815 H1816 P1821 V1895 V1896 L1899I1815-F1819 HydrophobicContact CG2-CD2 3.78Å; I1815-F1819 HydrophobicContact CG2-CE2 3.43Å; I1815-F1819 VanDerWaalsContact CG2-CE2 3.43Å; I1815-F1819 HydrophobicContact CG2-CZ 4.33Å; I1815-F1819 WeakPolarHBondContact O-CD2 3.34Å; I1815-F1819 PolarHBondContact O-N 3.47Å; I1815-F1819 VanDerWaalsContact O-N 3.12Å; H1816-F1819 PolarHBondContact O-N 2.88Å; F1819-P1821 VanDerWaalsContact C-CD 3.43Å; F1819-P1821 WeakPolarHBondContact O-CD 3.38Å; F1819-V1895 HydrophobicContact CD1-CG1 4.42Å; F1819-V1895 HydrophobicContact CE1-CG1 4.23Å; F1819-V1896 HydrophobicContact CE1-CG2 4.19Å; F1819-V1896 HydrophobicContact CZ-CG2 3.99Å; F1819-L1899 HydrophobicContact CE1-CD2 4.26Å; F1819-L1899 HydrophobicContact CZ-CD2 3.8Å
1820H72.2Confident74.4Confident140 Ų14069.7 Ų69.765%0.64833%0.33SS*.SBendtrans-12566.1-179.4-56.4-77.2000112.5H1816H1816-H1820 AromaticContact CD2-CD2 3.71Å; H1816-H1820 AromaticContact NE2-CD2 3.9Å; H1816-H1820 PolarHBondContact O-N 3.35Å
1821P72.1Confident74.6Confident26 Ų2666 Ų6617%0.16931%0.306CS..  trans-75.6142.4178.831.6-35.7000112.4N1647 F1819 F1823 R1824N1647-P1821 HydrophobicContact CB-CB 4.41Å; N1647-P1821 WeakPolarHBondContact ND2-CB 3.39Å; F1819-P1821 VanDerWaalsContact C-CD 3.43Å; F1819-P1821 WeakPolarHBondContact O-CD 3.38Å; P1821-F1823 PolarHBondContact O-N 3.42Å; P1821-R1824 HydrophobicContact CG-CB 4.27Å
1822K60.7Low74.9Confident127 Ų12763.6 Ų63.655%0.55229%0.294SS*.SBendtrans-58.5-30174.9-174177.4175.9-1770112.5D1738D1738-K1822 IonicContact OD1-NZ 3.94Å; D1738-K1822 PolarHBondContact OD1-NZ 2.86Å
1823F65.9Low75.4Confident41 Ų4162.4 Ų62.418%0.1828%0.281CS..SBendtrans-120.8118.1172.8-55.4-81.5000110.1E1346 M1349 N1647 P1821E1346-F1823 HydrophobicContact CG-CE1 4.42Å; M1349-F1823 VanDerWaalsContact SD-CA 3.59Å; M1349-F1823 HydrophobicContact SD-CB 3.97Å; M1349-F1823 HydrophobicContact SD-CD1 3.74Å; M1349-F1823 HydrophobicContact SD-CG 4.32Å; N1647-F1823 PolarHBondContact ND2-O 2.99Å; P1821-F1823 PolarHBondContact O-N 3.42Å
1824R67.9Low75.9Confident100 Ų10058.8 Ų58.838%0.37727%0.27SS..  trans-115.2112.6176.3-172.8174.4174.8-161.9-11.8109.3P1821 I1826 N1951 Y1953P1821-R1824 HydrophobicContact CG-CB 4.27Å; R1824-I1826 HydrophobicContact CG-CG1 4.39Å; R1824-N1951 WeakPolarHBondContact CG-O 3.44Å; R1824-N1951 PolarHBondContact NE-O 3.09Å; R1824-Y1953 PolarHBondContact NH2-O 2.93Å
1825Y67.1Low76.3Confident74 Ų7457.7 Ų57.729%0.2927%0.274SS..  trans-90.3128.9172.8-171.6-79.4000108.6R1827 N1951Y1825-R1827 HydrophobicContact CD1-CB 4.19Å; Y1825-R1827 HydrophobicContact CE1-CB 4.06Å; Y1825-N1951 WeakPolarHBondContact O-CA 3.19Å; Y1825-N1951 WeakPolarHBondContact O-CB 3.43Å
1826I67.5Low76.8Confident20 Ų2055.7 Ų55.710%0.10326%0.263CS..  trans-104.6122.1-170.9-58.1-179.1000109.6R1824 P1954R1824-I1826 HydrophobicContact CG-CG1 4.39Å; I1826-P1954 HydrophobicContact CG2-CB 4.2Å
1827R70Confident77.2Confident77 Ų7751.6 Ų51.629%0.29124%0.244SC..  trans-159138.3-178-175.5170.1179.7155.1-0.8110.5Y1825 L1829 Q1948Y1825-R1827 HydrophobicContact CD1-CB 4.19Å; Y1825-R1827 HydrophobicContact CE1-CB 4.06Å; R1827-L1829 HydrophobicContact CG-CD2 4.07Å; R1827-L1829 HydrophobicContact CG-CG 4.31Å; R1827-Q1948 PolarHBondContact O-NE2 3.44Å; R1827-Q1948 VanDerWaalsContact O-NE2 3.12Å; R1827-Q1948 PolarHBondContact O-OE1 3.26Å
1828D74.1Confident77.6Confident45 Ų4548.8 Ų48.824%0.24123%0.234CC..  trans-90.4136.1163.8-178.936000111Y1830 P1831 P1954D1828-Y1830 VanDerWaalsContact OD1-CB 3.28Å; D1828-Y1830 WeakPolarHBondContact OD1-CB 3.3Å; D1828-Y1830 PolarHBondContact OD1-N 3.37Å; D1828-P1831 WeakPolarHBondContact OD2-CD 3.34Å; D1828-P1954 HydrophobicContact CB-CG 4.33Å
1829L81.3Confident78Confident0 Ų052.2 Ų52.20%025%0.252CS..  trans-126.4-0.9176.2-57166.4000111.3R1827 I1832 M1833 V1944 W1947 Q1948R1827-L1829 HydrophobicContact CG-CD2 4.07Å; R1827-L1829 HydrophobicContact CG-CG 4.31Å; L1829-I1832 HydrophobicContact CD2-CD1 4.03Å; L1829-I1832 WeakPolarHBondContact O-CA 3.38Å; L1829-I1832 WeakPolarHBondContact O-CB 3.33Å; L1829-I1832 PolarHBondContact O-N 2.99Å; L1829-M1833 WeakPolarHBondContact O-CG 3.46Å; L1829-M1833 PolarHBondContact O-N 2.98Å; L1829-V1944 HydrophobicContact CB-CG1 3.75Å; L1829-V1944 HydrophobicContact CD1-CG1 4.17Å; L1829-V1944 HydrophobicContact CG-CG1 4.43Å; L1829-W1947 HydrophobicContact CD1-CB 3.89Å; L1829-W1947 HydrophobicContact CD1-CD2 3.54Å; L1829-W1947 HydrophobicContact CD1-CE3 3.6Å; L1829-W1947 HydrophobicContact CD1-CG 3.68Å; L1829-W1947 HydrophobicContact CD1-CZ3 4.32Å; L1829-W1947 HydrophobicContact CD2-CE3 4.03Å; L1829-W1947 HydrophobicContact CD2-CH2 4.3Å; L1829-W1947 HydrophobicContact CD2-CZ3 3.91Å; L1829-Q1948 HydrophobicContact CD1-CB 4.24Å; L1829-Q1948 VanDerWaalsContact CG-OE1 3.28Å
1830Y84.9Confident78.6Confident13 Ų1349 Ų495%0.05124%0.238CC..Hα-helixtrans-55-41.4-176.6179.4-89.1000113.7D1828 I1832 M1833 F1834 D1886 R1887 Y1890D1828-Y1830 VanDerWaalsContact OD1-CB 3.28Å; D1828-Y1830 WeakPolarHBondContact OD1-CB 3.3Å; D1828-Y1830 PolarHBondContact OD1-N 3.37Å; Y1830-I1832 PolarHBondContact O-N 3.5Å; Y1830-M1833 WeakPolarHBondContact O-CB 3.16Å; Y1830-M1833 PolarHBondContact O-N 3.39Å; Y1830-M1833 VanDerWaalsContact O-N 3.12Å; Y1830-F1834 HydrophobicContact CE1-CB 4.12Å; Y1830-F1834 PolarHBondContact O-N 2.66Å; Y1830-D1886 HydrophobicContact CE2-CB 4.47Å; Y1830-R1887 WeakPolarHBondContact OH-CA 3.22Å; Y1830-R1887 WeakPolarHBondContact OH-CB 3.38Å; Y1830-R1887 WeakPolarHBondContact OH-CD 3.18Å; Y1830-Y1890 VanDerWaalsContact CB-CD2 3.41Å; Y1830-Y1890 VanDerWaalsContact CB-CE2 3.46Å; Y1830-Y1890 HydrophobicContact CD1-CD1 4.16Å; Y1830-Y1890 HydrophobicContact CD1-CD2 4.21Å; Y1830-Y1890 HydrophobicContact CD1-CE1 4.32Å; Y1830-Y1890 HydrophobicContact CD1-CE2 4.36Å; Y1830-Y1890 HydrophobicContact CD1-CG 4.11Å; Y1830-Y1890 HydrophobicContact CD2-CD1 4.38Å; Y1830-Y1890 AromaticContact CD2-CD2 3.66Å; Y1830-Y1890 HydrophobicContact CD2-CD2 3.66Å; Y1830-Y1890 HydrophobicContact CD2-CE2 4.49Å; Y1830-Y1890 AromaticContact CD2-CG 3.59Å; Y1830-Y1890 HydrophobicContact CD2-CG 3.59Å; Y1830-Y1890 HydrophobicContact CE1-CD1 4.47Å; Y1830-Y1890 HydrophobicContact CE2-CG 4.08Å; Y1830-Y1890 HydrophobicContact CG-CD1 4.15Å; Y1830-Y1890 AromaticContact CG-CD2 3.46Å; Y1830-Y1890 HydrophobicContact CG-CD2 3.46Å; Y1830-Y1890 VanDerWaalsContact CG-CD2 3.46Å; Y1830-Y1890 HydrophobicContact CG-CE1 4.49Å; Y1830-Y1890 AromaticContact CG-CE2 3.84Å; Y1830-Y1890 HydrophobicContact CG-CE2 3.84Å; Y1830-Y1890 AromaticContact CG-CG 3.63Å; Y1830-Y1890 HydrophobicContact CG-CG 3.63Å
1831P78.4Confident79.3Confident40 Ų4045.3 Ų45.326%0.2622%0.22SC..Hα-helixtrans-59.2-33.1174.4-26.835.5000113.7D1828 G1835 L1961D1828-P1831 WeakPolarHBondContact OD2-CD 3.34Å; P1831-G1835 PolarHBondContact O-N 2.81Å; P1831-L1961 HydrophobicContact CB-CB 3.99Å; P1831-L1961 HydrophobicContact CB-CD2 3.6Å; P1831-L1961 HydrophobicContact CB-CG 4.4Å; P1831-L1961 HydrophobicContact CG-CB 4.07Å; P1831-L1961 HydrophobicContact CG-CD2 4.29Å
1832I83.7Confident80Confident77 Ų7747.8 Ų47.840%0.39523%0.232SC..Hα-helixtrans-72.2-43.2176-56.9175.9000109.5L1829 Y1830 G1835 I1836 V1944L1829-I1832 HydrophobicContact CD2-CD1 4.03Å; L1829-I1832 WeakPolarHBondContact O-CA 3.38Å; L1829-I1832 WeakPolarHBondContact O-CB 3.33Å; L1829-I1832 PolarHBondContact O-N 2.99Å; Y1830-I1832 PolarHBondContact O-N 3.5Å; I1832-G1835 PolarHBondContact O-N 2.86Å; I1832-I1836 HydrophobicContact CG2-CD1 3.97Å; I1832-I1836 VanDerWaalsContact O-CG1 3.28Å; I1832-I1836 WeakPolarHBondContact O-CG1 3.26Å; I1832-I1836 PolarHBondContact O-N 2.83Å; I1832-V1944 HydrophobicContact CB-CG1 4.4Å; I1832-V1944 HydrophobicContact CG2-CG1 4.23Å; I1832-V1944 HydrophobicContact CG2-CG2 4.35Å
1833M88.8Confident81.2Confident1 Ų143.5 Ų43.51%0.00521%0.214CC..Hα-helixtrans-60.8-47.8177.2-64178.457.900111.9L1829 Y1830 G1835 I1836 D1837 Y1941 V1944 Q1948L1829-M1833 WeakPolarHBondContact O-CG 3.46Å; L1829-M1833 PolarHBondContact O-N 2.98Å; Y1830-M1833 WeakPolarHBondContact O-CB 3.16Å; Y1830-M1833 PolarHBondContact O-N 3.39Å; Y1830-M1833 VanDerWaalsContact O-N 3.12Å; M1833-G1835 PolarHBondContact O-N 2.82Å; M1833-I1836 PolarHBondContact O-N 3.43Å; M1833-D1837 PolarHBondContact O-N 3.06Å; M1833-Y1941 HydrophobicContact CB-CD2 4.13Å; M1833-Y1941 HydrophobicContact CB-CE2 3.92Å; M1833-Y1941 HydrophobicContact CE-CD2 4.47Å; M1833-Y1941 HydrophobicContact CE-CE1 4.47Å; M1833-Y1941 HydrophobicContact CE-CE2 3.76Å; M1833-V1944 HydrophobicContact CG-CB 4.18Å; M1833-V1944 HydrophobicContact CG-CG1 3.52Å; M1833-V1944 HydrophobicContact SD-CG1 4.34Å; M1833-Q1948 HydrophobicContact SD-CB 4.09Å; M1833-Q1948 HydrophobicContact SD-CG 4.42Å
1834F87Confident82Confident62 Ų6241.6 Ų41.627%0.27221%0.206SC..Hα-helixtrans-60.8-42.9174.5178.2-102.9000112Y1830 I1836 D1837 V1838 I1883Y1830-F1834 HydrophobicContact CE1-CB 4.12Å; Y1830-F1834 PolarHBondContact O-N 2.66Å; F1834-I1836 VanDerWaalsContact C-N 3.33Å; F1834-I1836 PolarHBondContact O-N 2.9Å; F1834-D1837 PolarHBondContact O-N 3.12Å; F1834-V1838 HydrophobicContact CD1-CG2 4.24Å; F1834-V1838 HydrophobicContact CE1-CG2 3.79Å; F1834-V1838 HydrophobicContact CE2-CG2 4.1Å; F1834-V1838 HydrophobicContact CZ-CG2 3.71Å; F1834-V1838 WeakPolarHBondContact O-CG2 3.48Å; F1834-V1838 PolarHBondContact O-N 2.85Å; F1834-I1883 HydrophobicContact CD2-CG2 4.14Å; F1834-I1883 HydrophobicContact CE2-CG2 3.9Å
1835G84.6Confident82.6Confident31 Ų3139.7 Ų39.732%0.3221%0.205SC..Hα-helixtrans-59.2-41.2175.400000113.3P1831 I1832 M1833 I1839P1831-G1835 PolarHBondContact O-N 2.81Å; I1832-G1835 PolarHBondContact O-N 2.86Å; M1833-G1835 PolarHBondContact O-N 2.82Å; G1835-I1839 VanDerWaalsContact O-CG1 3.32Å; G1835-I1839 WeakPolarHBondContact O-CG1 3.23Å; G1835-I1839 PolarHBondContact O-N 3.28Å; G1835-I1839 VanDerWaalsContact O-N 3.1Å
1836I91.1Very high83.2Confident23 Ų2343.9 Ų43.912%0.11823%0.225CC..Hα-helixtrans-66.8-38.2176.3-64.8164.8000111.3I1832 M1833 F1834 I1839 C1840 I1937 V1944I1832-I1836 HydrophobicContact CG2-CD1 3.97Å; I1832-I1836 VanDerWaalsContact O-CG1 3.28Å; I1832-I1836 WeakPolarHBondContact O-CG1 3.26Å; I1832-I1836 PolarHBondContact O-N 2.83Å; M1833-I1836 PolarHBondContact O-N 3.43Å; F1834-I1836 VanDerWaalsContact C-N 3.33Å; F1834-I1836 PolarHBondContact O-N 2.9Å; I1836-I1839 WeakPolarHBondContact O-CB 3.16Å; I1836-I1839 PolarHBondContact O-N 3.43Å; I1836-C1840 PolarHBondContact O-N 3.5Å; I1836-C1840 PolarHBondContact O-SG 3.01Å; I1836-I1937 HydrophobicContact CG2-CG2 3.62Å; I1836-I1937 VanDerWaalsContact CG2-O 3.25Å; I1836-I1937 WeakPolarHBondContact CG2-O 3.42Å; I1836-V1944 HydrophobicContact CD1-CG2 3.96Å
1837D89.8Confident83.5Confident2 Ų243.4 Ų43.41%0.01123%0.225CC..Hα-helixtrans-72.9-32.6178.2-895.8000113.5M1833 F1834 I1839 C1840 F1841 I1883 K1938 Y1941M1833-D1837 PolarHBondContact O-N 3.06Å; F1834-D1837 PolarHBondContact O-N 3.12Å; D1837-I1839 VanDerWaalsContact C-N 3.32Å; D1837-C1840 WeakPolarHBondContact O-CB 3.05Å; D1837-C1840 PolarHBondContact O-N 3.19Å; D1837-F1841 PolarHBondContact O-N 3Å; D1837-I1883 HydrophobicContact CB-CD1 4.17Å; D1837-I1883 HydrophobicContact CB-CG1 3.96Å; D1837-K1938 WeakPolarHBondContact OD1-CD 3Å; D1837-K1938 IonicContact OD1-NZ 3.24Å; D1837-K1938 PolarHBondContact OD1-NZ 3.29Å; D1837-K1938 IonicContact OD2-NZ 3.3Å; D1837-K1938 PolarHBondContact OD2-NZ 3.25Å; D1837-Y1941 VanDerWaalsContact OD1-CD2 3.25Å; D1837-Y1941 WeakPolarHBondContact OD1-CD2 3.43Å; D1837-Y1941 WeakPolarHBondContact OD2-CE2 3.5Å
1838V85.5Confident83.7Confident47 Ų4741 Ų4129%0.28522%0.216SC..Hα-helixtrans-63.4-38.6167.8171.70000111F1834 F1841 L1842F1834-V1838 HydrophobicContact CD1-CG2 4.24Å; F1834-V1838 HydrophobicContact CE1-CG2 3.79Å; F1834-V1838 HydrophobicContact CE2-CG2 4.1Å; F1834-V1838 HydrophobicContact CZ-CG2 3.71Å; F1834-V1838 WeakPolarHBondContact O-CG2 3.48Å; F1834-V1838 PolarHBondContact O-N 2.85Å; V1838-F1841 WeakPolarHBondContact O-CB 3.49Å; V1838-F1841 PolarHBondContact O-N 3.15Å; V1838-L1842 HydrophobicContact CG1-CD1 4.37Å; V1838-L1842 WeakPolarHBondContact O-CG 3.39Å; V1838-L1842 PolarHBondContact O-N 3.29Å
1839I88.4Confident83.7Confident83 Ų8340.7 Ų40.743%0.42622%0.217SC..Hα-helixtrans-64.6-41.7173.2-67.3164.5000110.8G1835 I1836 D1837 F1841 L1842 I1843 I1937G1835-I1839 VanDerWaalsContact O-CG1 3.32Å; G1835-I1839 WeakPolarHBondContact O-CG1 3.23Å; G1835-I1839 PolarHBondContact O-N 3.28Å; G1835-I1839 VanDerWaalsContact O-N 3.1Å; I1836-I1839 WeakPolarHBondContact O-CB 3.16Å; I1836-I1839 PolarHBondContact O-N 3.43Å; D1837-I1839 VanDerWaalsContact C-N 3.32Å; I1839-F1841 VanDerWaalsContact C-N 3.33Å; I1839-F1841 PolarHBondContact O-N 2.8Å; I1839-L1842 PolarHBondContact O-N 2.93Å; I1839-I1843 HydrophobicContact CG2-CD1 3.83Å; I1839-I1843 HydrophobicContact CG2-CG1 4.47Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.44Å; I1839-I1843 PolarHBondContact O-N 3.03Å; I1839-I1937 HydrophobicContact CG2-CD1 4.2Å; I1839-I1937 HydrophobicContact CG2-CG2 4.1Å
1840C89.6Confident83.3Confident1 Ų141.3 Ų41.31%0.00722%0.222CC..Hα-helixtrans-60.3-42.1173.8-64.90000112.1I1836 D1837 I1843 M1844 M1879I1836-C1840 PolarHBondContact O-N 3.5Å; I1836-C1840 PolarHBondContact O-SG 3.01Å; D1837-C1840 WeakPolarHBondContact O-CB 3.05Å; D1837-C1840 PolarHBondContact O-N 3.19Å; C1840-I1843 PolarHBondContact O-N 3.38Å; C1840-M1844 WeakPolarHBondContact O-CG 3.4Å; C1840-M1844 PolarHBondContact O-N 3.39Å; C1840-M1844 VanDerWaalsContact O-N 3.08Å; C1840-M1879 HydrophobicContact CB-CE 3.6Å
1841F87.5Confident82.9Confident62 Ų6240.7 Ų40.727%0.27222%0.22SC..Hα-helixtrans-61-44.9176.3-175.2-88.5000112.3D1837 V1838 I1839 M1844 T1845 L1876 T1880D1837-F1841 PolarHBondContact O-N 3Å; V1838-F1841 WeakPolarHBondContact O-CB 3.49Å; V1838-F1841 PolarHBondContact O-N 3.15Å; I1839-F1841 VanDerWaalsContact C-N 3.33Å; I1839-F1841 PolarHBondContact O-N 2.8Å; F1841-M1844 HydrophobicContact CD2-CE 4.45Å; F1841-M1844 PolarHBondContact O-N 2.89Å; F1841-T1845 WeakPolarHBondContact O-CB 3.33Å; F1841-T1845 PolarHBondContact O-N 3.23Å; F1841-T1845 VanDerWaalsContact O-N 3.07Å; F1841-T1845 PolarHBondContact O-OG1 3.02Å; F1841-L1876 HydrophobicContact CE2-CD1 4.35Å; F1841-L1876 HydrophobicContact CE2-CD2 3.77Å; F1841-L1876 HydrophobicContact CE2-CG 3.75Å; F1841-L1876 HydrophobicContact CZ-CD1 4.35Å; F1841-L1876 HydrophobicContact CZ-CD2 4.19Å; F1841-L1876 HydrophobicContact CZ-CG 4.22Å; F1841-T1880 HydrophobicContact CD2-CG2 4.33Å; F1841-T1880 HydrophobicContact CE2-CG2 3.76Å
1842L85.9Confident82.3Confident78 Ų7839.3 Ų39.341%0.40821%0.213SC..Hα-helixtrans-64.4-40.2175.5-69.9172.4000112.2V1838 I1839 T1845 F1846V1838-L1842 HydrophobicContact CG1-CD1 4.37Å; V1838-L1842 WeakPolarHBondContact O-CG 3.39Å; V1838-L1842 PolarHBondContact O-N 3.29Å; I1839-L1842 PolarHBondContact O-N 2.93Å; L1842-T1845 PolarHBondContact O-N 3.32Å; L1842-F1846 HydrophobicContact CB-CD2 4.29Å; L1842-F1846 HydrophobicContact CB-CE2 4.13Å; L1842-F1846 HydrophobicContact CD2-CE2 4.08Å; L1842-F1846 WeakPolarHBondContact O-CD2 3.43Å; L1842-F1846 PolarHBondContact O-N 3.37Å
1843I86.8Confident81.4Confident37 Ų3743.9 Ų43.919%0.1923%0.233CC..Hα-helixtrans-64-40.9178.5-73.5170.3000111.9I1839 C1840 G1847 V1930 A1933 I1937I1839-I1843 HydrophobicContact CG2-CD1 3.83Å; I1839-I1843 HydrophobicContact CG2-CG1 4.47Å; I1839-I1843 WeakPolarHBondContact O-CG1 3.44Å; I1839-I1843 PolarHBondContact O-N 3.03Å; C1840-I1843 PolarHBondContact O-N 3.38Å; I1843-G1847 WeakPolarHBondContact O-CA 3.42Å; I1843-G1847 PolarHBondContact O-N 2.95Å; I1843-V1930 HydrophobicContact CG2-CG1 4.06Å; I1843-A1933 HydrophobicContact CG2-CB 4.48Å; I1843-I1937 HydrophobicContact CD1-CD1 3.33Å
1844M82.7Confident79.8Confident1 Ų145.9 Ų45.91%0.00525%0.254CS..Hα-helixtrans-64.1-43.4172.8-66.3-177.4-60.100111.8C1840 F1841 G1847 Y1848 F1851 L1872 M1875 M1879 L1934C1840-M1844 WeakPolarHBondContact O-CG 3.4Å; C1840-M1844 PolarHBondContact O-N 3.39Å; C1840-M1844 VanDerWaalsContact O-N 3.08Å; F1841-M1844 HydrophobicContact CD2-CE 4.45Å; F1841-M1844 PolarHBondContact O-N 2.89Å; M1844-G1847 CarbonylContact O-C 3.57Å; M1844-G1847 PolarHBondContact O-N 3.38Å; M1844-Y1848 PolarHBondContact O-N 3.2Å; M1844-F1851 HydrophobicContact CG-CZ 4.49Å; M1844-L1872 HydrophobicContact CB-CD1 4.27Å; M1844-L1872 WeakPolarHBondContact O-CD1 3.33Å; M1844-M1875 HydrophobicContact CG-CE 4.42Å; M1844-M1875 HydrophobicContact SD-CB 3.9Å; M1844-M1875 HydrophobicContact SD-CE 4.02Å; M1844-M1879 HydrophobicContact CE-CB 3.66Å; M1844-M1879 HydrophobicContact CE-CG 3.59Å; M1844-M1879 HydrophobicContact SD-CG 4.04Å; M1844-L1934 HydrophobicContact CG-CD1 3.51Å; M1844-L1934 HydrophobicContact SD-CD1 4Å
1845T79.2Confident78.2Confident60 Ų6044.4 Ų44.437%0.36826%0.255SS..Hα-helixtrans-64.8-46.4-176.8-55.10000111.9F1841 L1842F1841-T1845 WeakPolarHBondContact O-CB 3.33Å; F1841-T1845 PolarHBondContact O-N 3.23Å; F1841-T1845 VanDerWaalsContact O-N 3.07Å; F1841-T1845 PolarHBondContact O-OG1 3.02Å; L1842-T1845 PolarHBondContact O-N 3.32Å
1846F80.8Confident76.8Confident162 Ų16246.8 Ų46.871%0.71127%0.267SS*.Hα-helixtrans-75-29.1175.6-64.5-54.7000112.9L1842 Y1848L1842-F1846 HydrophobicContact CB-CD2 4.29Å; L1842-F1846 HydrophobicContact CB-CE2 4.13Å; L1842-F1846 HydrophobicContact CD2-CE2 4.08Å; L1842-F1846 WeakPolarHBondContact O-CD2 3.43Å; L1842-F1846 PolarHBondContact O-N 3.37Å; F1846-Y1848 VanDerWaalsContact C-N 3.32Å; F1846-Y1848 PolarHBondContact O-N 3.43Å
1847G74.1Confident75.2Confident9 Ų948 Ų489%0.09329%0.285CS..THydrogen-bonded Turntrans-87.114.5-178.900000115.7I1843 M1844 S1849 A1850 F1851I1843-G1847 WeakPolarHBondContact O-CA 3.42Å; I1843-G1847 PolarHBondContact O-N 2.95Å; M1844-G1847 CarbonylContact O-C 3.57Å; M1844-G1847 PolarHBondContact O-N 3.38Å; G1847-S1849 PolarHBondContact O-N 2.93Å; G1847-S1849 VanDerWaalsContact O-N 3.08Å; G1847-A1850 WeakPolarHBondContact O-CB 3.27Å; G1847-A1850 PolarHBondContact O-N 2.94Å; G1847-F1851 WeakPolarHBondContact O-CD2 3.24Å
1848Y74.4Confident73.8Confident28 Ų2851.6 Ų51.611%0.1131%0.305CS..G310 helixtrans-45.4-42.4-17477.9-72000114.4M1844 F1846 A1850 F1851 G1857 N1858 V1859 D1862M1844-Y1848 PolarHBondContact O-N 3.2Å; F1846-Y1848 VanDerWaalsContact C-N 3.32Å; F1846-Y1848 PolarHBondContact O-N 3.43Å; Y1848-A1850 PolarHBondContact O-N 3.43Å; Y1848-F1851 PolarHBondContact O-N 2.77Å; Y1848-G1857 PolarHBondContact OH-O 3.48Å; Y1848-N1858 VanDerWaalsContact OH-C 3.25Å; Y1848-N1858 PolarHBondContact OH-N 3.2Å; Y1848-V1859 HydrophobicContact CD1-CG2 4.24Å; Y1848-V1859 HydrophobicContact CE1-CG2 3.48Å; Y1848-V1859 VanDerWaalsContact CE1-CG2 3.48Å; Y1848-V1859 WeakPolarHBondContact OH-CA 3.34Å; Y1848-V1859 PolarHBondContact OH-N 3.49Å; Y1848-D1862 HydrophobicContact CE2-CB 4.18Å; Y1848-D1862 WeakPolarHBondContact CE2-OD2 2.95Å
1849S72.2Confident72.7Confident37 Ų3753.3 Ų53.326%0.25932%0.315SS..G310 helixtrans-69.1-15.2-177.958.90000114.5G1847G1847-S1849 PolarHBondContact O-N 2.93Å; G1847-S1849 VanDerWaalsContact O-N 3.08Å
1850A74.8Confident71.3Confident13 Ų1354.1 Ų54.111%0.10732%0.319CS..G310 helixtrans-88.4-9.5178.700000113.8G1847 Y1848 N1928 V1930G1847-A1850 WeakPolarHBondContact O-CB 3.27Å; G1847-A1850 PolarHBondContact O-N 2.94Å; Y1848-A1850 PolarHBondContact O-N 3.43Å; A1850-N1928 PolarHBondContact O-ND2 2.69Å; A1850-V1930 HydrophobicContact CB-CB 3.72Å; A1850-V1930 HydrophobicContact CB-CG1 4.43Å; A1850-V1930 HydrophobicContact CB-CG2 3.48Å; A1850-V1930 VanDerWaalsContact CB-CG2 3.48Å
1851F75.3Confident70Confident1 Ų156.9 Ų56.90%0.00433%0.334CS..SBendtrans-101.9-10179.8-62-74000113.9M1844 G1847 Y1848 T1871 L1872 M1875 L1917 T1921 V1930 L1934M1844-F1851 HydrophobicContact CG-CZ 4.49Å; G1847-F1851 WeakPolarHBondContact O-CD2 3.24Å; Y1848-F1851 PolarHBondContact O-N 2.77Å; F1851-T1871 PolarHBondContact O-OG1 2.83Å; F1851-L1872 HydrophobicContact CB-CB 4.48Å; F1851-L1872 HydrophobicContact CD2-CD1 4.07Å; F1851-M1875 HydrophobicContact CD1-CE 4.19Å; F1851-M1875 HydrophobicContact CD1-SD 3.83Å; F1851-M1875 HydrophobicContact CE1-CE 3.59Å; F1851-M1875 HydrophobicContact CE1-SD 3.86Å; F1851-M1875 HydrophobicContact CZ-CE 3.99Å; F1851-L1917 HydrophobicContact CD1-CD1 4.06Å; F1851-L1917 HydrophobicContact CD1-CD2 4.22Å; F1851-L1917 HydrophobicContact CE1-CD2 4.24Å; F1851-T1921 WeakPolarHBondContact O-CG2 3.35Å; F1851-V1930 HydrophobicContact CE2-CG1 3.56Å; F1851-V1930 HydrophobicContact CZ-CB 4.47Å; F1851-V1930 HydrophobicContact CZ-CG1 3.59Å; F1851-L1934 HydrophobicContact CZ-CD1 4.21Å
1852G66.8Low68.9Low10 Ų1054.8 Ų54.810%0.10333%0.326CS..SBendtrans-111169.9-179.300000114.4G1854G1852-G1854 PolarHBondContact O-N 3.42Å
1853E63.2Low67.9Low174 Ų17455.7 Ų55.781%0.81333%0.334SS*.SBendtrans-76.164.2178.4-61.7-178.4146.100112
1854G56.1Low66.6Low43 Ų4359 Ų5944%0.44335%0.348SS..  trans84.961.4167.800000116.4G1852G1852-G1854 PolarHBondContact O-N 3.42Å
1855G53.6Low65.7Low30 Ų3061.5 Ų61.531%0.30937%0.368SS..  trans-68.7152.9165.300000112.6G1857 D1862G1855-G1857 PolarHBondContact O-N 2.89Å; G1855-D1862 WeakPolarHBondContact CA-OD2 3.48Å
1856S55.9Low65Low81 Ų8163.5 Ų63.557%0.56638%0.384SS*.  trans-71.4-8.7-175.770.40000114.3N1858 D1862S1856-N1858 PolarHBondContact O-N 2.9Å; S1856-N1858 PolarHBondContact OG-N 3.06Å; S1856-N1858 VanDerWaalsContact OG-N 3.16Å; S1856-D1862 PolarHBondContact N-OD2 2.95Å
1857G57.4Low64.2Low48 Ų4864.1 Ų64.150%0.49538%0.382SS..SBendtrans85.4-22.2-168.500000113.1Y1848 G1855Y1848-G1857 PolarHBondContact OH-O 3.48Å; G1855-G1857 PolarHBondContact O-N 2.89Å
1858N60.2Low63.8Low79 Ų7969.2 Ų69.242%0.42241%0.406SS..  trans-90.6107.6178.3-170.214.7000111.6Y1848 S1856 L1860 D1861 D1862Y1848-N1858 VanDerWaalsContact OH-C 3.25Å; Y1848-N1858 PolarHBondContact OH-N 3.2Å; S1856-N1858 PolarHBondContact O-N 2.9Å; S1856-N1858 PolarHBondContact OG-N 3.06Å; S1856-N1858 VanDerWaalsContact OG-N 3.16Å; N1858-L1860 PolarHBondContact O-N 3.39Å; N1858-D1861 HydrophobicContact CB-CB 4.48Å; N1858-D1861 WeakPolarHBondContact CB-OD2 3.25Å; N1858-D1861 PolarHBondContact ND2-OD2 3.35Å; N1858-D1861 PolarHBondContact O-N 3.15Å; N1858-D1862 PolarHBondContact O-N 3.36Å
1859V60.8Low63.7Low83 Ų8368.9 Ų68.950%0.50341%0.407SS..Hα-helixtrans-52.2-35.9-178.3-179.80000111.3Y1848 D1861 V1863Y1848-V1859 HydrophobicContact CD1-CG2 4.24Å; Y1848-V1859 HydrophobicContact CE1-CG2 3.48Å; Y1848-V1859 VanDerWaalsContact CE1-CG2 3.48Å; Y1848-V1859 WeakPolarHBondContact OH-CA 3.34Å; Y1848-V1859 PolarHBondContact OH-N 3.49Å; V1859-D1861 PolarHBondContact O-N 3.47Å; V1859-V1863 HydrophobicContact CG1-CG2 4.1Å; V1859-V1863 VanDerWaalsContact O-CB 3.25Å; V1859-V1863 WeakPolarHBondContact O-CB 3.16Å; V1859-V1863 WeakPolarHBondContact O-CG2 3.46Å; V1859-V1863 PolarHBondContact O-N 3.27Å
1860L59.2Low63.9Low99 Ų9972.3 Ų72.352%0.51843%0.426SS..Hα-helixtrans-64.3-28.9-178.2-141.478.7000113.1N1858 K1864N1858-L1860 PolarHBondContact O-N 3.39Å; L1860-K1864 WeakPolarHBondContact O-CD 3.46Å; L1860-K1864 WeakPolarHBondContact O-CE 3.47Å; L1860-K1864 WeakPolarHBondContact O-CG 3.42Å; L1860-K1864 PolarHBondContact O-N 3.4Å; L1860-K1864 VanDerWaalsContact O-N 3.14Å
1861D63.6Low64.2Low60 Ų6072.3 Ų72.332%0.32143%0.425SS..Hα-helixtrans-90.5-40.5-175.5-60.9-34.9000111.7N1858 V1859 V1863 K1864 A1865N1858-D1861 HydrophobicContact CB-CB 4.48Å; N1858-D1861 WeakPolarHBondContact CB-OD2 3.25Å; N1858-D1861 PolarHBondContact ND2-OD2 3.35Å; N1858-D1861 PolarHBondContact O-N 3.15Å; V1859-D1861 PolarHBondContact O-N 3.47Å; D1861-V1863 VanDerWaalsContact C-N 3.27Å; D1861-V1863 PolarHBondContact O-N 2.91Å; D1861-K1864 WeakPolarHBondContact O-CB 3.39Å; D1861-K1864 PolarHBondContact O-N 3.27Å; D1861-K1864 WeakPolarHBondContact OD1-CE 3.2Å; D1861-K1864 IonicContact OD1-NZ 2.7Å; D1861-K1864 PolarHBondContact OD1-NZ 2.95Å; D1861-A1865 WeakPolarHBondContact O-CB 3.28Å; D1861-A1865 PolarHBondContact O-N 3.46Å
1862D64.1Low64.4Low17 Ų1773.1 Ų73.19%0.09143%0.43CS..Hα-helixtrans-65.7-32.3171.6-71-29.9000111.3Y1848 G1855 S1856 N1858 A1865 S1866 R1867Y1848-D1862 HydrophobicContact CE2-CB 4.18Å; Y1848-D1862 WeakPolarHBondContact CE2-OD2 2.95Å; G1855-D1862 WeakPolarHBondContact CA-OD2 3.48Å; S1856-D1862 PolarHBondContact N-OD2 2.95Å; N1858-D1862 PolarHBondContact O-N 3.36Å; D1862-A1865 CarbonylContact O-C 3.32Å; D1862-A1865 PolarHBondContact O-N 2.96Å; D1862-S1866 PolarHBondContact O-N 3.44Å; D1862-S1866 VanDerWaalsContact O-N 3.08Å; D1862-R1867 PolarHBondContact O-N 2.85Å
1863V63.8Low65.1Low97 Ų9776 Ų7659%0.58845%0.445SS*.Hα-helixtrans-69.1-41.8169.7169.30000112.4V1859 D1861 A1865 S1866V1859-V1863 HydrophobicContact CG1-CG2 4.1Å; V1859-V1863 VanDerWaalsContact O-CB 3.25Å; V1859-V1863 WeakPolarHBondContact O-CB 3.16Å; V1859-V1863 WeakPolarHBondContact O-CG2 3.46Å; V1859-V1863 PolarHBondContact O-N 3.27Å; D1861-V1863 VanDerWaalsContact C-N 3.27Å; D1861-V1863 PolarHBondContact O-N 2.91Å; V1863-A1865 VanDerWaalsContact C-N 3.26Å; V1863-A1865 PolarHBondContact O-N 3.23Å; V1863-S1866 PolarHBondContact O-N 2.95Å; V1863-S1866 VanDerWaalsContact O-N 3.09Å
1864K60Low66Low108 Ų10871.3 Ų71.347%0.4743%0.428SS..Hα-helixtrans-57.9-41.5172.1-76.4163.6-156.2167.30111.2L1860 D1861 S1866L1860-K1864 WeakPolarHBondContact O-CD 3.46Å; L1860-K1864 WeakPolarHBondContact O-CE 3.47Å; L1860-K1864 WeakPolarHBondContact O-CG 3.42Å; L1860-K1864 PolarHBondContact O-N 3.4Å; L1860-K1864 VanDerWaalsContact O-N 3.14Å; D1861-K1864 WeakPolarHBondContact O-CB 3.39Å; D1861-K1864 PolarHBondContact O-N 3.27Å; D1861-K1864 WeakPolarHBondContact OD1-CE 3.2Å; D1861-K1864 IonicContact OD1-NZ 2.7Å; D1861-K1864 PolarHBondContact OD1-NZ 2.95Å; K1864-S1866 PolarHBondContact O-N 3.37Å
1865A64Low67.3Low53 Ų5370.2 Ų70.244%0.43841%0.411SS..THydrogen-bonded Turntrans-77.5-4.5178.900000113.9D1861 D1862 V1863 R1867D1861-A1865 WeakPolarHBondContact O-CB 3.28Å; D1861-A1865 PolarHBondContact O-N 3.46Å; D1862-A1865 CarbonylContact O-C 3.32Å; D1862-A1865 PolarHBondContact O-N 2.96Å; V1863-A1865 VanDerWaalsContact C-N 3.26Å; V1863-A1865 PolarHBondContact O-N 3.23Å; A1865-R1867 HydrophobicContact CB-CB 4.33Å; A1865-R1867 HydrophobicContact CB-CG 3.75Å; A1865-R1867 PolarHBondContact O-N 3.45Å
1866S65.7Low68.8Low101 Ų10171.4 Ų71.471%0.70641%0.411SS*.THydrogen-bonded Turntrans55.225-172.1-54.70000114.3D1862 V1863 K1864 I1868D1862-S1866 PolarHBondContact O-N 3.44Å; D1862-S1866 VanDerWaalsContact O-N 3.08Å; V1863-S1866 PolarHBondContact O-N 2.95Å; V1863-S1866 VanDerWaalsContact O-N 3.09Å; K1864-S1866 PolarHBondContact O-N 3.37Å; S1866-I1868 PolarHBondContact O-N 3.33Å; S1866-I1868 VanDerWaalsContact O-N 3.13Å
1867R63.5Low70.2Confident175 Ų17571.1 Ų71.166%0.6641%0.405SS*.  trans-87.672-175.8-70.7179.7-178.8-173.10.1111.4D1862 A1865 P1869D1862-R1867 PolarHBondContact O-N 2.85Å; A1865-R1867 HydrophobicContact CB-CB 4.33Å; A1865-R1867 HydrophobicContact CB-CG 3.75Å; A1865-R1867 PolarHBondContact O-N 3.45Å; R1867-P1869 WeakPolarHBondContact O-CD 3.44Å
1868I66.4Low71.7Confident116 Ų11670.7 Ų70.760%0.59540%0.401SS*.  trans-86.2119.9169.1-51.9-179.9000108.5S1866 V1870 V1873S1866-I1868 PolarHBondContact O-N 3.33Å; S1866-I1868 VanDerWaalsContact O-N 3.13Å; I1868-V1870 PolarHBondContact O-N 3.46Å; I1868-V1873 HydrophobicContact CG2-CG2 3.62Å
1869P71Confident73Confident22 Ų2268 Ų6814%0.14339%0.386CS..  trans-62.1129.1179.8-23.834.6000112.1R1867 T1871 L1872 V1873R1867-P1869 WeakPolarHBondContact O-CD 3.44Å; P1869-T1871 WeakPolarHBondContact CB-OG1 3.5Å; P1869-T1871 PolarHBondContact O-N 3.47Å; P1869-L1872 HydrophobicContact CB-CB 4.08Å; P1869-L1872 WeakPolarHBondContact O-CB 3.44Å; P1869-L1872 PolarHBondContact O-N 3.13Å; P1869-V1873 PolarHBondContact O-N 2.94Å; P1869-V1873 VanDerWaalsContact O-N 3.15Å
1870V77.7Confident74.2Confident108 Ų10866.5 Ų66.566%0.65538%0.377SS*.Hα-helixtrans-59.1-38.3179.4-178.40000111.3I1868 L1872 V1873 V1874I1868-V1870 PolarHBondContact O-N 3.46Å; V1870-L1872 VanDerWaalsContact C-N 3.33Å; V1870-L1872 PolarHBondContact O-N 3.41Å; V1870-V1873 PolarHBondContact O-N 2.86Å; V1870-V1874 HydrophobicContact CG1-CG2 4.44Å; V1870-V1874 WeakPolarHBondContact O-CG2 3.48Å; V1870-V1874 PolarHBondContact O-N 3.44Å
1871T79.8Confident75.6Confident14 Ų1466.3 Ų66.39%0.08638%0.376CS..Hα-helixtrans-51.2-47170.644.80000112.6F1851 P1869 M1875 M1920F1851-T1871 PolarHBondContact O-OG1 2.83Å; P1869-T1871 WeakPolarHBondContact CB-OG1 3.5Å; P1869-T1871 PolarHBondContact O-N 3.47Å; T1871-M1875 WeakPolarHBondContact O-CB 3.14Å; T1871-M1875 VanDerWaalsContact O-CG 3.26Å; T1871-M1875 WeakPolarHBondContact O-CG 3.38Å; T1871-M1875 PolarHBondContact O-N 3.07Å; T1871-M1920 HydrophobicContact CG2-CB 4.48Å; T1871-M1920 HydrophobicContact CG2-CE 3.76Å; T1871-M1920 HydrophobicContact CG2-SD 4.11Å
1872L79.8Confident76.8Confident18 Ų1863.7 Ų63.79%0.09436%0.363CS..Hα-helixtrans-66.8-42.9178.6178.569.2000111.8M1844 F1851 P1869 V1870 M1875 L1876M1844-L1872 HydrophobicContact CB-CD1 4.27Å; M1844-L1872 WeakPolarHBondContact O-CD1 3.33Å; F1851-L1872 HydrophobicContact CB-CB 4.48Å; F1851-L1872 HydrophobicContact CD2-CD1 4.07Å; P1869-L1872 HydrophobicContact CB-CB 4.08Å; P1869-L1872 WeakPolarHBondContact O-CB 3.44Å; P1869-L1872 PolarHBondContact O-N 3.13Å; V1870-L1872 VanDerWaalsContact C-N 3.33Å; V1870-L1872 PolarHBondContact O-N 3.41Å; L1872-M1875 PolarHBondContact O-N 2.94Å; L1872-L1876 VanDerWaalsContact O-CB 3.32Å; L1872-L1876 WeakPolarHBondContact O-CB 3.49Å; L1872-L1876 PolarHBondContact O-N 3.45Å
1873V81Confident78Confident71 Ų7164.3 Ų64.343%0.4337%0.366SS..Hα-helixtrans-61.6-46.6178.4-178.90000110.5I1868 P1869 V1870 M1875 L1876 V1877I1868-V1873 HydrophobicContact CG2-CG2 3.62Å; P1869-V1873 PolarHBondContact O-N 2.94Å; P1869-V1873 VanDerWaalsContact O-N 3.15Å; V1870-V1873 PolarHBondContact O-N 2.86Å; V1873-M1875 PolarHBondContact O-N 2.95Å; V1873-L1876 PolarHBondContact O-N 3.24Å; V1873-V1877 HydrophobicContact CG1-CG2 4.49Å; V1873-V1877 WeakPolarHBondContact O-CB 3.31Å; V1873-V1877 WeakPolarHBondContact O-CG2 3.5Å; V1873-V1877 PolarHBondContact O-N 3.21Å
1874V83.4Confident79.2Confident74 Ų7462.5 Ų62.545%0.44835%0.352SS..Hα-helixtrans-61.5-43.1176.8172.60000111.3V1870 G1878 W1912V1870-V1874 HydrophobicContact CG1-CG2 4.44Å; V1870-V1874 WeakPolarHBondContact O-CG2 3.48Å; V1870-V1874 PolarHBondContact O-N 3.44Å; V1874-G1878 PolarHBondContact O-N 3.47Å; V1874-W1912 HydrophobicContact CG1-CH2 3.89Å; V1874-W1912 HydrophobicContact CG1-CZ2 4.25Å
1875M82.4Confident80.6Confident20 Ų2061.3 Ų61.310%0.09935%0.35CS..Hα-helixtrans-68.1-39178.3-73.4178.163.200113.1M1844 F1851 T1871 L1872 V1873 M1879 W1912 L1934M1844-M1875 HydrophobicContact CG-CE 4.42Å; M1844-M1875 HydrophobicContact SD-CB 3.9Å; M1844-M1875 HydrophobicContact SD-CE 4.02Å; F1851-M1875 HydrophobicContact CD1-CE 4.19Å; F1851-M1875 HydrophobicContact CD1-SD 3.83Å; F1851-M1875 HydrophobicContact CE1-CE 3.59Å; F1851-M1875 HydrophobicContact CE1-SD 3.86Å; F1851-M1875 HydrophobicContact CZ-CE 3.99Å; T1871-M1875 WeakPolarHBondContact O-CB 3.14Å; T1871-M1875 VanDerWaalsContact O-CG 3.26Å; T1871-M1875 WeakPolarHBondContact O-CG 3.38Å; T1871-M1875 PolarHBondContact O-N 3.07Å; L1872-M1875 PolarHBondContact O-N 2.94Å; V1873-M1875 PolarHBondContact O-N 2.95Å; M1875-M1879 WeakPolarHBondContact O-CB 3.44Å; M1875-M1879 WeakPolarHBondContact O-CG 3.37Å; M1875-M1879 PolarHBondContact O-N 3.01Å; M1875-W1912 HydrophobicContact CG-CZ2 4.11Å; M1875-W1912 PolarHBondContact SD-NE1 3.02Å; M1875-W1912 VanDerWaalsContact SD-NE1 3.36Å; M1875-L1934 HydrophobicContact CE-CD1 3.6Å
1876L84.8Confident81.8Confident56 Ų5659 Ų5929%0.29333%0.33SS..Hα-helixtrans-67.4-48178.9-166.1158.5000110.9F1841 L1872 V1873 M1879 T1880F1841-L1876 HydrophobicContact CE2-CD1 4.35Å; F1841-L1876 HydrophobicContact CE2-CD2 3.77Å; F1841-L1876 HydrophobicContact CE2-CG 3.75Å; F1841-L1876 HydrophobicContact CZ-CD1 4.35Å; F1841-L1876 HydrophobicContact CZ-CD2 4.19Å; F1841-L1876 HydrophobicContact CZ-CG 4.22Å; L1872-L1876 VanDerWaalsContact O-CB 3.32Å; L1872-L1876 WeakPolarHBondContact O-CB 3.49Å; L1872-L1876 PolarHBondContact O-N 3.45Å; V1873-L1876 PolarHBondContact O-N 3.24Å; L1876-M1879 PolarHBondContact O-N 2.79Å; L1876-T1880 HydrophobicContact CD2-CG2 4.21Å; L1876-T1880 PolarHBondContact O-N 3.33Å; L1876-T1880 PolarHBondContact O-OG1 3.45Å
1877V86.6Confident82.9Confident74 Ų7456.3 Ų56.345%0.44830%0.304SS..Hα-helixtrans-64.5-41.1175.8174.50000111.4V1873 M1879 T1880 L1881V1873-V1877 HydrophobicContact CG1-CG2 4.49Å; V1873-V1877 WeakPolarHBondContact O-CB 3.31Å; V1873-V1877 WeakPolarHBondContact O-CG2 3.5Å; V1873-V1877 PolarHBondContact O-N 3.21Å; V1877-M1879 VanDerWaalsContact C-N 3.3Å; V1877-M1879 PolarHBondContact O-N 3.06Å; V1877-T1880 PolarHBondContact O-N 3.13Å; V1877-T1880 PolarHBondContact O-OG1 3.28Å; V1877-T1880 VanDerWaalsContact O-OG1 3.07Å; V1877-L1881 HydrophobicContact CG1-CD1 4.03Å; V1877-L1881 WeakPolarHBondContact O-CB 3.32Å; V1877-L1881 VanDerWaalsContact O-CG 3.31Å; V1877-L1881 WeakPolarHBondContact O-CG 3.28Å; V1877-L1881 PolarHBondContact O-N 3.18Å; V1877-L1881 VanDerWaalsContact O-N 3.09Å
1878G87Confident84.1Confident39 Ų3948.5 Ų48.540%0.40228%0.278SS..Hα-helixtrans-60.1-39.2175.500000112.8V1874 A1882V1874-G1878 PolarHBondContact O-N 3.47Å; G1878-A1882 VanDerWaalsContact O-CB 3.31Å; G1878-A1882 WeakPolarHBondContact O-CB 3.46Å; G1878-A1882 PolarHBondContact O-N 3.4Å
1879M88.1Confident85.2Confident24 Ų2444.4 Ų44.412%0.11826%0.257CS..Hα-helixtrans-78.6-33.7179.3-79.5-73.8-66.100114C1840 M1844 M1875 L1876 V1877 A1882 I1883 K1938C1840-M1879 HydrophobicContact CB-CE 3.6Å; M1844-M1879 HydrophobicContact CE-CB 3.66Å; M1844-M1879 HydrophobicContact CE-CG 3.59Å; M1844-M1879 HydrophobicContact SD-CG 4.04Å; M1875-M1879 WeakPolarHBondContact O-CB 3.44Å; M1875-M1879 WeakPolarHBondContact O-CG 3.37Å; M1875-M1879 PolarHBondContact O-N 3.01Å; L1876-M1879 PolarHBondContact O-N 2.79Å; V1877-M1879 VanDerWaalsContact C-N 3.3Å; V1877-M1879 PolarHBondContact O-N 3.06Å; M1879-A1882 PolarHBondContact O-N 3.31Å; M1879-I1883 VanDerWaalsContact O-CG1 3.3Å; M1879-I1883 WeakPolarHBondContact O-CG1 3.46Å; M1879-I1883 PolarHBondContact O-N 2.85Å; M1879-K1938 HydrophobicContact CE-CD 4.46Å
1880T86.9Confident85.9Confident51 Ų5143.9 Ų43.931%0.31325%0.252SS..Hα-helixtrans-65.2-41.8171.954.10000110.9F1841 L1876 V1877 I1883 I1884F1841-T1880 HydrophobicContact CD2-CG2 4.33Å; F1841-T1880 HydrophobicContact CE2-CG2 3.76Å; L1876-T1880 HydrophobicContact CD2-CG2 4.21Å; L1876-T1880 PolarHBondContact O-N 3.33Å; L1876-T1880 PolarHBondContact O-OG1 3.45Å; V1877-T1880 PolarHBondContact O-N 3.13Å; V1877-T1880 PolarHBondContact O-OG1 3.28Å; V1877-T1880 VanDerWaalsContact O-OG1 3.07Å; T1880-I1883 PolarHBondContact O-N 3.15Å; T1880-I1884 WeakPolarHBondContact O-CD1 3.35Å; T1880-I1884 VanDerWaalsContact O-CG1 3.28Å; T1880-I1884 WeakPolarHBondContact O-CG1 3.34Å; T1880-I1884 PolarHBondContact O-N 2.95Å
1881L88Confident86.2Confident95 Ų9540.4 Ų40.450%0.49723%0.23SC..Hα-helixtrans-61.1-43.2171.1-69.1171.6000111.9V1877 I1883 I1884 I1885V1877-L1881 HydrophobicContact CG1-CD1 4.03Å; V1877-L1881 WeakPolarHBondContact O-CB 3.32Å; V1877-L1881 VanDerWaalsContact O-CG 3.31Å; V1877-L1881 WeakPolarHBondContact O-CG 3.28Å; V1877-L1881 PolarHBondContact O-N 3.18Å; V1877-L1881 VanDerWaalsContact O-N 3.09Å; L1881-I1883 VanDerWaalsContact C-N 3.31Å; L1881-I1883 PolarHBondContact O-N 2.9Å; L1881-I1884 PolarHBondContact O-N 2.89Å; L1881-I1885 WeakPolarHBondContact O-CB 3.35Å; L1881-I1885 VanDerWaalsContact O-CG1 3.27Å; L1881-I1885 WeakPolarHBondContact O-CG1 3.35Å; L1881-I1885 PolarHBondContact O-N 2.81Å
1882A88.6Confident86.5Confident5 Ų546.3 Ų46.34%0.04125%0.25CS..Hα-helixtrans-60.9-37.3177.700000113.1G1878 M1879 D1886 Y1901 M1905G1878-A1882 VanDerWaalsContact O-CB 3.31Å; G1878-A1882 WeakPolarHBondContact O-CB 3.46Å; G1878-A1882 PolarHBondContact O-N 3.4Å; M1879-A1882 PolarHBondContact O-N 3.31Å; A1882-D1886 WeakPolarHBondContact O-CB 3.41Å; A1882-D1886 PolarHBondContact O-N 3.2Å; A1882-Y1901 PolarHBondContact O-OH 3.48Å; A1882-M1905 HydrophobicContact CB-CE 4.11Å
1883I89.1Confident86.7Confident30 Ų3048.7 Ų48.715%0.15426%0.26CS..Hα-helixtrans-69.2-42.5175.6-70.4164.7000111.2F1834 D1837 M1879 T1880 L1881 D1886 R1887F1834-I1883 HydrophobicContact CD2-CG2 4.14Å; F1834-I1883 HydrophobicContact CE2-CG2 3.9Å; D1837-I1883 HydrophobicContact CB-CD1 4.17Å; D1837-I1883 HydrophobicContact CB-CG1 3.96Å; M1879-I1883 VanDerWaalsContact O-CG1 3.3Å; M1879-I1883 WeakPolarHBondContact O-CG1 3.46Å; M1879-I1883 PolarHBondContact O-N 2.85Å; T1880-I1883 PolarHBondContact O-N 3.15Å; L1881-I1883 VanDerWaalsContact C-N 3.31Å; L1881-I1883 PolarHBondContact O-N 2.9Å; I1883-D1886 PolarHBondContact O-N 3.45Å; I1883-R1887 PolarHBondContact O-N 2.74Å
1884I89.4Confident87Confident58 Ų5847.5 Ų47.530%0.29725%0.254SS..Hα-helixtrans-63-43.8177-66.3163.7000110.6T1880 L1881 R1887 A1888 I1990T1880-I1884 WeakPolarHBondContact O-CD1 3.35Å; T1880-I1884 VanDerWaalsContact O-CG1 3.28Å; T1880-I1884 WeakPolarHBondContact O-CG1 3.34Å; T1880-I1884 PolarHBondContact O-N 2.95Å; L1881-I1884 PolarHBondContact O-N 2.89Å; I1884-R1887 PolarHBondContact O-N 3.39Å; I1884-A1888 WeakPolarHBondContact O-CB 3.37Å; I1884-A1888 PolarHBondContact O-N 3.42Å; I1884-I1990 HydrophobicContact CG1-CD1 3.92Å; I1884-I1990 HydrophobicContact CG2-CD1 4.47Å
1885I89.8Confident87Confident84 Ų8445.6 Ų45.643%0.43124%0.243SC..Hα-helixtrans-64.1-40176.9-67.8164.8000111.1L1881 A1888 L1889 Y1901L1881-I1885 WeakPolarHBondContact O-CB 3.35Å; L1881-I1885 VanDerWaalsContact O-CG1 3.27Å; L1881-I1885 WeakPolarHBondContact O-CG1 3.35Å; L1881-I1885 PolarHBondContact O-N 2.81Å; I1885-A1888 PolarHBondContact O-N 2.74Å; I1885-L1889 HydrophobicContact CG2-CD1 4.03Å; I1885-L1889 HydrophobicContact CG2-CG 4.45Å; I1885-L1889 WeakPolarHBondContact O-CB 3.45Å; I1885-L1889 WeakPolarHBondContact O-CG 3.34Å; I1885-L1889 PolarHBondContact O-N 3.33Å; I1885-Y1901 HydrophobicContact CB-CE2 4.21Å; I1885-Y1901 HydrophobicContact CG2-CD2 3.67Å; I1885-Y1901 HydrophobicContact CG2-CE2 3.7Å
1886D89.8Confident87.3Confident3 Ų348.5 Ų48.52%0.01626%0.261CS..Hα-helixtrans-64.7-45.2176.2-161.63.3000111.9Y1830 A1882 I1883 A1888 L1889 Y1890 K1898 Y1941Y1830-D1886 HydrophobicContact CE2-CB 4.47Å; A1882-D1886 WeakPolarHBondContact O-CB 3.41Å; A1882-D1886 PolarHBondContact O-N 3.2Å; I1883-D1886 PolarHBondContact O-N 3.45Å; D1886-A1888 VanDerWaalsContact C-N 3.31Å; D1886-A1888 PolarHBondContact O-N 3.14Å; D1886-L1889 PolarHBondContact O-N 2.83Å; D1886-Y1890 WeakPolarHBondContact O-CB 3.35Å; D1886-Y1890 PolarHBondContact O-N 3.04Å; D1886-K1898 IonicContact OD1-NZ 3.61Å; D1886-K1898 PolarHBondContact OD1-NZ 3.22Å; D1886-K1898 IonicContact OD2-NZ 3.7Å; D1886-K1898 PolarHBondContact OD2-NZ 3.13Å; D1886-K1898 VanDerWaalsContact OD2-NZ 3.09Å; D1886-Y1941 WeakPolarHBondContact OD2-CE2 3.45Å; D1886-Y1941 PolarHBondContact OD2-OH 2.93Å
1887R88.6Confident87.4Confident45 Ų4546.8 Ų46.817%0.1726%0.257CS..Hα-helixtrans-60.5-40.5175.7-173.755.8171.3-177.6-2.4111.8Y1830 I1883 I1884 Y1890 L1891 I1990 D1991Y1830-R1887 WeakPolarHBondContact OH-CA 3.22Å; Y1830-R1887 WeakPolarHBondContact OH-CB 3.38Å; Y1830-R1887 WeakPolarHBondContact OH-CD 3.18Å; I1883-R1887 PolarHBondContact O-N 2.74Å; I1884-R1887 PolarHBondContact O-N 3.39Å; R1887-Y1890 PolarHBondContact O-N 2.88Å; R1887-L1891 HydrophobicContact CG-CD1 4.02Å; R1887-L1891 HydrophobicContact CG-CG 4.48Å; R1887-L1891 WeakPolarHBondContact O-CB 3.35Å; R1887-L1891 VanDerWaalsContact O-CG 3.31Å; R1887-L1891 WeakPolarHBondContact O-CG 3.26Å; R1887-L1891 PolarHBondContact O-N 3.25Å; R1887-I1990 HydrophobicContact CB-CG2 4.14Å; R1887-I1990 HydrophobicContact CG-CG2 3.54Å; R1887-D1991 IonicContact CZ-OD1 3.76Å; R1887-D1991 IonicContact NE-OD1 3.33Å; R1887-D1991 PolarHBondContact NE-OD1 3.45Å; R1887-D1991 IonicContact NH2-OD1 3.45Å; R1887-D1991 PolarHBondContact NH2-OD1 3.13Å; R1887-D1991 IonicContact NH2-OD2 3.36Å; R1887-D1991 PolarHBondContact NH2-OD2 3.37Å
1888A87.5Confident87.6Confident12 Ų1243.2 Ų43.210%0.09924%0.236CC..Hα-helixtrans-64.4-44.3175.800000112.4I1884 I1885 D1886 L1891 R1892 W1994I1884-A1888 WeakPolarHBondContact O-CB 3.37Å; I1884-A1888 PolarHBondContact O-N 3.42Å; I1885-A1888 PolarHBondContact O-N 2.74Å; D1886-A1888 VanDerWaalsContact C-N 3.31Å; D1886-A1888 PolarHBondContact O-N 3.14Å; A1888-L1891 PolarHBondContact O-N 2.81Å; A1888-R1892 WeakPolarHBondContact O-CB 3.29Å; A1888-R1892 WeakPolarHBondContact O-CG 3.28Å; A1888-R1892 PolarHBondContact O-N 3.45Å; A1888-W1994 HydrophobicContact CB-CD2 3.89Å; A1888-W1994 HydrophobicContact CB-CG 4.21Å; A1888-W1994 HydrophobicContact CB-CZ2 3.9Å
1889L89Confident87.7Confident29 Ų2942.6 Ų42.615%0.15222%0.223CC..Hα-helixtrans-64.6-38176.8-74.2172000112.5I1885 D1886 K1893 S1894 K1898 Y1901I1885-L1889 HydrophobicContact CG2-CD1 4.03Å; I1885-L1889 HydrophobicContact CG2-CG 4.45Å; I1885-L1889 WeakPolarHBondContact O-CB 3.45Å; I1885-L1889 WeakPolarHBondContact O-CG 3.34Å; I1885-L1889 PolarHBondContact O-N 3.33Å; D1886-L1889 PolarHBondContact O-N 2.83Å; L1889-K1893 PolarHBondContact O-N 3.49Å; L1889-K1893 VanDerWaalsContact O-N 3.09Å; L1889-S1894 PolarHBondContact O-N 2.9Å; L1889-S1894 VanDerWaalsContact O-N 3.1Å; L1889-K1898 HydrophobicContact CD1-CD 4.45Å; L1889-Y1901 HydrophobicContact CD1-CD2 4.11Å; L1889-Y1901 HydrophobicContact CD1-CG 3.99Å
1890Y87.5Confident87.8Confident12 Ų1246.1 Ų46.15%0.04724%0.241CC..Hα-helixtrans-63.9-51.6173.2172-97.9000112.1Y1830 D1886 R1887 R1892 K1893 Y1953 C1957Y1830-Y1890 VanDerWaalsContact CB-CD2 3.41Å; Y1830-Y1890 VanDerWaalsContact CB-CE2 3.46Å; Y1830-Y1890 HydrophobicContact CD1-CD1 4.16Å; Y1830-Y1890 HydrophobicContact CD1-CD2 4.21Å; Y1830-Y1890 HydrophobicContact CD1-CE1 4.32Å; Y1830-Y1890 HydrophobicContact CD1-CE2 4.36Å; Y1830-Y1890 HydrophobicContact CD1-CG 4.11Å; Y1830-Y1890 HydrophobicContact CD2-CD1 4.38Å; Y1830-Y1890 AromaticContact CD2-CD2 3.66Å; Y1830-Y1890 HydrophobicContact CD2-CD2 3.66Å; Y1830-Y1890 HydrophobicContact CD2-CE2 4.49Å; Y1830-Y1890 AromaticContact CD2-CG 3.59Å; Y1830-Y1890 HydrophobicContact CD2-CG 3.59Å; Y1830-Y1890 HydrophobicContact CE1-CD1 4.47Å; Y1830-Y1890 HydrophobicContact CE2-CG 4.08Å; Y1830-Y1890 HydrophobicContact CG-CD1 4.15Å; Y1830-Y1890 AromaticContact CG-CD2 3.46Å; Y1830-Y1890 HydrophobicContact CG-CD2 3.46Å; Y1830-Y1890 VanDerWaalsContact CG-CD2 3.46Å; Y1830-Y1890 HydrophobicContact CG-CE1 4.49Å; Y1830-Y1890 AromaticContact CG-CE2 3.84Å; Y1830-Y1890 HydrophobicContact CG-CE2 3.84Å; Y1830-Y1890 AromaticContact CG-CG 3.63Å; Y1830-Y1890 HydrophobicContact CG-CG 3.63Å; D1886-Y1890 WeakPolarHBondContact O-CB 3.35Å; D1886-Y1890 PolarHBondContact O-N 3.04Å; R1887-Y1890 PolarHBondContact O-N 2.88Å; Y1890-R1892 VanDerWaalsContact C-N 3.3Å; Y1890-R1892 PolarHBondContact O-N 3.35Å; Y1890-K1893 WeakPolarHBondContact O-CA 3.24Å; Y1890-K1893 PolarHBondContact O-N 3.11Å; Y1890-Y1953 HydrophobicContact CD2-CD1 4.02Å; Y1890-Y1953 AromaticContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CE2-CD1 4.36Å; Y1890-C1957 HydrophobicContact CE1-CB 4.43Å; Y1890-C1957 PolarHBondContact OH-SG 3.13Å; Y1890-C1957 VanDerWaalsContact OH-SG 3.41Å
1891L83.2Confident88Confident35 Ų3544.6 Ų44.618%0.18323%0.23CC..Hα-helixtrans-64.6-34.3-179.8-69.1172.4000112.1R1887 A1888 K1893 W1994R1887-L1891 HydrophobicContact CG-CD1 4.02Å; R1887-L1891 HydrophobicContact CG-CG 4.48Å; R1887-L1891 WeakPolarHBondContact O-CB 3.35Å; R1887-L1891 VanDerWaalsContact O-CG 3.31Å; R1887-L1891 WeakPolarHBondContact O-CG 3.26Å; R1887-L1891 PolarHBondContact O-N 3.25Å; A1888-L1891 PolarHBondContact O-N 2.81Å; L1891-K1893 PolarHBondContact O-N 3.35Å; L1891-W1994 HydrophobicContact CB-CB 4.03Å; L1891-W1994 HydrophobicContact CD1-CB 3.77Å
1892R85.3Confident88.1Confident137 Ų13740.1 Ų40.152%0.51721%0.207SC..THydrogen-bonded Turntrans-77.9-0.7170.2-69.2-63.8-162-162.70.6114.2A1888 Y1890 S1894 W1994 D1996A1888-R1892 WeakPolarHBondContact O-CB 3.29Å; A1888-R1892 WeakPolarHBondContact O-CG 3.28Å; A1888-R1892 PolarHBondContact O-N 3.45Å; Y1890-R1892 VanDerWaalsContact C-N 3.3Å; Y1890-R1892 PolarHBondContact O-N 3.35Å; R1892-S1894 PolarHBondContact O-N 3.32Å; R1892-S1894 VanDerWaalsContact O-N 3.07Å; R1892-W1994 HydrophobicContact CG-CE3 4.21Å; R1892-D1996 IonicContact NH1-OD1 2.69Å
1893K84.9Confident88Confident69 Ų6943 Ų4330%0.322%0.224SC..THydrogen-bonded Turntrans51.828.5178.3-59.3172.8-177.2171.30114L1889 Y1890 L1891 V1895 Y1953 E1955 C1957 E2404L1889-K1893 PolarHBondContact O-N 3.49Å; L1889-K1893 VanDerWaalsContact O-N 3.09Å; Y1890-K1893 WeakPolarHBondContact O-CA 3.24Å; Y1890-K1893 PolarHBondContact O-N 3.11Å; L1891-K1893 PolarHBondContact O-N 3.35Å; K1893-V1895 PolarHBondContact O-N 2.71Å; K1893-Y1953 WeakPolarHBondContact O-CD2 3.23Å; K1893-E1955 PolarHBondContact NZ-O 2.9Å; K1893-C1957 VanDerWaalsContact CE-SG 3.54Å; K1893-E2404 IonicContact NZ-OE1 3.26Å; K1893-E2404 PolarHBondContact NZ-OE1 2.96Å
1894S86.9Confident88.1Confident45 Ų4547.1 Ų47.132%0.31525%0.245SC..  trans-92.397.4-167.4-174.50000113.8L1889 R1892 G1897 K1898L1889-S1894 PolarHBondContact O-N 2.9Å; L1889-S1894 VanDerWaalsContact O-N 3.1Å; R1892-S1894 PolarHBondContact O-N 3.32Å; R1892-S1894 VanDerWaalsContact O-N 3.07Å; S1894-G1897 PolarHBondContact OG-N 3.04Å; S1894-K1898 WeakPolarHBondContact O-CB 3.39Å; S1894-K1898 PolarHBondContact O-N 3.08Å
1895V84.7Confident88.1Confident34 Ų3446.1 Ų46.121%0.20624%0.24CC..Hα-helixtrans-65.6-37.6178.8-173.60000112.4F1819 K1893 K1898 L1899 I1949 Y1953F1819-V1895 HydrophobicContact CD1-CG1 4.42Å; F1819-V1895 HydrophobicContact CE1-CG1 4.23Å; K1893-V1895 PolarHBondContact O-N 2.71Å; V1895-K1898 PolarHBondContact O-N 3.06Å; V1895-L1899 PolarHBondContact O-N 2.98Å; V1895-I1949 HydrophobicContact CG1-CG2 4.07Å; V1895-Y1953 HydrophobicContact CG2-CD2 3.78Å; V1895-Y1953 HydrophobicContact CG2-CE2 4.21Å
1896V87.1Confident88.1Confident81 Ų8142.1 Ų42.149%0.49122%0.219SC..Hα-helixtrans-66.2-46.4178.3-179.10000111F1819 K1898 L1899 I1900F1819-V1896 HydrophobicContact CE1-CG2 4.19Å; F1819-V1896 HydrophobicContact CZ-CG2 3.99Å; V1896-K1898 VanDerWaalsContact C-N 3.25Å; V1896-K1898 PolarHBondContact O-N 2.88Å; V1896-L1899 PolarHBondContact O-N 3.02Å; V1896-I1900 HydrophobicContact CG1-CD1 4.18Å; V1896-I1900 WeakPolarHBondContact O-CG1 3.46Å; V1896-I1900 PolarHBondContact O-N 2.85Å; V1896-I1900 VanDerWaalsContact O-N 3.11Å
1897G88.1Confident88Confident20 Ų2044.1 Ų44.121%0.20624%0.237CC..Hα-helixtrans-60.2-37.617400000112S1894 I1900 Y1901S1894-G1897 PolarHBondContact OG-N 3.04Å; G1897-I1900 PolarHBondContact O-N 3.42Å; G1897-Y1901 VanDerWaalsContact O-CB 3.3Å; G1897-Y1901 WeakPolarHBondContact O-CB 3.47Å; G1897-Y1901 PolarHBondContact O-N 2.99Å
1898K89.9Confident88Confident0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-66.7-38.6176.4-169.565.2-173.4177.10113.5D1886 L1889 S1894 V1895 V1896 Y1901 Q1902 Y1941 S1945 I1949 Y1953D1886-K1898 IonicContact OD1-NZ 3.61Å; D1886-K1898 PolarHBondContact OD1-NZ 3.22Å; D1886-K1898 IonicContact OD2-NZ 3.7Å; D1886-K1898 PolarHBondContact OD2-NZ 3.13Å; D1886-K1898 VanDerWaalsContact OD2-NZ 3.09Å; L1889-K1898 HydrophobicContact CD1-CD 4.45Å; S1894-K1898 WeakPolarHBondContact O-CB 3.39Å; S1894-K1898 PolarHBondContact O-N 3.08Å; V1895-K1898 PolarHBondContact O-N 3.06Å; V1896-K1898 VanDerWaalsContact C-N 3.25Å; V1896-K1898 PolarHBondContact O-N 2.88Å; K1898-Y1901 HydrophobicContact CD-CD1 4.39Å; K1898-Q1902 WeakPolarHBondContact O-CB 3.33Å; K1898-Q1902 PolarHBondContact O-N 3.39Å; K1898-Y1941 PolarHBondContact NZ-OH 3.04Å; K1898-S1945 WeakPolarHBondContact CE-OG 3.39Å; K1898-I1949 HydrophobicContact CB-CG1 4.46Å; K1898-I1949 HydrophobicContact CG-CD1 4.21Å; K1898-I1949 HydrophobicContact CG-CG1 3.98Å; K1898-Y1953 WeakPolarHBondContact CG-OH 3.42Å
1899L88.8Confident87.9Confident26 Ų2647.2 Ų47.214%0.13625%0.25CC..Hα-helixtrans-65-45.7175-17963.1000111.7L1645 L1818 F1819 V1895 V1896 Q1902 V1903 I1949L1645-L1899 HydrophobicContact CD1-CD1 4.23Å; L1818-L1899 HydrophobicContact CD2-CD1 4.44Å; L1818-L1899 HydrophobicContact CD2-CD2 4.18Å; F1819-L1899 HydrophobicContact CE1-CD2 4.26Å; F1819-L1899 HydrophobicContact CZ-CD2 3.8Å; V1895-L1899 PolarHBondContact O-N 2.98Å; V1896-L1899 PolarHBondContact O-N 3.02Å; L1899-Q1902 PolarHBondContact O-N 3.36Å; L1899-V1903 WeakPolarHBondContact O-CG2 3.35Å; L1899-V1903 PolarHBondContact O-N 3.41Å; L1899-I1949 HydrophobicContact CB-CD1 4.3Å; L1899-I1949 HydrophobicContact CD1-CD1 4.16Å
1900I90.4Very high87.8Confident97 Ų9746.5 Ų46.550%0.49725%0.245SC..Hα-helixtrans-60.3-48.5176.6-65.6167.2000110.3V1896 G1897 Q1902 V1903 L1904V1896-I1900 HydrophobicContact CG1-CD1 4.18Å; V1896-I1900 WeakPolarHBondContact O-CG1 3.46Å; V1896-I1900 PolarHBondContact O-N 2.85Å; V1896-I1900 VanDerWaalsContact O-N 3.11Å; G1897-I1900 PolarHBondContact O-N 3.42Å; I1900-Q1902 VanDerWaalsContact C-N 3.33Å; I1900-Q1902 PolarHBondContact O-N 2.91Å; I1900-V1903 PolarHBondContact O-N 3.09Å; I1900-L1904 HydrophobicContact CG2-CD1 3.91Å; I1900-L1904 HydrophobicContact CG2-CG 4.48Å; I1900-L1904 WeakPolarHBondContact O-CG 3.38Å; I1900-L1904 PolarHBondContact O-N 3.5Å
1901Y90.9Very high87.8Confident19 Ų1950.3 Ų50.38%0.07527%0.266CS..Hα-helixtrans-55.6-45.1174.6172.8-85.4000112A1882 I1885 L1889 G1897 K1898 L1904 M1905 Y1941A1882-Y1901 PolarHBondContact O-OH 3.48Å; I1885-Y1901 HydrophobicContact CB-CE2 4.21Å; I1885-Y1901 HydrophobicContact CG2-CD2 3.67Å; I1885-Y1901 HydrophobicContact CG2-CE2 3.7Å; L1889-Y1901 HydrophobicContact CD1-CD2 4.11Å; L1889-Y1901 HydrophobicContact CD1-CG 3.99Å; G1897-Y1901 VanDerWaalsContact O-CB 3.3Å; G1897-Y1901 WeakPolarHBondContact O-CB 3.47Å; G1897-Y1901 PolarHBondContact O-N 2.99Å; K1898-Y1901 HydrophobicContact CD-CD1 4.39Å; Y1901-L1904 PolarHBondContact O-N 2.92Å; Y1901-M1905 HydrophobicContact CD1-CG 4.18Å; Y1901-M1905 HydrophobicContact CD2-CG 4.26Å; Y1901-M1905 HydrophobicContact CE1-CG 3.89Å; Y1901-M1905 HydrophobicContact CE2-CG 4.03Å; Y1901-M1905 HydrophobicContact CG-CG 4.35Å; Y1901-M1905 VanDerWaalsContact O-CB 3.31Å; Y1901-M1905 WeakPolarHBondContact O-CB 3.35Å; Y1901-M1905 VanDerWaalsContact O-CG 3.25Å; Y1901-M1905 WeakPolarHBondContact O-CG 3.44Å; Y1901-M1905 PolarHBondContact O-N 3.41Å; Y1901-Y1941 HydrophobicContact CE1-CE1 4.37Å; Y1901-Y1941 WeakPolarHBondContact CE1-OH 3.38Å
1902Q89.9Confident87.9Confident2 Ų250.9 Ų50.91%0.00927%0.266CS..Hα-helixtrans-64.9-42.8179.7175.4154.6-1100112.5K1898 L1899 I1900 I1906 F1942 S1945 I1949K1898-Q1902 WeakPolarHBondContact O-CB 3.33Å; K1898-Q1902 PolarHBondContact O-N 3.39Å; L1899-Q1902 PolarHBondContact O-N 3.36Å; I1900-Q1902 VanDerWaalsContact C-N 3.33Å; I1900-Q1902 PolarHBondContact O-N 2.91Å; Q1902-I1906 HydrophobicContact CG-CD1 3.6Å; Q1902-I1906 HydrophobicContact CG-CG1 4.32Å; Q1902-I1906 WeakPolarHBondContact O-CB 3.49Å; Q1902-I1906 WeakPolarHBondContact O-CD1 3.49Å; Q1902-I1906 VanDerWaalsContact O-CG1 3.23Å; Q1902-I1906 WeakPolarHBondContact O-CG1 3.28Å; Q1902-I1906 PolarHBondContact O-N 2.78Å; Q1902-F1942 HydrophobicContact CG-CD1 4.44Å; Q1902-F1942 PolarHBondContact NE2-O 3.23Å; Q1902-S1945 VanDerWaalsContact OE1-C 3.27Å; Q1902-S1945 PolarHBondContact OE1-OG 2.94Å; Q1902-I1949 HydrophobicContact CB-CD1 4.21Å; Q1902-I1949 VanDerWaalsContact OE1-CD1 3.28Å
1903V88.4Confident87.9Confident66 Ų6644.8 Ų44.840%0.424%0.244SC..Hα-helixtrans-62.7-46.9177.1173.50000111.1F1641 L1899 I1900 I1906 A1907F1641-V1903 HydrophobicContact CE1-CG2 4.16Å; L1899-V1903 WeakPolarHBondContact O-CG2 3.35Å; L1899-V1903 PolarHBondContact O-N 3.41Å; I1900-V1903 PolarHBondContact O-N 3.09Å; V1903-I1906 PolarHBondContact O-N 2.81Å; V1903-A1907 WeakPolarHBondContact O-CB 3.48Å; V1903-A1907 PolarHBondContact O-N 3.29Å; V1903-A1907 VanDerWaalsContact O-N 3.1Å
1904L90.5Very high87.8Confident116 Ų11642.8 Ų42.861%0.60724%0.235SC*.Hα-helixtrans-62.3-45.6178.4-68.8173000112I1900 Y1901 A1907 F1908I1900-L1904 HydrophobicContact CG2-CD1 3.91Å; I1900-L1904 HydrophobicContact CG2-CG 4.48Å; I1900-L1904 WeakPolarHBondContact O-CG 3.38Å; I1900-L1904 PolarHBondContact O-N 3.5Å; Y1901-L1904 PolarHBondContact O-N 2.92Å; L1904-A1907 PolarHBondContact O-N 3.08Å; L1904-F1908 WeakPolarHBondContact O-CB 3.23Å; L1904-F1908 PolarHBondContact O-N 3.43Å
1905M88.7Confident87.7Confident36 Ų3644 Ų4418%0.17724%0.237CC..Hα-helixtrans-69.6-34.3-179.1-71.3-62.9-67.900113A1882 Y1901 L1909 F1942A1882-M1905 HydrophobicContact CB-CE 4.11Å; Y1901-M1905 HydrophobicContact CD1-CG 4.18Å; Y1901-M1905 HydrophobicContact CD2-CG 4.26Å; Y1901-M1905 HydrophobicContact CE1-CG 3.89Å; Y1901-M1905 HydrophobicContact CE2-CG 4.03Å; Y1901-M1905 HydrophobicContact CG-CG 4.35Å; Y1901-M1905 VanDerWaalsContact O-CB 3.31Å; Y1901-M1905 WeakPolarHBondContact O-CB 3.35Å; Y1901-M1905 VanDerWaalsContact O-CG 3.25Å; Y1901-M1905 WeakPolarHBondContact O-CG 3.44Å; Y1901-M1905 PolarHBondContact O-N 3.41Å; M1905-L1909 WeakPolarHBondContact O-CB 3.23Å; M1905-L1909 PolarHBondContact O-N 3.44Å; M1905-F1942 HydrophobicContact CB-CE1 3.68Å; M1905-F1942 HydrophobicContact CB-CZ 3.85Å
1906I89.9Confident87.7Confident0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-64.9-47.3173.2-72.2167.1000110.2L1637 L1640 F1641 Q1902 V1903 L1909 H1910 F1942L1637-I1906 HydrophobicContact CD2-CG2 3.96Å; L1640-I1906 HydrophobicContact CB-CD1 4.19Å; L1640-I1906 HydrophobicContact CD1-CD1 4.42Å; L1640-I1906 HydrophobicContact CD1-CG2 4.41Å; F1641-I1906 HydrophobicContact CD1-CD1 4.31Å; F1641-I1906 HydrophobicContact CE1-CB 4.21Å; F1641-I1906 HydrophobicContact CE1-CD1 3.79Å; F1641-I1906 HydrophobicContact CE1-CG2 4.02Å; F1641-I1906 HydrophobicContact CE2-CG2 4.14Å; F1641-I1906 HydrophobicContact CZ-CB 4.06Å; F1641-I1906 HydrophobicContact CZ-CD1 4.41Å; F1641-I1906 HydrophobicContact CZ-CG2 3.53Å; Q1902-I1906 HydrophobicContact CG-CD1 3.6Å; Q1902-I1906 HydrophobicContact CG-CG1 4.32Å; Q1902-I1906 WeakPolarHBondContact O-CB 3.49Å; Q1902-I1906 WeakPolarHBondContact O-CD1 3.49Å; Q1902-I1906 VanDerWaalsContact O-CG1 3.23Å; Q1902-I1906 WeakPolarHBondContact O-CG1 3.28Å; Q1902-I1906 PolarHBondContact O-N 2.78Å; V1903-I1906 PolarHBondContact O-N 2.81Å; I1906-L1909 PolarHBondContact O-N 3.22Å; I1906-H1910 PolarHBondContact O-N 3.45Å; I1906-H1910 VanDerWaalsContact O-N 3.14Å; I1906-H1910 PolarHBondContact O-ND1 3.13Å; I1906-F1942 HydrophobicContact CD1-CB 4.33Å; I1906-F1942 HydrophobicContact CD1-CD1 4.37Å; I1906-F1942 HydrophobicContact CD1-CG 4.18Å; I1906-F1942 HydrophobicContact CG1-CB 4.32Å; I1906-F1942 HydrophobicContact CG1-CD1 3.79Å; I1906-F1942 HydrophobicContact CG1-CD2 3.66Å; I1906-F1942 HydrophobicContact CG1-CE1 3.95Å; I1906-F1942 HydrophobicContact CG1-CE2 3.8Å; I1906-F1942 HydrophobicContact CG1-CG 3.67Å; I1906-F1942 HydrophobicContact CG1-CZ 3.96Å
1907A87.5Confident87.5Confident46 Ų4640.8 Ų40.838%0.3822%0.218SC..Hα-helixtrans-62.7-49.1179.100000111.7V1903 L1904 L1909 H1910 I1911V1903-A1907 WeakPolarHBondContact O-CB 3.48Å; V1903-A1907 PolarHBondContact O-N 3.29Å; V1903-A1907 VanDerWaalsContact O-N 3.1Å; L1904-A1907 PolarHBondContact O-N 3.08Å; A1907-L1909 PolarHBondContact O-N 3.47Å; A1907-H1910 PolarHBondContact O-N 3.01Å; A1907-I1911 WeakPolarHBondContact O-CG1 3.22Å; A1907-I1911 PolarHBondContact O-N 2.91Å; A1907-I1911 VanDerWaalsContact O-N 3.12Å
1908F88.1Confident87.1Confident110 Ų11040.1 Ų40.148%0.48221%0.21SC..Hα-helixtrans-56.1-47.8176.5177.4-100.9000111.8L1904 H1910 I1911 W1912L1904-F1908 WeakPolarHBondContact O-CB 3.23Å; L1904-F1908 PolarHBondContact O-N 3.43Å; F1908-H1910 PolarHBondContact O-N 3.11Å; F1908-I1911 PolarHBondContact O-N 3.11Å; F1908-W1912 HydrophobicContact CE1-CB 4.42Å; F1908-W1912 HydrophobicContact CE1-CG 4.46Å; F1908-W1912 HydrophobicContact CE2-CD2 4.48Å; F1908-W1912 AromaticContact CE2-CE3 3.8Å; F1908-W1912 HydrophobicContact CE2-CE3 3.8Å; F1908-W1912 HydrophobicContact CE2-CZ3 4.33Å; F1908-W1912 HydrophobicContact CZ-CB 4.46Å; F1908-W1912 AromaticContact CZ-CD2 3.94Å; F1908-W1912 HydrophobicContact CZ-CD2 3.94Å; F1908-W1912 AromaticContact CZ-CE3 3.63Å; F1908-W1912 HydrophobicContact CZ-CE3 3.63Å; F1908-W1912 HydrophobicContact CZ-CG 4.31Å; F1908-W1912 HydrophobicContact CZ-CZ3 4.19Å; F1908-W1912 WeakPolarHBondContact O-CB 3.26Å; F1908-W1912 PolarHBondContact O-N 3.04Å
1909L86.6Confident86.8Confident12 Ų1244 Ų446%0.06323%0.231CC..Hα-helixtrans-66.1-38.8-177.2179.7141000113.1M1905 I1906 A1907 V1913 L1934 Y1935 K1938 F1942M1905-L1909 WeakPolarHBondContact O-CB 3.23Å; M1905-L1909 PolarHBondContact O-N 3.44Å; I1906-L1909 PolarHBondContact O-N 3.22Å; A1907-L1909 PolarHBondContact O-N 3.47Å; L1909-V1913 HydrophobicContact CG-CG2 4.27Å; L1909-V1913 WeakPolarHBondContact O-CB 3.45Å; L1909-V1913 WeakPolarHBondContact O-CG2 3.36Å; L1909-V1913 PolarHBondContact O-N 3.01Å; L1909-L1934 HydrophobicContact CD1-CD2 4.35Å; L1909-Y1935 HydrophobicContact CD2-CD2 3.36Å; L1909-Y1935 HydrophobicContact CD2-CE2 3.56Å; L1909-Y1935 HydrophobicContact CD2-CG 4.37Å; L1909-K1938 HydrophobicContact CD1-CB 3.7Å; L1909-K1938 HydrophobicContact CD1-CG 3.53Å; L1909-F1942 HydrophobicContact CB-CE2 4.35Å; L1909-F1942 HydrophobicContact CD1-CE2 4.08Å; L1909-F1942 HydrophobicContact CD1-CZ 4.43Å; L1909-F1942 HydrophobicContact CD2-CE2 4.3Å; L1909-F1942 HydrophobicContact CG-CE2 4.49Å
1910H86.7Confident86.5Confident13 Ų1347.1 Ų47.16%0.0625%0.245CC..Hα-helixtrans-66.7-43.8176.4-75.575.9000111.6I1906 A1907 F1908 F1914 Y1935I1906-H1910 PolarHBondContact O-N 3.45Å; I1906-H1910 VanDerWaalsContact O-N 3.14Å; I1906-H1910 PolarHBondContact O-ND1 3.13Å; A1907-H1910 PolarHBondContact O-N 3.01Å; F1908-H1910 PolarHBondContact O-N 3.11Å; H1910-F1914 AromaticContact CD2-CE2 3.98Å; H1910-F1914 WeakPolarHBondContact O-CB 3.46Å; H1910-F1914 WeakPolarHBondContact O-CD2 3.27Å; H1910-F1914 PolarHBondContact O-N 3.46Å; H1910-F1914 VanDerWaalsContact O-N 3.14Å; H1910-Y1935 AromaticContact NE2-CE2 3.73Å; H1910-Y1935 AromaticContact NE2-CZ 3.72Å; H1910-Y1935 PolarHBondContact NE2-OH 2.98Å
1911I86.8Confident85.9Confident93 Ų9343 Ų4348%0.47723%0.225SC..Hα-helixtrans-64.3-44.5176.7-66.4166.9000110.5A1907 F1908 L1915 V1916A1907-I1911 WeakPolarHBondContact O-CG1 3.22Å; A1907-I1911 PolarHBondContact O-N 2.91Å; A1907-I1911 VanDerWaalsContact O-N 3.12Å; F1908-I1911 PolarHBondContact O-N 3.11Å; I1911-L1915 WeakPolarHBondContact O-CB 3.34Å; I1911-L1915 PolarHBondContact O-N 3.2Å; I1911-V1916 HydrophobicContact CG2-CG2 4.14Å; I1911-V1916 PolarHBondContact O-N 3.3Å
1912W86.1Confident85.2Confident47 Ų4749.8 Ų49.818%0.17825%0.25CS..Iπ-helixtrans-66.1-47.6-177.7-167-92000112.4V1874 M1875 F1908 V1916 L1917V1874-W1912 HydrophobicContact CG1-CH2 3.89Å; V1874-W1912 HydrophobicContact CG1-CZ2 4.25Å; M1875-W1912 HydrophobicContact CG-CZ2 4.11Å; M1875-W1912 PolarHBondContact SD-NE1 3.02Å; M1875-W1912 VanDerWaalsContact SD-NE1 3.36Å; F1908-W1912 HydrophobicContact CE1-CB 4.42Å; F1908-W1912 HydrophobicContact CE1-CG 4.46Å; F1908-W1912 HydrophobicContact CE2-CD2 4.48Å; F1908-W1912 AromaticContact CE2-CE3 3.8Å; F1908-W1912 HydrophobicContact CE2-CE3 3.8Å; F1908-W1912 HydrophobicContact CE2-CZ3 4.33Å; F1908-W1912 HydrophobicContact CZ-CB 4.46Å; F1908-W1912 AromaticContact CZ-CD2 3.94Å; F1908-W1912 HydrophobicContact CZ-CD2 3.94Å; F1908-W1912 AromaticContact CZ-CE3 3.63Å; F1908-W1912 HydrophobicContact CZ-CE3 3.63Å; F1908-W1912 HydrophobicContact CZ-CG 4.31Å; F1908-W1912 HydrophobicContact CZ-CZ3 4.19Å; F1908-W1912 WeakPolarHBondContact O-CB 3.26Å; F1908-W1912 PolarHBondContact O-N 3.04Å; W1912-V1916 HydrophobicContact CD2-CB 4.45Å; W1912-V1916 HydrophobicContact CD2-CG1 4.44Å; W1912-V1916 HydrophobicContact CE3-CB 4.28Å; W1912-V1916 HydrophobicContact CE3-CG1 4.09Å; W1912-V1916 HydrophobicContact CE3-CG2 4.38Å; W1912-V1916 HydrophobicContact CH2-CG1 4.49Å; W1912-V1916 HydrophobicContact CZ3-CG1 4.12Å; W1912-L1917 VanDerWaalsContact O-CB 3.22Å; W1912-L1917 WeakPolarHBondContact O-CB 3.44Å; W1912-L1917 PolarHBondContact O-N 3.14Å
1913V84.5Confident84.4Confident9 Ų955.1 Ų55.16%0.05527%0.27CS..Iπ-helixtrans-76.8-36.9-174.5175.40000113L1909 P1918 Y1935L1909-V1913 HydrophobicContact CG-CG2 4.27Å; L1909-V1913 WeakPolarHBondContact O-CB 3.45Å; L1909-V1913 WeakPolarHBondContact O-CG2 3.36Å; L1909-V1913 PolarHBondContact O-N 3.01Å; V1913-P1918 WeakPolarHBondContact O-CD 3.42Å; V1913-P1918 WeakPolarHBondContact O-CG 3.39Å; V1913-Y1935 HydrophobicContact CB-CD2 4.47Å; V1913-Y1935 HydrophobicContact CG1-CD2 4.3Å
1914F83.5Confident83.7Confident26 Ų2654 Ų5411%0.11427%0.265CS..Iπ-helixtrans-98.4-20.9-175-61.5-62.9000115Q1624 L1633 H1910 A1925 Y1935Q1624-F1914 HydrophobicContact CG-CE1 4.35Å; Q1624-F1914 HydrophobicContact CG-CE2 4.01Å; Q1624-F1914 HydrophobicContact CG-CZ 3.61Å; L1633-F1914 HydrophobicContact CD1-CD2 4.29Å; H1910-F1914 AromaticContact CD2-CE2 3.98Å; H1910-F1914 WeakPolarHBondContact O-CB 3.46Å; H1910-F1914 WeakPolarHBondContact O-CD2 3.27Å; H1910-F1914 PolarHBondContact O-N 3.46Å; H1910-F1914 VanDerWaalsContact O-N 3.14Å; F1914-A1925 HydrophobicContact CD1-CB 4.06Å; F1914-A1925 HydrophobicContact CE1-CB 4.4Å; F1914-Y1935 AromaticContact CE2-CD2 3.94Å; F1914-Y1935 HydrophobicContact CE2-CD2 3.94Å; F1914-Y1935 AromaticContact CE2-CE2 3.4Å; F1914-Y1935 HydrophobicContact CE2-CE2 3.4Å; F1914-Y1935 VanDerWaalsContact CE2-CE2 3.4Å; F1914-Y1935 AromaticContact CE2-CZ 3.86Å; F1914-Y1935 AromaticContact CZ-CD2 3.96Å; F1914-Y1935 HydrophobicContact CZ-CD2 3.96Å; F1914-Y1935 HydrophobicContact CZ-CE1 4.37Å; F1914-Y1935 AromaticContact CZ-CE2 3.7Å; F1914-Y1935 HydrophobicContact CZ-CE2 3.7Å; F1914-Y1935 HydrophobicContact CZ-CG 4.46Å; F1914-Y1935 AromaticContact CZ-CZ 3.91Å
1915L83.7Confident82.9Confident71 Ų7149.1 Ų49.137%0.37224%0.242SC..Iπ-helixtrans-117.9-52.1-177.9-54.4170.8000112.6L1698 I1911 N1919L1698-L1915 HydrophobicContact CD1-CD2 4.11Å; I1911-L1915 WeakPolarHBondContact O-CB 3.34Å; I1911-L1915 PolarHBondContact O-N 3.2Å; L1915-N1919 WeakPolarHBondContact O-CB 3.07Å
1916V85.3Confident82.3Confident42 Ų4249.4 Ų49.426%0.25524%0.244SC..Iπ-helixtrans-72.9-53.8-174.7-176.30000111.6I1911 W1912 N1919 M1920I1911-V1916 HydrophobicContact CG2-CG2 4.14Å; I1911-V1916 PolarHBondContact O-N 3.3Å; W1912-V1916 HydrophobicContact CD2-CB 4.45Å; W1912-V1916 HydrophobicContact CD2-CG1 4.44Å; W1912-V1916 HydrophobicContact CE3-CB 4.28Å; W1912-V1916 HydrophobicContact CE3-CG1 4.09Å; W1912-V1916 HydrophobicContact CE3-CG2 4.38Å; W1912-V1916 HydrophobicContact CH2-CG1 4.49Å; W1912-V1916 HydrophobicContact CZ3-CG1 4.12Å; V1916-N1919 PolarHBondContact O-N 3.22Å; V1916-M1920 HydrophobicContact CG1-CG 4.2Å; V1916-M1920 HydrophobicContact CG1-SD 3.76Å; V1916-M1920 WeakPolarHBondContact O-CG 3.06Å; V1916-M1920 PolarHBondContact O-N 3.38Å
1917L82.5Confident81.7Confident5 Ų552.6 Ų52.63%0.02627%0.266CS..Hα-helixtrans-63-41.2-174.9-173.969.8000113.3F1851 W1912 M1920 T1921 A1931F1851-L1917 HydrophobicContact CD1-CD1 4.06Å; F1851-L1917 HydrophobicContact CD1-CD2 4.22Å; F1851-L1917 HydrophobicContact CE1-CD2 4.24Å; W1912-L1917 VanDerWaalsContact O-CB 3.22Å; W1912-L1917 WeakPolarHBondContact O-CB 3.44Å; W1912-L1917 PolarHBondContact O-N 3.14Å; L1917-M1920 PolarHBondContact O-N 2.93Å; L1917-T1921 HydrophobicContact CD1-CG2 3.67Å; L1917-T1921 HydrophobicContact CG-CG2 4.23Å; L1917-T1921 WeakPolarHBondContact O-CB 3.07Å; L1917-T1921 WeakPolarHBondContact O-CG2 3.45Å; L1917-T1921 PolarHBondContact O-N 3.09Å; L1917-T1921 PolarHBondContact O-OG1 3.22Å; L1917-A1931 HydrophobicContact CD2-CB 3.73Å
1918P81.4Confident81.4Confident7 Ų750.8 Ų50.85%0.04525%0.25CC..Hα-helixtrans-67.8-36177.4-23.837.7000113.1P1692 V1913 R1922 R1923 A1925P1692-P1918 HydrophobicContact CB-CB 4.08Å; V1913-P1918 WeakPolarHBondContact O-CD 3.42Å; V1913-P1918 WeakPolarHBondContact O-CG 3.39Å; P1918-R1922 VanDerWaalsContact O-CA 3.29Å; P1918-R1922 WeakPolarHBondContact O-CA 3.41Å; P1918-R1922 PolarHBondContact O-N 2.96Å; P1918-R1923 VanDerWaalsContact CA-O 3.29Å; P1918-R1923 WeakPolarHBondContact CA-O 3.38Å; P1918-R1923 WeakPolarHBondContact CB-O 3.19Å; P1918-A1925 HydrophobicContact CG-CB 4.2Å
1919N83Confident81.2Confident81 Ų8152.2 Ų52.243%0.43326%0.258SS..Hα-helixtrans-66.2-47.3174.9-172.324.8000111.3L1915 V1916L1915-N1919 WeakPolarHBondContact O-CB 3.07Å; V1916-N1919 PolarHBondContact O-N 3.22Å
1920M81.2Confident81.2Confident91 Ų9153.2 Ų53.245%0.44827%0.265SS..Hα-helixtrans-69.2-34.6179.7-70.4-171.276.500114.2T1871 V1916 L1917T1871-M1920 HydrophobicContact CG2-CB 4.48Å; T1871-M1920 HydrophobicContact CG2-CE 3.76Å; T1871-M1920 HydrophobicContact CG2-SD 4.11Å; V1916-M1920 HydrophobicContact CG1-CG 4.2Å; V1916-M1920 HydrophobicContact CG1-SD 3.76Å; V1916-M1920 WeakPolarHBondContact O-CG 3.06Å; V1916-M1920 PolarHBondContact O-N 3.38Å; L1917-M1920 PolarHBondContact O-N 2.93Å
1921T77.8Confident81Confident10 Ų1052.7 Ų52.76%0.06126%0.262CS..Hα-helixtrans-96.9-6.1-177.160.60000114F1851 L1917 R1923F1851-T1921 WeakPolarHBondContact O-CG2 3.35Å; L1917-T1921 HydrophobicContact CD1-CG2 3.67Å; L1917-T1921 HydrophobicContact CG-CG2 4.23Å; L1917-T1921 WeakPolarHBondContact O-CB 3.07Å; L1917-T1921 WeakPolarHBondContact O-CG2 3.45Å; L1917-T1921 PolarHBondContact O-N 3.09Å; L1917-T1921 PolarHBondContact O-OG1 3.22Å; T1921-R1923 PolarHBondContact O-N 3.15Å; T1921-R1923 PolarHBondContact OG1-N 3.11Å
1922R77Confident81Confident162 Ų16249.3 Ų49.361%0.61124%0.244SC*.SBendtrans51.620-169.4-58.7-62.2-174.7163-1.2114.5P1918P1918-R1922 VanDerWaalsContact O-CA 3.29Å; P1918-R1922 WeakPolarHBondContact O-CA 3.41Å; P1918-R1922 PolarHBondContact O-N 2.96Å
1923R74.2Confident81Confident114 Ų11448.8 Ų48.843%0.4325%0.25SS..SBendtrans-115.9129.6177.7-70177178.2-178.3-0.8109.5P1918 T1921P1918-R1923 VanDerWaalsContact CA-O 3.29Å; P1918-R1923 WeakPolarHBondContact CA-O 3.38Å; P1918-R1923 WeakPolarHBondContact CB-O 3.19Å; T1921-R1923 PolarHBondContact O-N 3.15Å; T1921-R1923 PolarHBondContact OG1-N 3.11Å
1924S73Confident81.2Confident42 Ų4249 Ų4929%0.29425%0.251SS..  trans-58.4146.4175.477.30000111.2I1926 S1927 N1928S1924-I1926 PolarHBondContact O-N 2.89Å; S1924-I1926 VanDerWaalsContact O-N 3.12Å; S1924-S1927 PolarHBondContact N-OG 2.65Å; S1924-S1927 PolarHBondContact O-N 2.89Å; S1924-S1927 PolarHBondContact O-OG 3.39Å; S1924-S1927 PolarHBondContact OG-N 2.99Å; S1924-S1927 VanDerWaalsContact OG-N 3.16Å; S1924-S1927 PolarHBondContact OG-OG 2.88Å; S1924-N1928 PolarHBondContact O-N 2.7Å
1925A73.6Confident81.5Confident15 Ų1547.8 Ų47.812%0.12425%0.246CC..G310 helixtrans-57-28.3174.300000112.3F1914 P1918 S1927 N1928 Q1932F1914-A1925 HydrophobicContact CD1-CB 4.06Å; F1914-A1925 HydrophobicContact CE1-CB 4.4Å; P1918-A1925 HydrophobicContact CG-CB 4.2Å; A1925-S1927 VanDerWaalsContact C-N 3.3Å; A1925-S1927 PolarHBondContact O-N 2.95Å; A1925-N1928 PolarHBondContact O-N 3.01Å; A1925-Q1932 PolarHBondContact O-NE2 3.45Å
1926I75.8Confident81.7Confident42 Ų4245.8 Ų45.822%0.21524%0.236CC..G310 helixtrans-72.3-22.8178.5-50.5171.4000111.9T1627 S1924 Q1932T1627-I1926 WeakPolarHBondContact O-CD1 3.18Å; S1924-I1926 PolarHBondContact O-N 2.89Å; S1924-I1926 VanDerWaalsContact O-N 3.12Å; I1926-Q1932 PolarHBondContact O-NE2 2.92Å
1927S77.2Confident82Confident66 Ų6645.9 Ų45.946%0.46224%0.235SC..G310 helixtrans-92.5-7172.649.20000114.7S1924 A1925S1924-S1927 PolarHBondContact N-OG 2.65Å; S1924-S1927 PolarHBondContact O-N 2.89Å; S1924-S1927 PolarHBondContact O-OG 3.39Å; S1924-S1927 PolarHBondContact OG-N 2.99Å; S1924-S1927 VanDerWaalsContact OG-N 3.16Å; S1924-S1927 PolarHBondContact OG-OG 2.88Å; A1925-S1927 VanDerWaalsContact C-N 3.3Å; A1925-S1927 PolarHBondContact O-N 2.95Å
1928N80.9Confident82.4Confident8 Ų845.8 Ų45.84%0.04323%0.234CC..  trans-106.285.1-175.2-167.1-27.3000112.1A1850 S1924 A1925 V1930 A1931 Q1932A1850-N1928 PolarHBondContact O-ND2 2.69Å; S1924-N1928 PolarHBondContact O-N 2.7Å; A1925-N1928 PolarHBondContact O-N 3.01Å; N1928-V1930 PolarHBondContact O-N 2.91Å; N1928-V1930 PolarHBondContact OD1-N 2.74Å; N1928-A1931 HydrophobicContact CB-CB 3.97Å; N1928-A1931 PolarHBondContact O-N 3.42Å; N1928-A1931 VanDerWaalsContact O-N 3.12Å; N1928-A1931 PolarHBondContact OD1-N 2.79Å; N1928-A1931 VanDerWaalsContact OD1-N 3.1Å; N1928-Q1932 VanDerWaalsContact O-CG 3.31Å; N1928-Q1932 WeakPolarHBondContact O-CG 3.43Å; N1928-Q1932 PolarHBondContact O-N 2.9Å
1929H84.1Confident82.8Confident140 Ų14045.5 Ų45.565%0.64823%0.232SC*.Hα-helixtrans-59.7-27.2-178.2-61.7-46.2000114.7Q1932 A1933H1929-Q1932 PolarHBondContact ND1-OE1 3.26Å; H1929-A1933 WeakPolarHBondContact O-CB 3.41Å; H1929-A1933 PolarHBondContact O-N 3.05Å
1930V86.1Confident83.1Confident34 Ų3443.9 Ų43.921%0.20623%0.227CC..Hα-helixtrans-71.6-44.9175.6-178.60000110.4I1843 A1850 F1851 N1928 Q1932 A1933 L1934I1843-V1930 HydrophobicContact CG2-CG1 4.06Å; A1850-V1930 HydrophobicContact CB-CB 3.72Å; A1850-V1930 HydrophobicContact CB-CG1 4.43Å; A1850-V1930 HydrophobicContact CB-CG2 3.48Å; A1850-V1930 VanDerWaalsContact CB-CG2 3.48Å; F1851-V1930 HydrophobicContact CE2-CG1 3.56Å; F1851-V1930 HydrophobicContact CZ-CB 4.47Å; F1851-V1930 HydrophobicContact CZ-CG1 3.59Å; N1928-V1930 PolarHBondContact O-N 2.91Å; N1928-V1930 PolarHBondContact OD1-N 2.74Å; V1930-Q1932 VanDerWaalsContact C-N 3.29Å; V1930-Q1932 PolarHBondContact O-N 3.42Å; V1930-A1933 PolarHBondContact O-N 3.2Å; V1930-L1934 WeakPolarHBondContact O-CB 3.47Å; V1930-L1934 PolarHBondContact O-N 2.84Å
1931A83.3Confident83.6Confident1 Ų139.6 Ų39.61%0.00821%0.206CC..Hα-helixtrans-63.3-36174.300000112.1L1917 N1928 Y1935L1917-A1931 HydrophobicContact CD2-CB 3.73Å; N1928-A1931 HydrophobicContact CB-CB 3.97Å; N1928-A1931 PolarHBondContact O-N 3.42Å; N1928-A1931 VanDerWaalsContact O-N 3.12Å; N1928-A1931 PolarHBondContact OD1-N 2.79Å; N1928-A1931 VanDerWaalsContact OD1-N 3.1Å; A1931-Y1935 WeakPolarHBondContact O-CB 3.47Å; A1931-Y1935 PolarHBondContact O-N 3.34Å
1932Q86.4Confident84.2Confident22 Ų2239.1 Ų39.110%0.10320%0.203CC..Hα-helixtrans-63-50.9173.2-66.8164.59.900111.7V1625 A1925 I1926 N1928 H1929 V1930 L1934 Y1935 V1936V1625-Q1932 HydrophobicContact CG1-CB 3.84Å; V1625-Q1932 HydrophobicContact CG1-CG 3.89Å; A1925-Q1932 PolarHBondContact O-NE2 3.45Å; I1926-Q1932 PolarHBondContact O-NE2 2.92Å; N1928-Q1932 VanDerWaalsContact O-CG 3.31Å; N1928-Q1932 WeakPolarHBondContact O-CG 3.43Å; N1928-Q1932 PolarHBondContact O-N 2.9Å; H1929-Q1932 PolarHBondContact ND1-OE1 3.26Å; V1930-Q1932 VanDerWaalsContact C-N 3.29Å; V1930-Q1932 PolarHBondContact O-N 3.42Å; Q1932-L1934 VanDerWaalsContact C-N 3.3Å; Q1932-L1934 PolarHBondContact O-N 3.14Å; Q1932-Y1935 PolarHBondContact O-N 3.18Å; Q1932-V1936 WeakPolarHBondContact O-CG2 3.45Å; Q1932-V1936 PolarHBondContact O-N 3.14Å
1933A86.5Confident84.7Confident36 Ų3632.7 Ų32.730%0.29818%0.181SC..Hα-helixtrans-59.1-4217800000111.8I1843 H1929 V1930 V1936 I1937I1843-A1933 HydrophobicContact CG2-CB 4.48Å; H1929-A1933 WeakPolarHBondContact O-CB 3.41Å; H1929-A1933 PolarHBondContact O-N 3.05Å; V1930-A1933 PolarHBondContact O-N 3.2Å; A1933-V1936 PolarHBondContact O-N 2.99Å; A1933-I1937 WeakPolarHBondContact O-CB 3.4Å; A1933-I1937 WeakPolarHBondContact O-CG1 3.39Å; A1933-I1937 PolarHBondContact O-N 2.9Å
1934L88.7Confident85.4Confident14 Ų1428.4 Ų28.47%0.07317%0.167CC..Hα-helixtrans-61.9-48174.6-172.5158.1000111.7M1844 F1851 M1875 L1909 V1930 Q1932 V1936 I1937 K1938M1844-L1934 HydrophobicContact CG-CD1 3.51Å; M1844-L1934 HydrophobicContact SD-CD1 4Å; F1851-L1934 HydrophobicContact CZ-CD1 4.21Å; M1875-L1934 HydrophobicContact CE-CD1 3.6Å; L1909-L1934 HydrophobicContact CD1-CD2 4.35Å; V1930-L1934 WeakPolarHBondContact O-CB 3.47Å; V1930-L1934 PolarHBondContact O-N 2.84Å; Q1932-L1934 VanDerWaalsContact C-N 3.3Å; Q1932-L1934 PolarHBondContact O-N 3.14Å; L1934-V1936 PolarHBondContact O-N 3.16Å; L1934-I1937 PolarHBondContact O-N 2.99Å; L1934-K1938 VanDerWaalsContact O-CB 3.3Å; L1934-K1938 WeakPolarHBondContact O-CB 3.36Å; L1934-K1938 PolarHBondContact O-N 3.24Å
1935Y89.3Confident86.2Confident1 Ų126.4 Ų26.40%0.00415%0.153CC..Hα-helixtrans-59.9-44.6177.4178.7-86.5000111.8I1621 V1625 L1909 H1910 V1913 F1914 A1931 Q1932 S1939I1621-Y1935 HydrophobicContact CG2-CD1 4.45Å; I1621-Y1935 HydrophobicContact CG2-CE1 4.01Å; V1625-Y1935 HydrophobicContact CG2-CD1 3.37Å; V1625-Y1935 HydrophobicContact CG2-CE1 3.74Å; V1625-Y1935 HydrophobicContact CG2-CG 4.42Å; L1909-Y1935 HydrophobicContact CD2-CD2 3.36Å; L1909-Y1935 HydrophobicContact CD2-CE2 3.56Å; L1909-Y1935 HydrophobicContact CD2-CG 4.37Å; H1910-Y1935 AromaticContact NE2-CE2 3.73Å; H1910-Y1935 AromaticContact NE2-CZ 3.72Å; H1910-Y1935 PolarHBondContact NE2-OH 2.98Å; V1913-Y1935 HydrophobicContact CB-CD2 4.47Å; V1913-Y1935 HydrophobicContact CG1-CD2 4.3Å; F1914-Y1935 AromaticContact CE2-CD2 3.94Å; F1914-Y1935 HydrophobicContact CE2-CD2 3.94Å; F1914-Y1935 AromaticContact CE2-CE2 3.4Å; F1914-Y1935 HydrophobicContact CE2-CE2 3.4Å; F1914-Y1935 VanDerWaalsContact CE2-CE2 3.4Å; F1914-Y1935 AromaticContact CE2-CZ 3.86Å; F1914-Y1935 AromaticContact CZ-CD2 3.96Å; F1914-Y1935 HydrophobicContact CZ-CD2 3.96Å; F1914-Y1935 HydrophobicContact CZ-CE1 4.37Å; F1914-Y1935 AromaticContact CZ-CE2 3.7Å; F1914-Y1935 HydrophobicContact CZ-CE2 3.7Å; F1914-Y1935 HydrophobicContact CZ-CG 4.46Å; F1914-Y1935 AromaticContact CZ-CZ 3.91Å; A1931-Y1935 WeakPolarHBondContact O-CB 3.47Å; A1931-Y1935 PolarHBondContact O-N 3.34Å; Q1932-Y1935 PolarHBondContact O-N 3.18Å; Y1935-S1939 WeakPolarHBondContact O-CB 3.36Å; Y1935-S1939 PolarHBondContact O-N 3.45Å; Y1935-S1939 PolarHBondContact O-OG 2.78Å
1936V89.1Confident86.9Confident28 Ų2825.7 Ų25.717%0.1715%0.147CC..Hα-helixtrans-61.7-50.8177.71710000111.1M1622 V1625 Q1932 A1933 L1934 S1939 C1940M1622-V1936 HydrophobicContact CE-CB 4.29Å; M1622-V1936 HydrophobicContact CE-CG1 3.76Å; M1622-V1936 HydrophobicContact CE-CG2 3.48Å; M1622-V1936 VanDerWaalsContact CE-CG2 3.48Å; V1625-V1936 HydrophobicContact CG1-CG2 4.38Å; V1625-V1936 HydrophobicContact CG2-CG2 3.72Å; Q1932-V1936 WeakPolarHBondContact O-CG2 3.45Å; Q1932-V1936 PolarHBondContact O-N 3.14Å; A1933-V1936 PolarHBondContact O-N 2.99Å; L1934-V1936 PolarHBondContact O-N 3.16Å; V1936-S1939 WeakPolarHBondContact O-CB 3.38Å; V1936-S1939 PolarHBondContact O-N 2.67Å; V1936-C1940 PolarHBondContact O-N 3.31Å; V1936-C1940 PolarHBondContact O-SG 3.42Å
1937I91.1Very high87.3Confident44 Ų4427.3 Ų27.323%0.22615%0.15CC..Hα-helixtrans-73.8-36.2-172.4-67.9167.3000110.9I1836 I1839 I1843 A1933 L1934 S1939 C1940 Y1941I1836-I1937 HydrophobicContact CG2-CG2 3.62Å; I1836-I1937 VanDerWaalsContact CG2-O 3.25Å; I1836-I1937 WeakPolarHBondContact CG2-O 3.42Å; I1839-I1937 HydrophobicContact CG2-CD1 4.2Å; I1839-I1937 HydrophobicContact CG2-CG2 4.1Å; I1843-I1937 HydrophobicContact CD1-CD1 3.33Å; A1933-I1937 WeakPolarHBondContact O-CB 3.4Å; A1933-I1937 WeakPolarHBondContact O-CG1 3.39Å; A1933-I1937 PolarHBondContact O-N 2.9Å; L1934-I1937 PolarHBondContact O-N 2.99Å; I1937-S1939 VanDerWaalsContact C-N 3.33Å; I1937-C1940 WeakPolarHBondContact O-CB 3.43Å; I1937-C1940 PolarHBondContact O-N 3.08Å; I1937-Y1941 PolarHBondContact O-N 3.39Å
1938K90.8Very high87.8Confident4 Ų424.3 Ų24.32%0.01713%0.129CC..Hα-helixtrans-71.8-25.6170.8-161.471.7-176.2-176.20112.4D1837 M1879 L1909 L1934 Y1941 F1942D1837-K1938 WeakPolarHBondContact OD1-CD 3Å; D1837-K1938 IonicContact OD1-NZ 3.24Å; D1837-K1938 PolarHBondContact OD1-NZ 3.29Å; D1837-K1938 IonicContact OD2-NZ 3.3Å; D1837-K1938 PolarHBondContact OD2-NZ 3.25Å; M1879-K1938 HydrophobicContact CE-CD 4.46Å; L1909-K1938 HydrophobicContact CD1-CB 3.7Å; L1909-K1938 HydrophobicContact CD1-CG 3.53Å; L1934-K1938 VanDerWaalsContact O-CB 3.3Å; L1934-K1938 WeakPolarHBondContact O-CB 3.36Å; L1934-K1938 PolarHBondContact O-N 3.24Å; K1938-Y1941 HydrophobicContact CD-CD1 4.04Å; K1938-Y1941 HydrophobicContact CD-CG 4.1Å; K1938-Y1941 WeakPolarHBondContact O-CB 3.45Å; K1938-Y1941 PolarHBondContact O-N 2.78Å; K1938-F1942 HydrophobicContact CG-CE2 4.05Å; K1938-F1942 HydrophobicContact CG-CZ 4.03Å; K1938-F1942 WeakPolarHBondContact O-CD2 3.19Å; K1938-F1942 WeakPolarHBondContact O-CG 3.18Å; K1938-F1942 PolarHBondContact O-N 3.41Å
1939S89.7Confident88.1Confident0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-68-37.7167.1-61.80000112.1Y1935 V1936 I1937 Y1941 F1942 L1943Y1935-S1939 WeakPolarHBondContact O-CB 3.36Å; Y1935-S1939 PolarHBondContact O-N 3.45Å; Y1935-S1939 PolarHBondContact O-OG 2.78Å; V1936-S1939 WeakPolarHBondContact O-CB 3.38Å; V1936-S1939 PolarHBondContact O-N 2.67Å; I1937-S1939 VanDerWaalsContact C-N 3.33Å; S1939-Y1941 VanDerWaalsContact C-N 3.34Å; S1939-F1942 PolarHBondContact O-N 3.28Å; S1939-L1943 WeakPolarHBondContact O-CG 3.24Å; S1939-L1943 PolarHBondContact O-N 3.29Å
1940C88.9Confident88Confident48 Ų4820.1 Ų20.132%0.32411%0.107SC..Hα-helixtrans-62.1-40.5169.1-66.70000111.7V1936 I1937 F1942 L1943 V1944V1936-C1940 PolarHBondContact O-N 3.31Å; V1936-C1940 PolarHBondContact O-SG 3.42Å; I1937-C1940 WeakPolarHBondContact O-CB 3.43Å; I1937-C1940 PolarHBondContact O-N 3.08Å; C1940-F1942 VanDerWaalsContact C-N 3.35Å; C1940-F1942 PolarHBondContact O-N 3.08Å; C1940-L1943 PolarHBondContact O-N 3.48Å; C1940-V1944 WeakPolarHBondContact O-CG2 3.47Å; C1940-V1944 PolarHBondContact O-N 3.38Å
1941Y91.8Very high87.6Confident0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-56.9-45.6169.6169.1-83.1000111.5M1833 D1837 D1886 K1898 Y1901 I1937 K1938 S1939 L1943 V1944 S1945M1833-Y1941 HydrophobicContact CB-CD2 4.13Å; M1833-Y1941 HydrophobicContact CB-CE2 3.92Å; M1833-Y1941 HydrophobicContact CE-CD2 4.47Å; M1833-Y1941 HydrophobicContact CE-CE1 4.47Å; M1833-Y1941 HydrophobicContact CE-CE2 3.76Å; D1837-Y1941 VanDerWaalsContact OD1-CD2 3.25Å; D1837-Y1941 WeakPolarHBondContact OD1-CD2 3.43Å; D1837-Y1941 WeakPolarHBondContact OD2-CE2 3.5Å; D1886-Y1941 WeakPolarHBondContact OD2-CE2 3.45Å; D1886-Y1941 PolarHBondContact OD2-OH 2.93Å; K1898-Y1941 PolarHBondContact NZ-OH 3.04Å; Y1901-Y1941 HydrophobicContact CE1-CE1 4.37Å; Y1901-Y1941 WeakPolarHBondContact CE1-OH 3.38Å; I1937-Y1941 PolarHBondContact O-N 3.39Å; K1938-Y1941 HydrophobicContact CD-CD1 4.04Å; K1938-Y1941 HydrophobicContact CD-CG 4.1Å; K1938-Y1941 WeakPolarHBondContact O-CB 3.45Å; K1938-Y1941 PolarHBondContact O-N 2.78Å; S1939-Y1941 VanDerWaalsContact C-N 3.34Å; Y1941-L1943 VanDerWaalsContact C-N 3.33Å; Y1941-L1943 PolarHBondContact O-N 3.27Å; Y1941-V1944 PolarHBondContact O-N 3.09Å; Y1941-S1945 WeakPolarHBondContact O-CB 3.38Å; Y1941-S1945 PolarHBondContact O-N 3.39Å
1942F90.8Very high87.4Confident0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-66.2-31.3177.4-63.5-45.3000113.4L1640 Q1902 M1905 I1906 L1909 K1938 S1939 C1940 A1946L1640-F1942 HydrophobicContact CD2-CB 3.91Å; Q1902-F1942 HydrophobicContact CG-CD1 4.44Å; Q1902-F1942 PolarHBondContact NE2-O 3.23Å; M1905-F1942 HydrophobicContact CB-CE1 3.68Å; M1905-F1942 HydrophobicContact CB-CZ 3.85Å; I1906-F1942 HydrophobicContact CD1-CB 4.33Å; I1906-F1942 HydrophobicContact CD1-CD1 4.37Å; I1906-F1942 HydrophobicContact CD1-CG 4.18Å; I1906-F1942 HydrophobicContact CG1-CB 4.32Å; I1906-F1942 HydrophobicContact CG1-CD1 3.79Å; I1906-F1942 HydrophobicContact CG1-CD2 3.66Å; I1906-F1942 HydrophobicContact CG1-CE1 3.95Å; I1906-F1942 HydrophobicContact CG1-CE2 3.8Å; I1906-F1942 HydrophobicContact CG1-CG 3.67Å; I1906-F1942 HydrophobicContact CG1-CZ 3.96Å; L1909-F1942 HydrophobicContact CB-CE2 4.35Å; L1909-F1942 HydrophobicContact CD1-CE2 4.08Å; L1909-F1942 HydrophobicContact CD1-CZ 4.43Å; L1909-F1942 HydrophobicContact CD2-CE2 4.3Å; L1909-F1942 HydrophobicContact CG-CE2 4.49Å; K1938-F1942 HydrophobicContact CG-CE2 4.05Å; K1938-F1942 HydrophobicContact CG-CZ 4.03Å; K1938-F1942 WeakPolarHBondContact O-CD2 3.19Å; K1938-F1942 WeakPolarHBondContact O-CG 3.18Å; K1938-F1942 PolarHBondContact O-N 3.41Å; S1939-F1942 PolarHBondContact O-N 3.28Å; C1940-F1942 VanDerWaalsContact C-N 3.35Å; C1940-F1942 PolarHBondContact O-N 3.08Å; F1942-A1946 VanDerWaalsContact O-CB 3.32Å; F1942-A1946 WeakPolarHBondContact O-CB 3.35Å; F1942-A1946 PolarHBondContact O-N 3.03Å
1943L88.2Confident87Confident28 Ų2818.5 Ų18.515%0.14710%0.098CC..Hα-helixtrans-68.7-43.6172-71.9172.4000112.1Y1617 I1621 L1640 N1644 S1939 C1940 Y1941 W1947Y1617-L1943 HydrophobicContact CD2-CD2 4.37Å; I1621-L1943 HydrophobicContact CD1-CD1 3.86Å; L1640-L1943 HydrophobicContact CD2-CD2 3.87Å; L1640-L1943 HydrophobicContact CD2-CG 4.02Å; N1644-L1943 HydrophobicContact CB-CD2 4.15Å; N1644-L1943 PolarHBondContact ND2-O 3.19Å; S1939-L1943 WeakPolarHBondContact O-CG 3.24Å; S1939-L1943 PolarHBondContact O-N 3.29Å; C1940-L1943 PolarHBondContact O-N 3.48Å; Y1941-L1943 VanDerWaalsContact C-N 3.33Å; Y1941-L1943 PolarHBondContact O-N 3.27Å; L1943-W1947 PolarHBondContact O-N 2.66Å
1944V88.4Confident86.4Confident23 Ų2317.3 Ų17.314%0.1399%0.088CC..Hα-helixtrans-67.3-38.8174.8-179.80000110.9L1829 I1832 M1833 I1836 C1940 Y1941 W1947 Q1948L1829-V1944 HydrophobicContact CB-CG1 3.75Å; L1829-V1944 HydrophobicContact CD1-CG1 4.17Å; L1829-V1944 HydrophobicContact CG-CG1 4.43Å; I1832-V1944 HydrophobicContact CB-CG1 4.4Å; I1832-V1944 HydrophobicContact CG2-CG1 4.23Å; I1832-V1944 HydrophobicContact CG2-CG2 4.35Å; M1833-V1944 HydrophobicContact CG-CB 4.18Å; M1833-V1944 HydrophobicContact CG-CG1 3.52Å; M1833-V1944 HydrophobicContact SD-CG1 4.34Å; I1836-V1944 HydrophobicContact CD1-CG2 3.96Å; C1940-V1944 WeakPolarHBondContact O-CG2 3.47Å; C1940-V1944 PolarHBondContact O-N 3.38Å; Y1941-V1944 PolarHBondContact O-N 3.09Å; V1944-W1947 WeakPolarHBondContact O-CB 3.45Å; V1944-W1947 PolarHBondContact O-N 3.43Å; V1944-Q1948 PolarHBondContact O-N 3.45Å
1945S89.5Confident85.3Confident0 Ų022.3 Ų22.30%011%0.111CC..Hα-helixtrans-63.5-44.2175.5-175.30000112.3K1898 Q1902 Y1941 W1947 Q1948 I1949K1898-S1945 WeakPolarHBondContact CE-OG 3.39Å; Q1902-S1945 VanDerWaalsContact OE1-C 3.27Å; Q1902-S1945 PolarHBondContact OE1-OG 2.94Å; Y1941-S1945 WeakPolarHBondContact O-CB 3.38Å; Y1941-S1945 PolarHBondContact O-N 3.39Å; S1945-W1947 VanDerWaalsContact C-N 3.31Å; S1945-W1947 PolarHBondContact O-N 2.94Å; S1945-Q1948 PolarHBondContact O-N 3.12Å; S1945-Q1948 VanDerWaalsContact O-N 3.17Å; S1945-I1949 WeakPolarHBondContact O-CG1 3.22Å; S1945-I1949 PolarHBondContact O-N 3.44Å
1946A87.5Confident84.2Confident0 Ų023.4 Ų23.40%012%0.117CC..Hα-helixtrans-63.5-37.2174.200000111.9N1644 L1645 F1942 I1949 R1950N1644-A1946 HydrophobicContact CB-CB 4.16Å; N1644-A1946 WeakPolarHBondContact ND2-CB 3.2Å; L1645-A1946 HydrophobicContact CD2-CB 3.78Å; L1645-A1946 HydrophobicContact CG-CB 4.16Å; F1942-A1946 VanDerWaalsContact O-CB 3.32Å; F1942-A1946 WeakPolarHBondContact O-CB 3.35Å; F1942-A1946 PolarHBondContact O-N 3.03Å; A1946-I1949 PolarHBondContact O-N 3.27Å; A1946-R1950 WeakPolarHBondContact O-CB 3.44Å; A1946-R1950 PolarHBondContact O-N 3.13Å
1947W86.1Confident83Confident77 Ų7723.2 Ų23.229%0.29212%0.116SC..Hα-helixtrans-65.5-39.7173.1-172.514.3000111.5L1829 L1943 V1944 S1945 R1950 N1951L1829-W1947 HydrophobicContact CD1-CB 3.89Å; L1829-W1947 HydrophobicContact CD1-CD2 3.54Å; L1829-W1947 HydrophobicContact CD1-CE3 3.6Å; L1829-W1947 HydrophobicContact CD1-CG 3.68Å; L1829-W1947 HydrophobicContact CD1-CZ3 4.32Å; L1829-W1947 HydrophobicContact CD2-CE3 4.03Å; L1829-W1947 HydrophobicContact CD2-CH2 4.3Å; L1829-W1947 HydrophobicContact CD2-CZ3 3.91Å; L1943-W1947 PolarHBondContact O-N 2.66Å; V1944-W1947 WeakPolarHBondContact O-CB 3.45Å; V1944-W1947 PolarHBondContact O-N 3.43Å; S1945-W1947 VanDerWaalsContact C-N 3.31Å; S1945-W1947 PolarHBondContact O-N 2.94Å; W1947-R1950 VanDerWaalsContact CD1-NH2 3.26Å; W1947-R1950 PolarHBondContact O-N 3.46Å; W1947-N1951 PolarHBondContact NE1-ND2 3.22Å; W1947-N1951 VanDerWaalsContact NE1-ND2 3.14Å; W1947-N1951 PolarHBondContact NE1-OD1 2.9Å; W1947-N1951 WeakPolarHBondContact O-CB 3.39Å; W1947-N1951 PolarHBondContact O-N 2.92Å; W1947-N1951 PolarHBondContact O-ND2 3.01Å; W1947-N1951 PolarHBondContact O-OD1 3.39Å
1948Q87.5Confident81.4Confident2 Ų223.8 Ų23.81%0.00912%0.119CC..Hα-helixtrans-64.4-39.2174.6-169.958.339.900112.3R1827 L1829 M1833 V1944 S1945 G1952 Y1953R1827-Q1948 PolarHBondContact O-NE2 3.44Å; R1827-Q1948 VanDerWaalsContact O-NE2 3.12Å; R1827-Q1948 PolarHBondContact O-OE1 3.26Å; L1829-Q1948 HydrophobicContact CD1-CB 4.24Å; L1829-Q1948 VanDerWaalsContact CG-OE1 3.28Å; M1833-Q1948 HydrophobicContact SD-CB 4.09Å; M1833-Q1948 HydrophobicContact SD-CG 4.42Å; V1944-Q1948 PolarHBondContact O-N 3.45Å; S1945-Q1948 PolarHBondContact O-N 3.12Å; S1945-Q1948 VanDerWaalsContact O-N 3.17Å; Q1948-G1952 PolarHBondContact NE2-O 3.27Å; Q1948-G1952 VanDerWaalsContact NE2-O 3.12Å; Q1948-G1952 WeakPolarHBondContact O-CA 3.48Å; Q1948-G1952 PolarHBondContact O-N 2.99Å; Q1948-Y1953 HydrophobicContact CG-CD1 4.17Å; Q1948-Y1953 HydrophobicContact CG-CE1 3.71Å
1949I86.5Confident80Confident6 Ų625.6 Ų25.63%0.03114%0.139CC..Hα-helixtrans-64.5-44.7174-66.5168.1000110.5L1645 L1818 V1895 K1898 L1899 Q1902 S1945 A1946 N1951 G1952L1645-I1949 HydrophobicContact CD2-CB 4.22Å; L1645-I1949 HydrophobicContact CD2-CG2 4.09Å; L1818-I1949 HydrophobicContact CD1-CG2 4.22Å; L1818-I1949 HydrophobicContact CD2-CG2 4.24Å; L1818-I1949 HydrophobicContact CG-CG2 4.41Å; V1895-I1949 HydrophobicContact CG1-CG2 4.07Å; K1898-I1949 HydrophobicContact CB-CG1 4.46Å; K1898-I1949 HydrophobicContact CG-CD1 4.21Å; K1898-I1949 HydrophobicContact CG-CG1 3.98Å; L1899-I1949 HydrophobicContact CB-CD1 4.3Å; L1899-I1949 HydrophobicContact CD1-CD1 4.16Å; Q1902-I1949 HydrophobicContact CB-CD1 4.21Å; Q1902-I1949 VanDerWaalsContact OE1-CD1 3.28Å; S1945-I1949 WeakPolarHBondContact O-CG1 3.22Å; S1945-I1949 PolarHBondContact O-N 3.44Å; A1946-I1949 PolarHBondContact O-N 3.27Å; I1949-N1951 VanDerWaalsContact C-N 3.29Å; I1949-N1951 PolarHBondContact O-N 3.24Å; I1949-G1952 PolarHBondContact O-N 3.02Å
1950R81.3Confident78.7Confident54 Ų5427 Ų2720%0.20415%0.147CC..Hα-helixtrans-62.9-32.3179.9-170.9-179.768.5-159.70.7113.6N1644 S1646 N1647 A1946 W1947N1644-R1950 PolarHBondContact O-NH1 3.35Å; N1644-R1950 PolarHBondContact OD1-NH1 2.9Å; S1646-R1950 WeakPolarHBondContact O-CD 3.2Å; N1647-R1950 HydrophobicContact CB-CG 3.95Å; A1946-R1950 WeakPolarHBondContact O-CB 3.44Å; A1946-R1950 PolarHBondContact O-N 3.13Å; W1947-R1950 VanDerWaalsContact CD1-NH2 3.26Å; W1947-R1950 PolarHBondContact O-N 3.46Å
1951N79.1Confident77.5Confident6 Ų629.6 Ų29.63%0.03216%0.157CC..Hα-helixtrans-85.7-33.3176.9-60.3-10.7000112R1824 Y1825 W1947 I1949R1824-N1951 WeakPolarHBondContact CG-O 3.44Å; R1824-N1951 PolarHBondContact NE-O 3.09Å; Y1825-N1951 WeakPolarHBondContact O-CA 3.19Å; Y1825-N1951 WeakPolarHBondContact O-CB 3.43Å; W1947-N1951 PolarHBondContact NE1-ND2 3.22Å; W1947-N1951 VanDerWaalsContact NE1-ND2 3.14Å; W1947-N1951 PolarHBondContact NE1-OD1 2.9Å; W1947-N1951 WeakPolarHBondContact O-CB 3.39Å; W1947-N1951 PolarHBondContact O-N 2.92Å; W1947-N1951 PolarHBondContact O-ND2 3.01Å; W1947-N1951 PolarHBondContact O-OD1 3.39Å; I1949-N1951 VanDerWaalsContact C-N 3.29Å; I1949-N1951 PolarHBondContact O-N 3.24Å
1952G78.3Confident76.3Confident5 Ų531.6 Ų31.65%0.05217%0.167CC..  trans72.9165.6-164.900000112.9Q1948 I1949Q1948-G1952 PolarHBondContact NE2-O 3.27Å; Q1948-G1952 VanDerWaalsContact NE2-O 3.12Å; Q1948-G1952 WeakPolarHBondContact O-CA 3.48Å; Q1948-G1952 PolarHBondContact O-N 2.99Å; I1949-G1952 PolarHBondContact O-N 3.02Å
1953Y78Confident75.3Confident12 Ų1231.8 Ų31.85%0.04717%0.168CC..  trans-73.8150.4174.3-62.9-68.6000112R1824 Y1890 K1893 V1895 K1898 Q1948R1824-Y1953 PolarHBondContact NH2-O 2.93Å; Y1890-Y1953 HydrophobicContact CD2-CD1 4.02Å; Y1890-Y1953 AromaticContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CD2-CE1 3.78Å; Y1890-Y1953 HydrophobicContact CE2-CD1 4.36Å; K1893-Y1953 WeakPolarHBondContact O-CD2 3.23Å; V1895-Y1953 HydrophobicContact CG2-CD2 3.78Å; V1895-Y1953 HydrophobicContact CG2-CE2 4.21Å; K1898-Y1953 WeakPolarHBondContact CG-OH 3.42Å; Q1948-Y1953 HydrophobicContact CG-CD1 4.17Å; Q1948-Y1953 HydrophobicContact CG-CE1 3.71Å
1954P73.7Confident74.1Confident11 Ų1133.3 Ų33.37%0.07118%0.175CC..  trans-69.7158.916832.3-35.8000111.1I1826 D1828 L1956I1826-P1954 HydrophobicContact CG2-CB 4.2Å; D1828-P1954 HydrophobicContact CB-CG 4.33Å; P1954-L1956 VanDerWaalsContact C-N 3.33Å; P1954-L1956 WeakPolarHBondContact CG-O 3.4Å
1955E66.5Low73.2Confident119 Ų11934.9 Ų34.956%0.55619%0.186SC*.SBendtrans-72.5-26.8178.7-71.5175.1162.700113Q1356 K1893Q1356-E1955 PolarHBondContact NE2-OE2 2.84Å; K1893-E1955 PolarHBondContact NZ-O 2.9Å
1956L65.6Low72.6Confident25 Ų2536.3 Ų36.313%0.13119%0.192CC..  trans-115.8135.5176.3-68.491000110.6F1360 I1363 F1420 P1954 E2404F1360-L1956 HydrophobicContact CD2-CD1 4.38Å; I1363-L1956 HydrophobicContact CD1-CD2 3.34Å; I1363-L1956 HydrophobicContact CG2-CD2 4.35Å; F1420-L1956 HydrophobicContact CE1-CB 4.28Å; P1954-L1956 VanDerWaalsContact C-N 3.33Å; P1954-L1956 WeakPolarHBondContact CG-O 3.4Å; L1956-E2404 WeakPolarHBondContact CA-OE2 3.19Å; L1956-E2404 WeakPolarHBondContact CB-OE2 3.4Å
1957C62.7Low71.9Confident24 Ų2437.8 Ų37.816%0.16221%0.207CC..  trans-126.813.8-173.6-79.80000113.9Y1890 K1893 G1959 E2404Y1890-C1957 HydrophobicContact CE1-CB 4.43Å; Y1890-C1957 PolarHBondContact OH-SG 3.13Å; Y1890-C1957 VanDerWaalsContact OH-SG 3.41Å; K1893-C1957 VanDerWaalsContact CE-SG 3.54Å; C1957-G1959 PolarHBondContact O-N 3.27Å; C1957-E2404 PolarHBondContact N-OE1 3.36Å; C1957-E2404 VanDerWaalsContact N-OE1 3.14Å; C1957-E2404 PolarHBondContact N-OE2 3.46Å
1958I58.5Low71.3Confident55 Ų5538.2 Ų38.228%0.28221%0.213SC..  trans-69.1118.3178.1-63.7164.5000110.8Y2400 E2404I1958-Y2400 WeakPolarHBondContact CD1-O 3.21Å; I1958-Y2400 HydrophobicContact CG2-CG 4.48Å; I1958-E2404 HydrophobicContact CD1-CB 3.76Å; I1958-E2404 WeakPolarHBondContact CD1-OE2 3.36Å; I1958-E2404 HydrophobicContact CG1-CB 4.23Å; I1958-E2404 WeakPolarHBondContact CG1-OE2 3.33Å
1959G60.6Low70.6Confident43 Ų4343.4 Ų43.444%0.44325%0.245SC..  trans146.2136.216900000112.9C1957C1957-G1959 PolarHBondContact O-N 3.27Å
1960N63.9Low70.3Confident30 Ų3044.7 Ų44.716%0.1625%0.253CS..  trans-87.1130.9158.7175.71.6000106.9L1962 T1963 H1964N1960-L1962 PolarHBondContact O-N 3.01Å; N1960-L1962 PolarHBondContact OD1-N 2.88Å; N1960-L1962 VanDerWaalsContact OD1-N 3.11Å; N1960-T1963 HydrophobicContact CB-CG2 4.16Å; N1960-T1963 PolarHBondContact O-N 3.1Å; N1960-T1963 PolarHBondContact O-OG1 3.32Å; N1960-T1963 VanDerWaalsContact O-OG1 3.12Å; N1960-H1964 PolarHBondContact O-CD2 3.39Å; N1960-H1964 VanDerWaalsContact O-CD2 3.28Å; N1960-H1964 PolarHBondContact O-N 2.99Å
1961L63.8Low70.5Confident102 Ų10243.5 Ų43.553%0.53425%0.25SC..G310 helixtrans-51.6-35.9177.6-176.662.5000112P1831 T1963P1831-L1961 HydrophobicContact CB-CB 3.99Å; P1831-L1961 HydrophobicContact CB-CD2 3.6Å; P1831-L1961 HydrophobicContact CB-CG 4.4Å; P1831-L1961 HydrophobicContact CG-CB 4.07Å; P1831-L1961 HydrophobicContact CG-CD2 4.29Å; L1961-T1963 PolarHBondContact O-N 3.15Å
1962L66.1Low70.7Confident42 Ų4247.4 Ų47.422%0.2227%0.269CS..G310 helixtrans-69.5-13.6178.1-56.3-179.8000114.2N1960 A1973 F1974 F1977 F2015N1960-L1962 PolarHBondContact O-N 3.01Å; N1960-L1962 PolarHBondContact OD1-N 2.88Å; N1960-L1962 VanDerWaalsContact OD1-N 3.11Å; L1962-A1973 HydrophobicContact CD2-CB 3.86Å; L1962-F1974 HydrophobicContact CB-CB 4.46Å; L1962-F1974 HydrophobicContact CB-CD2 4.2Å; L1962-F1977 HydrophobicContact CD1-CB 3.79Å; L1962-F1977 HydrophobicContact CD1-CD2 3.93Å; L1962-F1977 HydrophobicContact CD1-CG 3.96Å; L1962-F2015 WeakPolarHBondContact O-CZ 3.49Å
1963T68.7Low70.8Confident4 Ų448.8 Ų48.83%0.02528%0.281CS..G310 helixtrans-115.14.8-177.368.50000115N1960 L1961 F1974 Y2011 F2015N1960-T1963 HydrophobicContact CB-CG2 4.16Å; N1960-T1963 PolarHBondContact O-N 3.1Å; N1960-T1963 PolarHBondContact O-OG1 3.32Å; N1960-T1963 VanDerWaalsContact O-OG1 3.12Å; L1961-T1963 PolarHBondContact O-N 3.15Å; T1963-F1974 HydrophobicContact CG2-CD2 3.68Å; T1963-F1974 HydrophobicContact CG2-CE2 3.34Å; T1963-F1974 HydrophobicContact CG2-CG 4.41Å; T1963-F1974 HydrophobicContact CG2-CZ 3.81Å; T1963-Y2011 WeakPolarHBondContact CB-OH 3.27Å; T1963-Y2011 HydrophobicContact CG2-CE1 4.22Å; T1963-Y2011 PolarHBondContact OG1-OH 3.17Å; T1963-F2015 HydrophobicContact CG2-CD1 4.06Å; T1963-F2015 HydrophobicContact CG2-CD2 4Å; T1963-F2015 HydrophobicContact CG2-CE1 3.99Å; T1963-F2015 HydrophobicContact CG2-CE2 3.96Å; T1963-F2015 HydrophobicContact CG2-CG 4.06Å; T1963-F2015 HydrophobicContact CG2-CZ 3.95Å; T1963-F2015 WeakPolarHBondContact O-CE2 3.44Å
1964H64.6Low71.2Confident60 Ų6048.4 Ų48.428%0.27828%0.279SS..SBendtrans-69.9-32176.2-88-84.1000113.7N1960N1960-H1964 PolarHBondContact O-CD2 3.39Å; N1960-H1964 VanDerWaalsContact O-CD2 3.28Å; N1960-H1964 PolarHBondContact O-N 2.99Å
1965S69.5Low71.7Confident55 Ų5552.4 Ų52.439%0.38530%0.295SS..SBendtrans-133.5148.5178.260.90000112.6G1967 N1970S1965-G1967 VanDerWaalsContact C-N 3.34Å; S1965-G1967 PolarHBondContact O-N 3.31Å; S1965-N1970 WeakPolarHBondContact O-CB 3.34Å; S1965-N1970 PolarHBondContact O-ND2 3.05Å; S1965-N1970 PolarHBondContact OG-ND2 3.1Å
1966Y75.5Confident72.5Confident30 Ų3050.5 Ų50.512%0.11829%0.292CS..  trans-95.432.9-164.5-50.4-75.2000114P1416 F2015 K2018 Q2022 L2393P1416-Y1966 HydrophobicContact CG-CE2 3.73Å; Y1966-F2015 AromaticContact CD1-CD2 3.86Å; Y1966-F2015 HydrophobicContact CD1-CD2 3.86Å; Y1966-F2015 AromaticContact CD1-CE2 3.49Å; Y1966-F2015 HydrophobicContact CD1-CE2 3.49Å; Y1966-F2015 VanDerWaalsContact CD1-CE2 3.49Å; Y1966-F2015 HydrophobicContact CD1-CZ 4.42Å; Y1966-F2015 AromaticContact CE1-CD2 3.72Å; Y1966-F2015 HydrophobicContact CE1-CD2 3.72Å; Y1966-F2015 AromaticContact CE1-CE2 3.6Å; Y1966-F2015 HydrophobicContact CE1-CE2 3.6Å; Y1966-K2018 HydrophobicContact CD1-CB 4.12Å; Y1966-K2018 HydrophobicContact CD1-CG 3.39Å; Y1966-K2018 HydrophobicContact CD2-CG 4.28Å; Y1966-K2018 HydrophobicContact CE1-CG 3.84Å; Y1966-K2018 HydrophobicContact CG-CG 3.65Å; Y1966-Q2022 WeakPolarHBondContact O-CB 3.47Å; Y1966-L2393 HydrophobicContact CE1-CD2 3.85Å
1967G72.3Confident73.3Confident31 Ų3150.4 Ų50.432%0.3229%0.291SS..  trans-78.1159.8-177.800000114.5S1965 T1969 N1970 M1971S1965-G1967 VanDerWaalsContact C-N 3.34Å; S1965-G1967 PolarHBondContact O-N 3.31Å; G1967-T1969 VanDerWaalsContact C-N 3.27Å; G1967-T1969 PolarHBondContact O-N 3.17Å; G1967-N1970 PolarHBondContact O-N 3.45Å; G1967-M1971 PolarHBondContact O-N 3.22Å
1968M74.6Confident74.2Confident86 Ų8651.7 Ų51.742%0.42430%0.295SS..Hα-helixtrans-55.3-40.8174.2-178.8-178.517600112.4N1970 M1971 I1972 F2023M1968-N1970 VanDerWaalsContact C-N 3.3Å; M1968-N1970 PolarHBondContact O-N 3.48Å; M1968-M1971 PolarHBondContact O-N 3.2Å; M1968-I1972 HydrophobicContact CE-CD1 3.92Å; M1968-I1972 HydrophobicContact CG-CD1 3.99Å; M1968-I1972 WeakPolarHBondContact O-CG1 3.49Å; M1968-I1972 PolarHBondContact O-N 3.26Å; M1968-F2023 HydrophobicContact CB-CD2 4.04Å; M1968-F2023 HydrophobicContact CG-CD2 4.25Å; M1968-F2023 HydrophobicContact CG-CE2 4.46Å; M1968-F2023 HydrophobicContact SD-CD2 3.96Å; M1968-F2023 HydrophobicContact SD-CE2 3.61Å
1969T72.8Confident75.3Confident111 Ų11155.4 Ų55.468%0.68132%0.315SS*.Hα-helixtrans-59-41.9176.3-44.90000111.6G1967 I1972 A1973G1967-T1969 VanDerWaalsContact C-N 3.27Å; G1967-T1969 PolarHBondContact O-N 3.17Å; T1969-I1972 PolarHBondContact O-N 2.76Å; T1969-A1973 WeakPolarHBondContact O-CB 3.3Å; T1969-A1973 PolarHBondContact O-N 3.42Å
1970N81.1Confident76.4Confident34 Ų3456.9 Ų56.918%0.18231%0.312CS..Hα-helixtrans-72.3-41.6179.9-71.116.8000111.2S1965 G1967 M1968 I1972 A1973 F1974S1965-N1970 WeakPolarHBondContact O-CB 3.34Å; S1965-N1970 PolarHBondContact O-ND2 3.05Å; S1965-N1970 PolarHBondContact OG-ND2 3.1Å; G1967-N1970 PolarHBondContact O-N 3.45Å; M1968-N1970 VanDerWaalsContact C-N 3.3Å; M1968-N1970 PolarHBondContact O-N 3.48Å; N1970-I1972 VanDerWaalsContact C-N 3.28Å; N1970-I1972 PolarHBondContact O-N 3.4Å; N1970-A1973 PolarHBondContact O-N 3.03Å; N1970-F1974 WeakPolarHBondContact O-CB 3.43Å; N1970-F1974 PolarHBondContact O-N 3.42Å
1971M83.6Confident77.2Confident28 Ų2860.2 Ų60.214%0.13834%0.336CS..Hα-helixtrans-56.1-42.9171.1-174.8-17853.300111.9G1967 M1968 K1975 C2019G1967-M1971 PolarHBondContact O-N 3.22Å; M1968-M1971 PolarHBondContact O-N 3.2Å; M1971-K1975 HydrophobicContact CG-CD 4.2Å; M1971-K1975 WeakPolarHBondContact O-CB 3.5Å; M1971-K1975 VanDerWaalsContact O-CG 3.28Å; M1971-K1975 WeakPolarHBondContact O-CG 3.33Å; M1971-K1975 PolarHBondContact O-N 3.35Å; M1971-C2019 HydrophobicContact CB-CB 3.72Å; M1971-C2019 HydrophobicContact CG-CB 4.08Å; M1971-C2019 HydrophobicContact SD-CB 4.24Å
1972I84.1Confident78.1Confident88 Ų8863.4 Ų63.445%0.45135%0.345SS..Hα-helixtrans-67.9-49.1178.1-68.9167.4000110.4M1968 T1969 N1970 F1974 K1975 V1976M1968-I1972 HydrophobicContact CE-CD1 3.92Å; M1968-I1972 HydrophobicContact CG-CD1 3.99Å; M1968-I1972 WeakPolarHBondContact O-CG1 3.49Å; M1968-I1972 PolarHBondContact O-N 3.26Å; T1969-I1972 PolarHBondContact O-N 2.76Å; N1970-I1972 VanDerWaalsContact C-N 3.28Å; N1970-I1972 PolarHBondContact O-N 3.4Å; I1972-F1974 VanDerWaalsContact C-N 3.31Å; I1972-F1974 PolarHBondContact O-N 3.18Å; I1972-K1975 PolarHBondContact O-N 3.41Å; I1972-V1976 HydrophobicContact CG2-CG2 4.49Å; I1972-V1976 WeakPolarHBondContact O-CB 3.47Å; I1972-V1976 WeakPolarHBondContact O-CG2 3.47Å; I1972-V1976 PolarHBondContact O-N 3.04Å
1973A80.2Confident78.9Confident35 Ų3563.2 Ų63.229%0.28934%0.344SS..Hα-helixtrans-62.2-37.2179.500000112.6L1962 T1969 N1970 V1976 F1977L1962-A1973 HydrophobicContact CD2-CB 3.86Å; T1969-A1973 WeakPolarHBondContact O-CB 3.3Å; T1969-A1973 PolarHBondContact O-N 3.42Å; N1970-A1973 PolarHBondContact O-N 3.03Å; A1973-V1976 PolarHBondContact O-N 3.23Å; A1973-F1977 VanDerWaalsContact O-CB 3.31Å; A1973-F1977 WeakPolarHBondContact O-CB 3.42Å; A1973-F1977 PolarHBondContact O-N 3.31Å
1974F85.8Confident79.7Confident4 Ų463.6 Ų63.62%0.01835%0.346CS..Hα-helixtrans-71.7-39.9176.4-170.9-113.5000112.4L1962 T1963 N1970 I1972 F1977 M1978 A2012 F2015L1962-F1974 HydrophobicContact CB-CB 4.46Å; L1962-F1974 HydrophobicContact CB-CD2 4.2Å; T1963-F1974 HydrophobicContact CG2-CD2 3.68Å; T1963-F1974 HydrophobicContact CG2-CE2 3.34Å; T1963-F1974 HydrophobicContact CG2-CG 4.41Å; T1963-F1974 HydrophobicContact CG2-CZ 3.81Å; N1970-F1974 WeakPolarHBondContact O-CB 3.43Å; N1970-F1974 PolarHBondContact O-N 3.42Å; I1972-F1974 VanDerWaalsContact C-N 3.31Å; I1972-F1974 PolarHBondContact O-N 3.18Å; F1974-F1977 WeakPolarHBondContact O-CB 3.4Å; F1974-F1977 PolarHBondContact O-N 3.37Å; F1974-M1978 HydrophobicContact CD1-CE 4.12Å; F1974-M1978 HydrophobicContact CD1-SD 4.05Å; F1974-M1978 HydrophobicContact CD2-CE 4.5Å; F1974-M1978 HydrophobicContact CE1-CE 3.37Å; F1974-M1978 HydrophobicContact CE1-SD 3.78Å; F1974-M1978 HydrophobicContact CE2-CE 3.8Å; F1974-M1978 HydrophobicContact CZ-CE 3.2Å; F1974-M1978 HydrophobicContact CZ-SD 4.2Å; F1974-M1978 WeakPolarHBondContact O-CG 3.27Å; F1974-M1978 PolarHBondContact O-N 3.12Å; F1974-A2012 HydrophobicContact CE1-CB 4.41Å; F1974-A2012 HydrophobicContact CZ-CB 4.42Å; F1974-F2015 HydrophobicContact CB-CE1 4.06Å; F1974-F2015 AromaticContact CD1-CD1 3.41Å; F1974-F2015 HydrophobicContact CD1-CD1 3.41Å; F1974-F2015 VanDerWaalsContact CD1-CD1 3.41Å; F1974-F2015 AromaticContact CD1-CE1 3.71Å; F1974-F2015 HydrophobicContact CD1-CE1 3.71Å; F1974-F2015 HydrophobicContact CD2-CE1 4.49Å; F1974-F2015 HydrophobicContact CE1-CB 4.33Å; F1974-F2015 AromaticContact CE1-CD1 3.44Å; F1974-F2015 HydrophobicContact CE1-CD1 3.44Å; F1974-F2015 VanDerWaalsContact CE1-CD1 3.44Å; F1974-F2015 HydrophobicContact CE1-CE1 4.17Å; F1974-F2015 HydrophobicContact CE1-CG 4.21Å; F1974-F2015 HydrophobicContact CG-CD1 4Å; F1974-F2015 AromaticContact CG-CE1 3.87Å; F1974-F2015 HydrophobicContact CG-CE1 3.87Å; F1974-F2015 HydrophobicContact CZ-CD1 4.08Å
1975K85.2Confident80.7Confident94 Ų9465.2 Ų65.241%0.40935%0.353SS..Hα-helixtrans-65.7-36.7170.6-73.9179.8-175.4-177.90112.1M1971 I1972 M1978 N1979 N2016M1971-K1975 HydrophobicContact CG-CD 4.2Å; M1971-K1975 WeakPolarHBondContact O-CB 3.5Å; M1971-K1975 VanDerWaalsContact O-CG 3.28Å; M1971-K1975 WeakPolarHBondContact O-CG 3.33Å; M1971-K1975 PolarHBondContact O-N 3.35Å; I1972-K1975 PolarHBondContact O-N 3.41Å; K1975-M1978 PolarHBondContact O-N 3Å; K1975-N1979 WeakPolarHBondContact O-CB 3.25Å; K1975-N1979 PolarHBondContact O-N 2.71Å; K1975-N1979 PolarHBondContact O-ND2 3.5Å; K1975-N1979 VanDerWaalsContact O-ND2 3.08Å; K1975-N2016 WeakPolarHBondContact CE-OD1 3.45Å; K1975-N2016 WeakPolarHBondContact CG-OD1 3.4Å
1976V82.6Confident81.5Confident79 Ų7967.1 Ų67.148%0.47936%0.359SS..Hα-helixtrans-63.6-47.4171.6168.90000110.4I1972 A1973 M1978 N1979 I1980I1972-V1976 HydrophobicContact CG2-CG2 4.49Å; I1972-V1976 WeakPolarHBondContact O-CB 3.47Å; I1972-V1976 WeakPolarHBondContact O-CG2 3.47Å; I1972-V1976 PolarHBondContact O-N 3.04Å; A1973-V1976 PolarHBondContact O-N 3.23Å; V1976-M1978 VanDerWaalsContact C-N 3.26Å; V1976-M1978 PolarHBondContact O-N 3.2Å; V1976-N1979 PolarHBondContact O-N 3.26Å; V1976-I1980 HydrophobicContact CG1-CD1 4.45Å; V1976-I1980 WeakPolarHBondContact O-CG1 3.42Å; V1976-I1980 PolarHBondContact O-N 2.76Å; V1976-I1980 VanDerWaalsContact O-N 3.15Å
1977F83.1Confident82Confident24 Ų2468.1 Ų68.111%0.10536%0.362CS..Hα-helixtrans-53.8-40.1175.5175.1-86.5000112.7L1962 A1973 F1974 L1983 F1984L1962-F1977 HydrophobicContact CD1-CB 3.79Å; L1962-F1977 HydrophobicContact CD1-CD2 3.93Å; L1962-F1977 HydrophobicContact CD1-CG 3.96Å; A1973-F1977 VanDerWaalsContact O-CB 3.31Å; A1973-F1977 WeakPolarHBondContact O-CB 3.42Å; A1973-F1977 PolarHBondContact O-N 3.31Å; F1974-F1977 WeakPolarHBondContact O-CB 3.4Å; F1974-F1977 PolarHBondContact O-N 3.37Å; F1977-L1983 HydrophobicContact CD2-CD2 3.68Å; F1977-L1983 HydrophobicContact CE1-CD2 4.32Å; F1977-L1983 HydrophobicContact CE2-CD2 3.21Å; F1977-L1983 HydrophobicContact CG-CD2 4.39Å; F1977-L1983 HydrophobicContact CZ-CD2 3.56Å; F1977-F1984 HydrophobicContact CE1-CD2 4.22Å
1978M82.1Confident82.7Confident51 Ų5166.6 Ų66.625%0.25135%0.347SS..Hα-helixtrans-75.3-29.4175.9-73.3173.8168.300114.3F1974 K1975 V1976 I1980 F1984 A2012F1974-M1978 HydrophobicContact CD1-CE 4.12Å; F1974-M1978 HydrophobicContact CD1-SD 4.05Å; F1974-M1978 HydrophobicContact CD2-CE 4.5Å; F1974-M1978 HydrophobicContact CE1-CE 3.37Å; F1974-M1978 HydrophobicContact CE1-SD 3.78Å; F1974-M1978 HydrophobicContact CE2-CE 3.8Å; F1974-M1978 HydrophobicContact CZ-CE 3.2Å; F1974-M1978 HydrophobicContact CZ-SD 4.2Å; F1974-M1978 WeakPolarHBondContact O-CG 3.27Å; F1974-M1978 PolarHBondContact O-N 3.12Å; K1975-M1978 PolarHBondContact O-N 3Å; V1976-M1978 VanDerWaalsContact C-N 3.26Å; V1976-M1978 PolarHBondContact O-N 3.2Å; M1978-I1980 VanDerWaalsContact C-N 3.31Å; M1978-F1984 HydrophobicContact CE-CD2 4.05Å; M1978-F1984 HydrophobicContact CE-CE2 3.81Å; M1978-F1984 HydrophobicContact CG-CD2 4.39Å; M1978-A2012 HydrophobicContact CE-CB 3.25Å; M1978-A2012 HydrophobicContact SD-CB 4.12Å
1979N82Confident83.4Confident132 Ų13264 Ų6471%0.70634%0.339SS*.Hα-helixtrans-79.7-9.6177.1-71.7-29.6000113.5K1975 V1976K1975-N1979 WeakPolarHBondContact O-CB 3.25Å; K1975-N1979 PolarHBondContact O-N 2.71Å; K1975-N1979 PolarHBondContact O-ND2 3.5Å; K1975-N1979 VanDerWaalsContact O-ND2 3.08Å; V1976-N1979 PolarHBondContact O-N 3.26Å
1980I81.9Confident84.1Confident74 Ų7459.7 Ų59.738%0.37931%0.312SS..SBendtrans-76.9119.1174.1-64.5163.8000108.5V1976 M1978 F1982 L1983V1976-I1980 HydrophobicContact CG1-CD1 4.45Å; V1976-I1980 WeakPolarHBondContact O-CG1 3.42Å; V1976-I1980 PolarHBondContact O-N 2.76Å; V1976-I1980 VanDerWaalsContact O-N 3.15Å; M1978-I1980 VanDerWaalsContact C-N 3.31Å; I1980-F1982 PolarHBondContact O-N 3.46Å; I1980-L1983 HydrophobicContact CB-CB 4.01Å; I1980-L1983 HydrophobicContact CB-CD1 4.23Å; I1980-L1983 HydrophobicContact CD1-CD1 4.07Å; I1980-L1983 HydrophobicContact CG2-CB 3.7Å; I1980-L1983 HydrophobicContact CG2-CD1 3.76Å; I1980-L1983 HydrophobicContact CG2-CG 4.39Å; I1980-L1983 PolarHBondContact O-N 3.5Å
1981P81.5Confident84.4Confident101 Ų10158.5 Ų58.566%0.65631%0.305SS*.THydrogen-bonded Turntrans-60.9140.2-174.625.6-35000111.4L1983P1981-L1983 PolarHBondContact O-N 3.37Å
1982F83.5Confident84.7Confident168 Ų16861.3 Ų61.374%0.73731%0.314SS*.THydrogen-bonded Turntrans60.1-11.8-176.2-48.1-73.1000116.8I1980 E1985 L1986I1980-F1982 PolarHBondContact O-N 3.46Å; F1982-E1985 PolarHBondContact O-N 3.49Å; F1982-L1986 WeakPolarHBondContact O-CB 3.4Å; F1982-L1986 PolarHBondContact O-N 3.33Å
1983L82.8Confident85Confident38 Ų3860.9 Ų60.920%0.19932%0.316CS..Hα-helixtrans-70.9-43.6-172.5-165.1158.6000112.2F1977 I1980 P1981 R1987F1977-L1983 HydrophobicContact CD2-CD2 3.68Å; F1977-L1983 HydrophobicContact CE1-CD2 4.32Å; F1977-L1983 HydrophobicContact CE2-CD2 3.21Å; F1977-L1983 HydrophobicContact CG-CD2 4.39Å; F1977-L1983 HydrophobicContact CZ-CD2 3.56Å; I1980-L1983 HydrophobicContact CB-CB 4.01Å; I1980-L1983 HydrophobicContact CB-CD1 4.23Å; I1980-L1983 HydrophobicContact CD1-CD1 4.07Å; I1980-L1983 HydrophobicContact CG2-CB 3.7Å; I1980-L1983 HydrophobicContact CG2-CD1 3.76Å; I1980-L1983 HydrophobicContact CG2-CG 4.39Å; I1980-L1983 PolarHBondContact O-N 3.5Å; P1981-L1983 PolarHBondContact O-N 3.37Å; L1983-R1987 WeakPolarHBondContact O-CB 3.42Å; L1983-R1987 PolarHBondContact O-N 3.41Å
1984F85Confident85.4Confident13 Ų1363.8 Ų63.86%0.05732%0.32CS..Hα-helixtrans-60.1-52.5171.6178.1-105.7000111.1F1977 M1978 L1986 R1987 T1988 E2008 N2009F1977-F1984 HydrophobicContact CE1-CD2 4.22Å; M1978-F1984 HydrophobicContact CE-CD2 4.05Å; M1978-F1984 HydrophobicContact CE-CE2 3.81Å; M1978-F1984 HydrophobicContact CG-CD2 4.39Å; F1984-L1986 PolarHBondContact O-N 2.92Å; F1984-R1987 PolarHBondContact O-N 3.4Å; F1984-T1988 HydrophobicContact CD2-CG2 4.44Å; F1984-T1988 HydrophobicContact CE1-CG2 4.38Å; F1984-T1988 HydrophobicContact CE2-CG2 4.08Å; F1984-T1988 HydrophobicContact CZ-CG2 4.06Å; F1984-T1988 PolarHBondContact O-N 2.85Å; F1984-T1988 PolarHBondContact O-OG1 2.91Å; F1984-E2008 HydrophobicContact CZ-CB 4.11Å; F1984-N2009 WeakPolarHBondContact CE1-OD1 3.4Å
1985E86Confident85.3Confident94 Ų9465.9 Ų65.944%0.43933%0.333SS..Hα-helixtrans-58.4-43-179.7-50.4-64.2130.300113.5F1982 T1988 A1989 F2005F1982-E1985 PolarHBondContact O-N 3.49Å; E1985-T1988 PolarHBondContact O-OG1 3.26Å; E1985-T1988 VanDerWaalsContact O-OG1 3.08Å; E1985-A1989 VanDerWaalsContact O-CB 3.28Å; E1985-A1989 WeakPolarHBondContact O-CB 3.25Å; E1985-A1989 PolarHBondContact O-N 3.32Å; E1985-F2005 HydrophobicContact CB-CE1 4.44Å; E1985-F2005 WeakPolarHBondContact OE2-CE1 3.43Å
1986L85.5Confident85.3Confident95 Ų9564.6 Ų64.650%0.49733%0.331SS..Hα-helixtrans-70.2-39.3178.7-17573.2000110.4F1982 F1984 I1990F1982-L1986 WeakPolarHBondContact O-CB 3.4Å; F1982-L1986 PolarHBondContact O-N 3.33Å; F1984-L1986 PolarHBondContact O-N 2.92Å; L1986-I1990 HydrophobicContact CD1-CD1 4.13Å; L1986-I1990 HydrophobicContact CD2-CD1 4.33Å; L1986-I1990 HydrophobicContact CG-CD1 3.76Å; L1986-I1990 HydrophobicContact CG-CG1 4.46Å; L1986-I1990 WeakPolarHBondContact O-CB 3.19Å; L1986-I1990 WeakPolarHBondContact O-CG1 3.27Å; L1986-I1990 PolarHBondContact O-N 3.1Å
1987R86.4Confident85.6Confident50 Ų5062.3 Ų62.319%0.18932%0.317CS..Hα-helixtrans-62.6-52.9174.7179.8-169153.4-129.7-28.6110.6L1983 F1984 A1989 I1990 D1991 E2008L1983-R1987 WeakPolarHBondContact O-CB 3.42Å; L1983-R1987 PolarHBondContact O-N 3.41Å; F1984-R1987 PolarHBondContact O-N 3.4Å; R1987-A1989 VanDerWaalsContact C-N 3.27Å; R1987-A1989 PolarHBondContact O-N 3.34Å; R1987-I1990 PolarHBondContact O-N 3.22Å; R1987-D1991 WeakPolarHBondContact CG-OD2 3.43Å; R1987-D1991 IonicContact CZ-OD2 2.77Å; R1987-D1991 IonicContact NE-OD2 3.26Å; R1987-D1991 PolarHBondContact NE-OD2 2.89Å; R1987-D1991 IonicContact NH2-OD2 3.24Å; R1987-D1991 PolarHBondContact NH2-OD2 3.05Å; R1987-D1991 VanDerWaalsContact O-CB 3.29Å; R1987-D1991 WeakPolarHBondContact O-CB 3.45Å; R1987-D1991 VanDerWaalsContact O-CG 3.29Å; R1987-D1991 PolarHBondContact O-N 3.09Å; R1987-E2008 IonicContact NH1-OE2 2.8Å; R1987-E2008 IonicContact NH2-OE1 3.58Å; R1987-E2008 PolarHBondContact NH2-OE1 2.93Å; R1987-E2008 IonicContact NH2-OE2 3.51Å
1988T87Confident85.8Confident0 Ų063 Ų630%032%0.324CS..Hα-helixtrans-62.5-37.1-176.951.20000111.5F1984 E1985 W1992 F2005 E2008F1984-T1988 HydrophobicContact CD2-CG2 4.44Å; F1984-T1988 HydrophobicContact CE1-CG2 4.38Å; F1984-T1988 HydrophobicContact CE2-CG2 4.08Å; F1984-T1988 HydrophobicContact CZ-CG2 4.06Å; F1984-T1988 PolarHBondContact O-N 2.85Å; F1984-T1988 PolarHBondContact O-OG1 2.91Å; E1985-T1988 PolarHBondContact O-OG1 3.26Å; E1985-T1988 VanDerWaalsContact O-OG1 3.08Å; T1988-W1992 VanDerWaalsContact O-CB 3.25Å; T1988-W1992 WeakPolarHBondContact O-CB 3.4Å; T1988-W1992 PolarHBondContact O-N 2.89Å; T1988-F2005 WeakPolarHBondContact OG1-CE1 3.26Å; T1988-F2005 WeakPolarHBondContact OG1-CZ 3.46Å; T1988-E2008 HydrophobicContact CG2-CB 3.94Å; T1988-E2008 HydrophobicContact CG2-CG 3.84Å
1989A89Confident85.9Confident32 Ų3260.7 Ų60.726%0.26431%0.313SS..Hα-helixtrans-63.5-48.5171.600000112.8E1985 R1987 W1992 T1993E1985-A1989 VanDerWaalsContact O-CB 3.28Å; E1985-A1989 WeakPolarHBondContact O-CB 3.25Å; E1985-A1989 PolarHBondContact O-N 3.32Å; R1987-A1989 VanDerWaalsContact C-N 3.27Å; R1987-A1989 PolarHBondContact O-N 3.34Å; A1989-W1992 PolarHBondContact O-N 3.22Å; A1989-T1993 WeakPolarHBondContact O-CG2 3.46Å; A1989-T1993 PolarHBondContact O-N 3.28Å; A1989-T1993 PolarHBondContact O-OG1 2.8Å
1990I88.4Confident86.3Confident20 Ų2057 Ų5710%0.10330%0.296CS..Hα-helixtrans-64.3-46.2179-69.1168.5000110.9I1884 R1887 L1986 R1987 W1992 T1993 W1994I1884-I1990 HydrophobicContact CG1-CD1 3.92Å; I1884-I1990 HydrophobicContact CG2-CD1 4.47Å; R1887-I1990 HydrophobicContact CB-CG2 4.14Å; R1887-I1990 HydrophobicContact CG-CG2 3.54Å; L1986-I1990 HydrophobicContact CD1-CD1 4.13Å; L1986-I1990 HydrophobicContact CD2-CD1 4.33Å; L1986-I1990 HydrophobicContact CG-CD1 3.76Å; L1986-I1990 HydrophobicContact CG-CG1 4.46Å; L1986-I1990 WeakPolarHBondContact O-CB 3.19Å; L1986-I1990 WeakPolarHBondContact O-CG1 3.27Å; L1986-I1990 PolarHBondContact O-N 3.1Å; R1987-I1990 PolarHBondContact O-N 3.22Å; I1990-W1992 VanDerWaalsContact C-N 3.29Å; I1990-W1992 PolarHBondContact O-N 3.07Å; I1990-T1993 WeakPolarHBondContact CA-OG1 3.41Å; I1990-T1993 PolarHBondContact O-N 3.31Å; I1990-T1993 VanDerWaalsContact O-N 3.1Å; I1990-T1993 PolarHBondContact O-OG1 2.82Å; I1990-W1994 PolarHBondContact O-N 2.9Å
1991D86.8Confident86.6Confident8 Ų856 Ų564%0.04329%0.291CS..Hα-helixtrans-60.7-38.7178.5-71.6-2.7000110.5R1887 R1987 T1995 F2004R1887-D1991 IonicContact CZ-OD1 3.76Å; R1887-D1991 IonicContact NE-OD1 3.33Å; R1887-D1991 PolarHBondContact NE-OD1 3.45Å; R1887-D1991 IonicContact NH2-OD1 3.45Å; R1887-D1991 PolarHBondContact NH2-OD1 3.13Å; R1887-D1991 IonicContact NH2-OD2 3.36Å; R1887-D1991 PolarHBondContact NH2-OD2 3.37Å; R1987-D1991 WeakPolarHBondContact CG-OD2 3.43Å; R1987-D1991 IonicContact CZ-OD2 2.77Å; R1987-D1991 IonicContact NE-OD2 3.26Å; R1987-D1991 PolarHBondContact NE-OD2 2.89Å; R1987-D1991 IonicContact NH2-OD2 3.24Å; R1987-D1991 PolarHBondContact NH2-OD2 3.05Å; R1987-D1991 VanDerWaalsContact O-CB 3.29Å; R1987-D1991 WeakPolarHBondContact O-CB 3.45Å; R1987-D1991 VanDerWaalsContact O-CG 3.29Å; R1987-D1991 PolarHBondContact O-N 3.09Å; D1991-T1995 WeakPolarHBondContact O-CB 3.21Å; D1991-T1995 PolarHBondContact O-N 2.81Å; D1991-T1995 VanDerWaalsContact O-N 3.1Å; D1991-T1995 PolarHBondContact O-OG1 3.47Å; D1991-F2004 HydrophobicContact CB-CZ 4.35Å
1992W90.6Very high86.9Confident87 Ų8759 Ų5933%0.3330%0.295SS..Hα-helixtrans-66.6-39.9171.3178.982.1000113.4T1988 A1989 I1990 W1994 M1999 L2001 F2004T1988-W1992 VanDerWaalsContact O-CB 3.25Å; T1988-W1992 WeakPolarHBondContact O-CB 3.4Å; T1988-W1992 PolarHBondContact O-N 2.89Å; A1989-W1992 PolarHBondContact O-N 3.22Å; I1990-W1992 VanDerWaalsContact C-N 3.29Å; I1990-W1992 PolarHBondContact O-N 3.07Å; W1992-W1994 VanDerWaalsContact C-N 3.34Å; W1992-W1994 PolarHBondContact O-N 3.11Å; W1992-M1999 PolarHBondContact NE1-O 3.45Å; W1992-L2001 HydrophobicContact CB-CD1 4.15Å; W1992-L2001 HydrophobicContact CD2-CB 4.25Å; W1992-L2001 HydrophobicContact CD2-CD1 3.73Å; W1992-L2001 HydrophobicContact CE3-CD1 3.79Å; W1992-L2001 HydrophobicContact CG-CD1 3.89Å; W1992-L2001 HydrophobicContact CH2-CB 4.41Å; W1992-L2001 HydrophobicContact CZ2-CB 4.14Å; W1992-L2001 HydrophobicContact CZ3-CD1 4.48Å; W1992-F2004 HydrophobicContact CB-CD1 4.2Å; W1992-F2004 HydrophobicContact CB-CD2 4.3Å; W1992-F2004 HydrophobicContact CB-CE1 4.2Å; W1992-F2004 HydrophobicContact CB-CE2 4.27Å; W1992-F2004 HydrophobicContact CB-CG 4.25Å; W1992-F2004 HydrophobicContact CB-CZ 4.23Å; W1992-F2004 AromaticContact CD1-CD2 3.69Å; W1992-F2004 AromaticContact CD1-CG 3.86Å; W1992-F2004 HydrophobicContact CG-CD2 4.41Å; W1992-F2004 HydrophobicContact CG-CG 4.41Å
1993T89.9Confident87.2Confident80 Ų8051.4 Ų51.449%0.49126%0.262SS..Hα-helixtrans-70.6-22.1-179.153.40000115.3A1989 I1990A1989-T1993 WeakPolarHBondContact O-CG2 3.46Å; A1989-T1993 PolarHBondContact O-N 3.28Å; A1989-T1993 PolarHBondContact O-OG1 2.8Å; I1990-T1993 WeakPolarHBondContact CA-OG1 3.41Å; I1990-T1993 PolarHBondContact O-N 3.31Å; I1990-T1993 VanDerWaalsContact O-N 3.1Å; I1990-T1993 PolarHBondContact O-OG1 2.82Å
1994W87.5Confident87.6Confident95 Ų9549.7 Ų49.736%0.3625%0.253SS..Hα-helixtrans-117.7-7.2-175.1-65.2106000114.9A1888 L1891 R1892 I1990 W1992A1888-W1994 HydrophobicContact CB-CD2 3.89Å; A1888-W1994 HydrophobicContact CB-CG 4.21Å; A1888-W1994 HydrophobicContact CB-CZ2 3.9Å; L1891-W1994 HydrophobicContact CB-CB 4.03Å; L1891-W1994 HydrophobicContact CD1-CB 3.77Å; R1892-W1994 HydrophobicContact CG-CE3 4.21Å; I1990-W1994 PolarHBondContact O-N 2.9Å; W1992-W1994 VanDerWaalsContact C-N 3.34Å; W1992-W1994 PolarHBondContact O-N 3.11Å
1995T84.4Confident87.9Confident48 Ų4850.5 Ų50.529%0.29426%0.256SS..SBendtrans-100.1133.2173.1-480000109.5D1991 T1997 R2403D1991-T1995 WeakPolarHBondContact O-CB 3.21Å; D1991-T1995 PolarHBondContact O-N 2.81Å; D1991-T1995 VanDerWaalsContact O-N 3.1Å; D1991-T1995 PolarHBondContact O-OG1 3.47Å; T1995-T1997 PolarHBondContact O-N 2.97Å; T1995-R2403 HydrophobicContact CG2-CG 4.21Å
1996D86.1Confident88.1Confident68 Ų6849.2 Ų49.236%0.36425%0.252SS..  trans-68.4118.4173-48.8-33.4000108.9R1892 R2403 K2406 F2408R1892-D1996 IonicContact NH1-OD1 2.69Å; D1996-R2403 WeakPolarHBondContact O-CG 3.38Å; D1996-K2406 WeakPolarHBondContact OD2-CE 3.3Å; D1996-K2406 IonicContact OD2-NZ 2.78Å; D1996-K2406 PolarHBondContact OD2-NZ 3.34Å; D1996-F2408 HydrophobicContact CB-CE1 4.48Å; D1996-F2408 HydrophobicContact CB-CZ 3.92Å; D1996-F2408 WeakPolarHBondContact O-CE1 3.39Å
1997T88.2Confident88.2Confident31 Ų3144.7 Ų44.719%0.1923%0.228CC..  trans-150.4154.2179.4174.50000109.8T1995 M1999 F2004 E2411T1995-T1997 PolarHBondContact O-N 2.97Å; T1997-M1999 PolarHBondContact OG1-N 2.85Å; T1997-F2004 HydrophobicContact CG2-CD2 4.16Å; T1997-F2004 HydrophobicContact CG2-CE2 4.24Å; T1997-E2411 PolarHBondContact OG1-OE1 3.34Å; T1997-E2411 PolarHBondContact OG1-OE2 2.82Å
1998S86.7Confident88.4Confident37 Ų3742.6 Ų42.626%0.25922%0.221SC..  trans-95.9-5.6176.565.90000114.5F2408 E2411 Q2412S1998-F2408 PolarHBondContact OG-O 2.95Å; S1998-E2411 PolarHBondContact N-OE2 2.96Å; S1998-E2411 PolarHBondContact OG-OE2 3.18Å; S1998-Q2412 VanDerWaalsContact CB-NE2 3.33Å; S1998-Q2412 WeakPolarHBondContact OG-CG 3.48Å; S1998-Q2412 PolarHBondContact OG-NE2 3.43Å
1999M85.2Confident88.5Confident3 Ų346.2 Ų46.22%0.01524%0.24CC..SBendtrans-79.2135.6-178-64.1-177-177.700112W1992 T1997 F2004 I2399 R2403 E2411 F2415W1992-M1999 PolarHBondContact NE1-O 3.45Å; T1997-M1999 PolarHBondContact OG1-N 2.85Å; M1999-F2004 HydrophobicContact CB-CB 4.42Å; M1999-I2399 HydrophobicContact CE-CG2 4.07Å; M1999-R2403 PolarHBondContact SD-NH2 2.97Å; M1999-E2411 HydrophobicContact CE-CG 3.9Å; M1999-E2411 VanDerWaalsContact CE-O 3.24Å; M1999-E2411 WeakPolarHBondContact CE-O 3.44Å; M1999-F2415 HydrophobicContact CE-CB 3.45Å; M1999-F2415 VanDerWaalsContact CE-CB 3.45Å; M1999-F2415 HydrophobicContact CE-CD1 4.19Å; M1999-F2415 HydrophobicContact CE-CD2 4.14Å; M1999-F2415 HydrophobicContact CE-CG 3.68Å; M1999-F2415 HydrophobicContact SD-CD2 4.43Å; M1999-F2415 HydrophobicContact SD-CG 4.3Å
2000P89.5Confident88.5Confident54 Ų5447.1 Ų47.135%0.35124%0.238SC..  trans-67.6149.2167.430.5-33.4000110.2Y1392 F2002 D2003 F2004Y1392-P2000 HydrophobicContact CD1-CG 4.38Å; Y1392-P2000 HydrophobicContact CE1-CG 3.59Å; Y1392-P2000 WeakPolarHBondContact OH-CD 3.31Å; P2000-F2002 VanDerWaalsContact C-N 3.33Å; P2000-F2002 PolarHBondContact O-N 2.82Å; P2000-F2002 VanDerWaalsContact O-N 3.1Å; P2000-D2003 HydrophobicContact CG-CB 4.1Å; P2000-D2003 PolarHBondContact O-N 3.03Å; P2000-F2004 PolarHBondContact O-N 3.24Å; P2000-F2004 VanDerWaalsContact O-N 3.13Å
2001L88.3Confident88.6Confident54 Ų5446.9 Ų46.928%0.28324%0.236SC..Hα-helixtrans-44.2-49.8-171.9-178.362.8000114.3W1992 D2003 F2004 F2005W1992-L2001 HydrophobicContact CB-CD1 4.15Å; W1992-L2001 HydrophobicContact CD2-CB 4.25Å; W1992-L2001 HydrophobicContact CD2-CD1 3.73Å; W1992-L2001 HydrophobicContact CE3-CD1 3.79Å; W1992-L2001 HydrophobicContact CG-CD1 3.89Å; W1992-L2001 HydrophobicContact CH2-CB 4.41Å; W1992-L2001 HydrophobicContact CZ2-CB 4.14Å; W1992-L2001 HydrophobicContact CZ3-CD1 4.48Å; L2001-D2003 VanDerWaalsContact C-N 3.27Å; L2001-D2003 PolarHBondContact O-N 3.12Å; L2001-F2004 WeakPolarHBondContact O-CB 3.42Å; L2001-F2004 PolarHBondContact O-N 3.08Å; L2001-F2005 HydrophobicContact CD1-CD2 3.92Å; L2001-F2005 HydrophobicContact CD1-CE2 3.69Å; L2001-F2005 HydrophobicContact CD2-CE2 4.41Å; L2001-F2005 HydrophobicContact CG-CD2 3.91Å; L2001-F2005 HydrophobicContact CG-CE2 3.86Å; L2001-F2005 VanDerWaalsContact O-CD2 3.31Å; L2001-F2005 WeakPolarHBondContact O-CD2 3.41Å; L2001-F2005 PolarHBondContact O-N 3.2Å
2002F89.2Confident88.6Confident165 Ų16546.9 Ų46.972%0.72424%0.237SC*.Hα-helixtrans-63.5-28.2-179-67.6-65.1000114.2P2000 F2005 N2006P2000-F2002 VanDerWaalsContact C-N 3.33Å; P2000-F2002 PolarHBondContact O-N 2.82Å; P2000-F2002 VanDerWaalsContact O-N 3.1Å; F2002-F2005 WeakPolarHBondContact O-CB 3.09Å; F2002-N2006 PolarHBondContact O-N 3.38Å; F2002-N2006 PolarHBondContact O-ND2 2.88Å
2003D89.8Confident88.5Confident8 Ų846.1 Ų46.14%0.04324%0.237CC..Hα-helixtrans-85.2-31.7177.7-77.1-32.7000112.6Y1392 K1396 P2000 L2001 F2005 N2006 M2007 F2415Y1392-D2003 WeakPolarHBondContact OH-CB 3.41Å; Y1392-D2003 VanDerWaalsContact OH-CG 3.29Å; Y1392-D2003 PolarHBondContact OH-OD2 3.02Å; K1396-D2003 WeakPolarHBondContact CE-OD1 3.48Å; K1396-D2003 WeakPolarHBondContact CE-OD2 3.46Å; K1396-D2003 IonicContact NZ-OD1 3.73Å; K1396-D2003 PolarHBondContact NZ-OD1 3.32Å; K1396-D2003 IonicContact NZ-OD2 2.73Å; K1396-D2003 PolarHBondContact NZ-OD2 3.2Å; P2000-D2003 HydrophobicContact CG-CB 4.1Å; P2000-D2003 PolarHBondContact O-N 3.03Å; L2001-D2003 VanDerWaalsContact C-N 3.27Å; L2001-D2003 PolarHBondContact O-N 3.12Å; D2003-F2005 VanDerWaalsContact C-N 3.3Å; D2003-N2006 PolarHBondContact O-N 3.4Å; D2003-N2006 PolarHBondContact OD1-ND2 2.98Å; D2003-N2006 VanDerWaalsContact OD1-ND2 3.11Å; D2003-M2007 WeakPolarHBondContact O-CB 3.25Å; D2003-M2007 PolarHBondContact O-N 3.46Å; D2003-F2415 HydrophobicContact CB-CE1 3.62Å; D2003-F2415 HydrophobicContact CB-CZ 3.64Å; D2003-F2415 WeakPolarHBondContact O-CZ 3.3Å
2004F90.6Very high88.4Confident2 Ų242.3 Ų42.31%0.00921%0.214CC..Hα-helixtrans-58.4-44.9164.3-169.4-77.2000110.7D1991 W1992 T1997 M1999 P2000 L2001 M2007 E2008D1991-F2004 HydrophobicContact CB-CZ 4.35Å; W1992-F2004 HydrophobicContact CB-CD1 4.2Å; W1992-F2004 HydrophobicContact CB-CD2 4.3Å; W1992-F2004 HydrophobicContact CB-CE1 4.2Å; W1992-F2004 HydrophobicContact CB-CE2 4.27Å; W1992-F2004 HydrophobicContact CB-CG 4.25Å; W1992-F2004 HydrophobicContact CB-CZ 4.23Å; W1992-F2004 AromaticContact CD1-CD2 3.69Å; W1992-F2004 AromaticContact CD1-CG 3.86Å; W1992-F2004 HydrophobicContact CG-CD2 4.41Å; W1992-F2004 HydrophobicContact CG-CG 4.41Å; T1997-F2004 HydrophobicContact CG2-CD2 4.16Å; T1997-F2004 HydrophobicContact CG2-CE2 4.24Å; M1999-F2004 HydrophobicContact CB-CB 4.42Å; P2000-F2004 PolarHBondContact O-N 3.24Å; P2000-F2004 VanDerWaalsContact O-N 3.13Å; L2001-F2004 WeakPolarHBondContact O-CB 3.42Å; L2001-F2004 PolarHBondContact O-N 3.08Å; F2004-M2007 PolarHBondContact O-N 2.88Å; F2004-E2008 HydrophobicContact CD1-CG 4.15Å; F2004-E2008 HydrophobicContact CE1-CG 3.93Å; F2004-E2008 PolarHBondContact O-N 3.24Å
2005F91.6Very high88.5Confident29 Ų2937.8 Ų37.813%0.12720%0.197CC..Hα-helixtrans-58.3-44.4171.5-93.7-74.6000113E1985 T1988 L2001 F2002 D2003 M2007 N2009E1985-F2005 HydrophobicContact CB-CE1 4.44Å; E1985-F2005 WeakPolarHBondContact OE2-CE1 3.43Å; T1988-F2005 WeakPolarHBondContact OG1-CE1 3.26Å; T1988-F2005 WeakPolarHBondContact OG1-CZ 3.46Å; L2001-F2005 HydrophobicContact CD1-CD2 3.92Å; L2001-F2005 HydrophobicContact CD1-CE2 3.69Å; L2001-F2005 HydrophobicContact CD2-CE2 4.41Å; L2001-F2005 HydrophobicContact CG-CD2 3.91Å; L2001-F2005 HydrophobicContact CG-CE2 3.86Å; L2001-F2005 VanDerWaalsContact O-CD2 3.31Å; L2001-F2005 WeakPolarHBondContact O-CD2 3.41Å; L2001-F2005 PolarHBondContact O-N 3.2Å; F2002-F2005 WeakPolarHBondContact O-CB 3.09Å; D2003-F2005 VanDerWaalsContact C-N 3.3Å; F2005-M2007 VanDerWaalsContact C-N 3.34Å; F2005-M2007 PolarHBondContact O-N 3.11Å; F2005-N2009 VanDerWaalsContact O-CB 3.31Å; F2005-N2009 WeakPolarHBondContact O-CB 3.16Å; F2005-N2009 PolarHBondContact O-N 3.04Å; F2005-N2009 PolarHBondContact O-ND2 2.84Å
2006N89.8Confident88.7Confident67 Ų6736.8 Ų36.836%0.35819%0.189SC..Hα-helixtrans-61.4-42.6176-70.4-36.6000111.6F2002 D2003 N2009 F2010 F2415F2002-N2006 PolarHBondContact O-N 3.38Å; F2002-N2006 PolarHBondContact O-ND2 2.88Å; D2003-N2006 PolarHBondContact O-N 3.4Å; D2003-N2006 PolarHBondContact OD1-ND2 2.98Å; D2003-N2006 VanDerWaalsContact OD1-ND2 3.11Å; N2006-N2009 PolarHBondContact O-N 3.31Å; N2006-F2010 HydrophobicContact CB-CE2 4.22Å; N2006-F2010 WeakPolarHBondContact O-CD2 3.36Å; N2006-F2010 WeakPolarHBondContact O-CG 3.18Å; N2006-F2010 PolarHBondContact O-N 2.95Å; N2006-F2415 HydrophobicContact CB-CZ 4.41Å
2007M88.3Confident88.8Confident0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-63.9-48.4179.2-164.5-78.1-70.400112.2D2003 F2004 F2005 N2009 F2010 Y2011 I2399 Y2400 F2415D2003-M2007 WeakPolarHBondContact O-CB 3.25Å; D2003-M2007 PolarHBondContact O-N 3.46Å; F2004-M2007 PolarHBondContact O-N 2.88Å; F2005-M2007 VanDerWaalsContact C-N 3.34Å; F2005-M2007 PolarHBondContact O-N 3.11Å; M2007-N2009 VanDerWaalsContact C-N 3.31Å; M2007-N2009 PolarHBondContact O-N 2.84Å; M2007-F2010 PolarHBondContact O-N 3.3Å; M2007-Y2011 PolarHBondContact O-N 3.24Å; M2007-I2399 HydrophobicContact CE-CG2 4.16Å; M2007-I2399 HydrophobicContact CG-CD1 4.4Å; M2007-I2399 HydrophobicContact CG-CG2 4.37Å; M2007-I2399 HydrophobicContact SD-CG2 4.34Å; M2007-Y2400 HydrophobicContact CE-CD1 4.24Å; M2007-Y2400 HydrophobicContact CE-CE1 3.63Å; M2007-Y2400 HydrophobicContact SD-CE1 4.46Å; M2007-F2415 HydrophobicContact CB-CD2 4.07Å; M2007-F2415 HydrophobicContact CB-CE2 3.76Å; M2007-F2415 HydrophobicContact CG-CD2 4.05Å; M2007-F2415 HydrophobicContact CG-CE2 4.24Å
2008E88.8Confident88.8Confident6 Ų634.1 Ų34.13%0.02817%0.172CC..Hα-helixtrans-61.8-37.1174.9-73.7-89.7175.600111.6F1984 R1987 T1988 F2004 Y2011 A2012 Y2400F1984-E2008 HydrophobicContact CZ-CB 4.11Å; R1987-E2008 IonicContact NH1-OE2 2.8Å; R1987-E2008 IonicContact NH2-OE1 3.58Å; R1987-E2008 PolarHBondContact NH2-OE1 2.93Å; R1987-E2008 IonicContact NH2-OE2 3.51Å; T1988-E2008 HydrophobicContact CG2-CB 3.94Å; T1988-E2008 HydrophobicContact CG2-CG 3.84Å; F2004-E2008 HydrophobicContact CD1-CG 4.15Å; F2004-E2008 HydrophobicContact CE1-CG 3.93Å; F2004-E2008 PolarHBondContact O-N 3.24Å; E2008-Y2011 PolarHBondContact O-N 3.25Å; E2008-A2012 WeakPolarHBondContact O-CB 3.29Å; E2008-A2012 PolarHBondContact O-N 3.42Å; E2008-Y2400 PolarHBondContact OE1-OH 3.27Å
2009N89.2Confident88.9Confident77 Ų7732.4 Ų32.441%0.41216%0.16SC..Hα-helixtrans-67.3-35174.2-81.5-41.9000113.5F1984 F2005 N2006 M2007 A2012 H2013F1984-N2009 WeakPolarHBondContact CE1-OD1 3.4Å; F2005-N2009 VanDerWaalsContact O-CB 3.31Å; F2005-N2009 WeakPolarHBondContact O-CB 3.16Å; F2005-N2009 PolarHBondContact O-N 3.04Å; F2005-N2009 PolarHBondContact O-ND2 2.84Å; N2006-N2009 PolarHBondContact O-N 3.31Å; M2007-N2009 VanDerWaalsContact C-N 3.31Å; M2007-N2009 PolarHBondContact O-N 2.84Å; N2009-A2012 WeakPolarHBondContact O-CB 3.46Å; N2009-H2013 PolarHBondContact O-N 3.24Å; N2009-H2013 VanDerWaalsContact O-N 3.17Å
2010F89.4Confident89Confident51 Ų5133.8 Ų33.822%0.22417%0.172CC..Hα-helixtrans-69-48.4172.3-66-45.5000111.2N2006 M2007 A2012 H2013 I2014 L2418 F2422N2006-F2010 HydrophobicContact CB-CE2 4.22Å; N2006-F2010 WeakPolarHBondContact O-CD2 3.36Å; N2006-F2010 WeakPolarHBondContact O-CG 3.18Å; N2006-F2010 PolarHBondContact O-N 2.95Å; M2007-F2010 PolarHBondContact O-N 3.3Å; F2010-A2012 VanDerWaalsContact C-N 3.28Å; F2010-A2012 PolarHBondContact O-N 3.21Å; F2010-H2013 PolarHBondContact O-N 3.49Å; F2010-H2013 VanDerWaalsContact O-N 3.09Å; F2010-I2014 HydrophobicContact CB-CD1 4.47Å; F2010-I2014 WeakPolarHBondContact O-CD1 3.39Å; F2010-I2014 VanDerWaalsContact O-CG1 3.26Å; F2010-I2014 WeakPolarHBondContact O-CG1 3.32Å; F2010-I2014 PolarHBondContact O-N 3.36Å; F2010-L2418 HydrophobicContact CB-CD2 4.28Å; F2010-L2418 HydrophobicContact CD2-CD2 4.05Å; F2010-L2418 HydrophobicContact CD2-CG 4.4Å; F2010-F2422 HydrophobicContact CB-CE2 3.75Å; F2010-F2422 HydrophobicContact CB-CZ 4.24Å; F2010-F2422 AromaticContact CD1-CD2 3.68Å; F2010-F2422 HydrophobicContact CD1-CD2 3.68Å; F2010-F2422 HydrophobicContact CD1-CE1 4.44Å; F2010-F2422 AromaticContact CD1-CE2 3.51Å; F2010-F2422 HydrophobicContact CD1-CE2 3.51Å; F2010-F2422 HydrophobicContact CD1-CG 4.23Å; F2010-F2422 AromaticContact CD1-CZ 3.92Å; F2010-F2422 HydrophobicContact CD1-CZ 3.92Å; F2010-F2422 HydrophobicContact CD2-CD2 4.14Å; F2010-F2422 HydrophobicContact CD2-CE2 4.13Å; F2010-F2422 HydrophobicContact CE1-CB 4.46Å; F2010-F2422 AromaticContact CE1-CD2 3.78Å; F2010-F2422 HydrophobicContact CE1-CD2 3.78Å; F2010-F2422 HydrophobicContact CE1-CE2 4.11Å; F2010-F2422 HydrophobicContact CE1-CG 4.03Å; F2010-F2422 HydrophobicContact CE2-CD2 4.23Å; F2010-F2422 AromaticContact CG-CD2 3.88Å; F2010-F2422 HydrophobicContact CG-CD2 3.88Å; F2010-F2422 AromaticContact CG-CE2 3.54Å; F2010-F2422 HydrophobicContact CG-CE2 3.54Å; F2010-F2422 HydrophobicContact CG-CZ 4.24Å; F2010-F2422 HydrophobicContact CZ-CD2 4.06Å; F2010-F2422 HydrophobicContact CZ-CG 4.46Å
2011Y89.7Confident88.9Confident15 Ų1534.2 Ų34.26%0.05917%0.167CC..Hα-helixtrans-56.3-43.4175.7177.2-110.5000111.6T1963 M2007 E2008 H2013 I2014 F2015 L2393 C2396 L2397 Y2400T1963-Y2011 WeakPolarHBondContact CB-OH 3.27Å; T1963-Y2011 HydrophobicContact CG2-CE1 4.22Å; T1963-Y2011 PolarHBondContact OG1-OH 3.17Å; M2007-Y2011 PolarHBondContact O-N 3.24Å; E2008-Y2011 PolarHBondContact O-N 3.25Å; Y2011-H2013 PolarHBondContact O-N 2.87Å; Y2011-I2014 PolarHBondContact O-N 3.46Å; Y2011-F2015 VanDerWaalsContact O-CB 3.24Å; Y2011-F2015 WeakPolarHBondContact O-CB 3.4Å; Y2011-F2015 PolarHBondContact O-N 3.27Å; Y2011-L2393 HydrophobicContact CD2-CD1 3.99Å; Y2011-L2393 HydrophobicContact CE2-CD1 3.61Å; Y2011-C2396 HydrophobicContact CD2-CB 3.66Å; Y2011-C2396 HydrophobicContact CE2-CB 4.49Å; Y2011-C2396 HydrophobicContact CG-CB 4.42Å; Y2011-L2397 HydrophobicContact CE2-CD2 4.45Å; Y2011-Y2400 HydrophobicContact CD1-CE2 4.17Å; Y2011-Y2400 VanDerWaalsContact CD1-OH 3.31Å; Y2011-Y2400 WeakPolarHBondContact CD1-OH 3.42Å; Y2011-Y2400 AromaticContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CE1-CE2 4.29Å; Y2011-Y2400 HydrophobicContact CE2-CE2 4.03Å; Y2011-Y2400 AromaticContact CG-CE2 3.99Å; Y2011-Y2400 HydrophobicContact CG-CE2 3.99Å
2012A88Confident88.6Confident7 Ų735.8 Ų35.86%0.05817%0.173CC..Hα-helixtrans-54-48.2172.900000113F1974 M1978 E2008 N2009 F2010 N2016F1974-A2012 HydrophobicContact CE1-CB 4.41Å; F1974-A2012 HydrophobicContact CZ-CB 4.42Å; M1978-A2012 HydrophobicContact CE-CB 3.25Å; M1978-A2012 HydrophobicContact SD-CB 4.12Å; E2008-A2012 WeakPolarHBondContact O-CB 3.29Å; E2008-A2012 PolarHBondContact O-N 3.42Å; N2009-A2012 WeakPolarHBondContact O-CB 3.46Å; F2010-A2012 VanDerWaalsContact C-N 3.28Å; F2010-A2012 PolarHBondContact O-N 3.21Å; A2012-N2016 PolarHBondContact O-N 3.43Å; A2012-N2016 PolarHBondContact O-ND2 3.39Å
2013H87.5Confident88.3Confident71 Ų7131.4 Ų31.433%0.32915%0.154SC..Hα-helixtrans-69.7-45.8-178.5-161-90.1000111.6N2009 F2010 Y2011 N2016 I2017 F2383N2009-H2013 PolarHBondContact O-N 3.24Å; N2009-H2013 VanDerWaalsContact O-N 3.17Å; F2010-H2013 PolarHBondContact O-N 3.49Å; F2010-H2013 VanDerWaalsContact O-N 3.09Å; Y2011-H2013 PolarHBondContact O-N 2.87Å; H2013-N2016 PolarHBondContact O-N 3.38Å; H2013-I2017 WeakPolarHBondContact O-CG1 3.47Å; H2013-I2017 PolarHBondContact O-N 3.02Å; H2013-F2383 PolarHBondContact CE1-O 3.1Å
2014I89.3Confident87.9Confident1 Ų136.1 Ų36.11%0.00518%0.175CC..Hα-helixtrans-60.4-46.9178.2-64.7158.8000111F2010 Y2011 N2016 I2017 K2018 A2389 L2392 L2393 F2422F2010-I2014 HydrophobicContact CB-CD1 4.47Å; F2010-I2014 WeakPolarHBondContact O-CD1 3.39Å; F2010-I2014 VanDerWaalsContact O-CG1 3.26Å; F2010-I2014 WeakPolarHBondContact O-CG1 3.32Å; F2010-I2014 PolarHBondContact O-N 3.36Å; Y2011-I2014 PolarHBondContact O-N 3.46Å; I2014-N2016 VanDerWaalsContact C-N 3.34Å; I2014-N2016 PolarHBondContact O-N 3.33Å; I2014-I2017 PolarHBondContact O-N 3.38Å; I2014-I2017 VanDerWaalsContact O-N 3.14Å; I2014-K2018 PolarHBondContact O-N 3.38Å; I2014-A2389 HydrophobicContact CG2-CB 4.36Å; I2014-L2392 HydrophobicContact CD1-CB 3.81Å; I2014-L2392 HydrophobicContact CG1-CB 4.08Å; I2014-L2392 HydrophobicContact CG1-CD1 4.44Å; I2014-L2392 HydrophobicContact CG2-CB 4.08Å; I2014-L2393 HydrophobicContact CG2-CB 3.78Å; I2014-L2393 HydrophobicContact CG2-CD1 4.17Å; I2014-F2422 HydrophobicContact CD1-CE2 4.33Å; I2014-F2422 HydrophobicContact CD1-CZ 3.98Å; I2014-F2422 HydrophobicContact CG1-CZ 4.19Å
2015F88.4Confident87.2Confident0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-58.8-44.1178.2175.9-95.3000112L1962 T1963 Y1966 F1974 Y2011 I2017 K2018 C2019L1962-F2015 WeakPolarHBondContact O-CZ 3.49Å; T1963-F2015 HydrophobicContact CG2-CD1 4.06Å; T1963-F2015 HydrophobicContact CG2-CD2 4Å; T1963-F2015 HydrophobicContact CG2-CE1 3.99Å; T1963-F2015 HydrophobicContact CG2-CE2 3.96Å; T1963-F2015 HydrophobicContact CG2-CG 4.06Å; T1963-F2015 HydrophobicContact CG2-CZ 3.95Å; T1963-F2015 WeakPolarHBondContact O-CE2 3.44Å; Y1966-F2015 AromaticContact CD1-CD2 3.86Å; Y1966-F2015 HydrophobicContact CD1-CD2 3.86Å; Y1966-F2015 AromaticContact CD1-CE2 3.49Å; Y1966-F2015 HydrophobicContact CD1-CE2 3.49Å; Y1966-F2015 VanDerWaalsContact CD1-CE2 3.49Å; Y1966-F2015 HydrophobicContact CD1-CZ 4.42Å; Y1966-F2015 AromaticContact CE1-CD2 3.72Å; Y1966-F2015 HydrophobicContact CE1-CD2 3.72Å; Y1966-F2015 AromaticContact CE1-CE2 3.6Å; Y1966-F2015 HydrophobicContact CE1-CE2 3.6Å; F1974-F2015 HydrophobicContact CB-CE1 4.06Å; F1974-F2015 AromaticContact CD1-CD1 3.41Å; F1974-F2015 HydrophobicContact CD1-CD1 3.41Å; F1974-F2015 VanDerWaalsContact CD1-CD1 3.41Å; F1974-F2015 AromaticContact CD1-CE1 3.71Å; F1974-F2015 HydrophobicContact CD1-CE1 3.71Å; F1974-F2015 HydrophobicContact CD2-CE1 4.49Å; F1974-F2015 HydrophobicContact CE1-CB 4.33Å; F1974-F2015 AromaticContact CE1-CD1 3.44Å; F1974-F2015 HydrophobicContact CE1-CD1 3.44Å; F1974-F2015 VanDerWaalsContact CE1-CD1 3.44Å; F1974-F2015 HydrophobicContact CE1-CE1 4.17Å; F1974-F2015 HydrophobicContact CE1-CG 4.21Å; F1974-F2015 HydrophobicContact CG-CD1 4Å; F1974-F2015 AromaticContact CG-CE1 3.87Å; F1974-F2015 HydrophobicContact CG-CE1 3.87Å; F1974-F2015 HydrophobicContact CZ-CD1 4.08Å; Y2011-F2015 VanDerWaalsContact O-CB 3.24Å; Y2011-F2015 WeakPolarHBondContact O-CB 3.4Å; Y2011-F2015 PolarHBondContact O-N 3.27Å; F2015-I2017 VanDerWaalsContact C-N 3.28Å; F2015-I2017 PolarHBondContact O-N 2.85Å; F2015-K2018 PolarHBondContact O-N 3.31Å; F2015-C2019 WeakPolarHBondContact CE1-SG 3.47Å; F2015-C2019 WeakPolarHBondContact CZ-SG 3.42Å; F2015-C2019 PolarHBondContact O-N 3.49Å; F2015-C2019 PolarHBondContact O-SG 3.33Å; F2015-C2019 VanDerWaalsContact O-SG 3.37Å
2016N88.5Confident86.2Confident26 Ų2639 Ų3914%0.13921%0.205CC..Hα-helixtrans-61.3-34.9177.1-84.8-68.8000112.8K1975 A2012 H2013 I2014 A2020K1975-N2016 WeakPolarHBondContact CE-OD1 3.45Å; K1975-N2016 WeakPolarHBondContact CG-OD1 3.4Å; A2012-N2016 PolarHBondContact O-N 3.43Å; A2012-N2016 PolarHBondContact O-ND2 3.39Å; H2013-N2016 PolarHBondContact O-N 3.38Å; I2014-N2016 VanDerWaalsContact C-N 3.34Å; I2014-N2016 PolarHBondContact O-N 3.33Å; N2016-A2020 PolarHBondContact O-N 2.89Å; N2016-A2020 VanDerWaalsContact O-N 3.14Å
2017I89.2Confident85.5Confident12 Ų1238.9 Ų38.96%0.06220%0.2CC..Hα-helixtrans-71.3-45.3174.8-62.6160000110.6H2013 I2014 F2015 C2019 A2020 R2021 F2383 L2386 A2389H2013-I2017 WeakPolarHBondContact O-CG1 3.47Å; H2013-I2017 PolarHBondContact O-N 3.02Å; I2014-I2017 PolarHBondContact O-N 3.38Å; I2014-I2017 VanDerWaalsContact O-N 3.14Å; F2015-I2017 VanDerWaalsContact C-N 3.28Å; F2015-I2017 PolarHBondContact O-N 2.85Å; I2017-C2019 VanDerWaalsContact C-N 3.29Å; I2017-C2019 PolarHBondContact O-N 2.91Å; I2017-A2020 WeakPolarHBondContact O-CA 3.46Å; I2017-A2020 WeakPolarHBondContact O-CB 3.38Å; I2017-A2020 PolarHBondContact O-N 3.44Å; I2017-R2021 HydrophobicContact CG2-CG 4.29Å; I2017-R2021 PolarHBondContact O-N 2.96Å; I2017-F2383 WeakPolarHBondContact CD1-O 3.29Å; I2017-L2386 HydrophobicContact CD1-CD1 4.18Å; I2017-A2389 HydrophobicContact CB-CB 4.42Å; I2017-A2389 HydrophobicContact CG2-CB 4.03Å
2018K88.2Confident84.8Confident32 Ų3240.2 Ų40.214%0.13921%0.209CC..Hα-helixtrans-56.2-44.1176.3178.455.3164.1-173.50111.4Y1966 I2014 F2015 A2020 R2021 Q2022 D2390 L2393Y1966-K2018 HydrophobicContact CD1-CB 4.12Å; Y1966-K2018 HydrophobicContact CD1-CG 3.39Å; Y1966-K2018 HydrophobicContact CD2-CG 4.28Å; Y1966-K2018 HydrophobicContact CE1-CG 3.84Å; Y1966-K2018 HydrophobicContact CG-CG 3.65Å; I2014-K2018 PolarHBondContact O-N 3.38Å; F2015-K2018 PolarHBondContact O-N 3.31Å; K2018-A2020 VanDerWaalsContact C-N 3.35Å; K2018-A2020 PolarHBondContact O-N 3.17Å; K2018-R2021 PolarHBondContact O-N 3.19Å; K2018-Q2022 WeakPolarHBondContact O-CB 3.39Å; K2018-Q2022 PolarHBondContact O-N 2.82Å; K2018-D2390 WeakPolarHBondContact CD-OD1 3.49Å; K2018-D2390 WeakPolarHBondContact CE-OD1 3.32Å; K2018-D2390 IonicContact NZ-OD1 2.66Å; K2018-D2390 PolarHBondContact NZ-OD1 3.34Å; K2018-D2390 IonicContact NZ-OD2 2.76Å; K2018-D2390 PolarHBondContact NZ-OD2 2.88Å; K2018-L2393 HydrophobicContact CB-CD2 4.43Å; K2018-L2393 HydrophobicContact CG-CD2 4.12Å
2019C88.8Confident84Confident0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-64.2-36173.8-64.10000113.7M1971 F2015 I2017 F2023M1971-C2019 HydrophobicContact CB-CB 3.72Å; M1971-C2019 HydrophobicContact CG-CB 4.08Å; M1971-C2019 HydrophobicContact SD-CB 4.24Å; F2015-C2019 WeakPolarHBondContact CE1-SG 3.47Å; F2015-C2019 WeakPolarHBondContact CZ-SG 3.42Å; F2015-C2019 PolarHBondContact O-N 3.49Å; F2015-C2019 PolarHBondContact O-SG 3.33Å; F2015-C2019 VanDerWaalsContact O-SG 3.37Å; I2017-C2019 VanDerWaalsContact C-N 3.29Å; I2017-C2019 PolarHBondContact O-N 2.91Å; C2019-F2023 WeakPolarHBondContact O-CB 3.34Å; C2019-F2023 PolarHBondContact O-N 3.48Å
2020A87Confident83.1Confident33 Ų3341.6 Ų41.627%0.27323%0.229SC..Hα-helixtrans-65.7-46.217600000111.4N2016 I2017 K2018 F2023 E2024N2016-A2020 PolarHBondContact O-N 2.89Å; N2016-A2020 VanDerWaalsContact O-N 3.14Å; I2017-A2020 WeakPolarHBondContact O-CA 3.46Å; I2017-A2020 WeakPolarHBondContact O-CB 3.38Å; I2017-A2020 PolarHBondContact O-N 3.44Å; K2018-A2020 VanDerWaalsContact C-N 3.35Å; K2018-A2020 PolarHBondContact O-N 3.17Å; A2020-F2023 WeakPolarHBondContact O-CB 3.3Å; A2020-F2023 PolarHBondContact O-N 3.37Å; A2020-E2024 WeakPolarHBondContact O-CG 3.36Å; A2020-E2024 PolarHBondContact O-N 2.97Å
2021R87.1Confident82.3Confident63 Ų6351.2 Ų51.224%0.23826%0.264CS..Hα-helixtrans-66.3-37.5176.3-59-50.3-179-155.4-4.1112.3I2017 K2018 F2023 E2024 A2025 E2385 L2386I2017-R2021 HydrophobicContact CG2-CG 4.29Å; I2017-R2021 PolarHBondContact O-N 2.96Å; K2018-R2021 PolarHBondContact O-N 3.19Å; R2021-F2023 VanDerWaalsContact C-N 3.34Å; R2021-F2023 PolarHBondContact O-N 3.01Å; R2021-E2024 WeakPolarHBondContact CD-OE2 3.33Å; R2021-E2024 IonicContact CZ-OE2 3.16Å; R2021-E2024 IonicContact NE-OE2 2.65Å; R2021-E2024 IonicContact NH1-OE1 3.08Å; R2021-E2024 PolarHBondContact NH1-OE1 3.49Å; R2021-E2024 IonicContact NH1-OE2 2.79Å; R2021-E2024 PolarHBondContact NH1-OE2 3.2Å; R2021-E2024 PolarHBondContact O-N 3.41Å; R2021-A2025 PolarHBondContact O-N 2.92Å; R2021-E2385 IonicContact CZ-OE2 3.37Å; R2021-E2385 IonicContact NH1-OE2 3.86Å; R2021-E2385 IonicContact NH2-OE2 2.74Å; R2021-E2385 PolarHBondContact NH2-OE2 2.93Å; R2021-L2386 PolarHBondContact NE-O 3.45Å; R2021-L2386 PolarHBondContact NH2-O 3.31Å; R2021-L2386 VanDerWaalsContact NH2-O 3.1Å
2022Q82.5Confident81.4Confident87 Ų8754.4 Ų54.441%0.40730%0.301SS..Hα-helixtrans-65.8-35.8173.7-16569.42300112.2Y1966 K2018 A2025 A2026Y1966-Q2022 WeakPolarHBondContact O-CB 3.47Å; K2018-Q2022 WeakPolarHBondContact O-CB 3.39Å; K2018-Q2022 PolarHBondContact O-N 2.82Å; Q2022-A2025 PolarHBondContact O-N 3.05Å; Q2022-A2026 WeakPolarHBondContact O-CB 3.39Å; Q2022-A2026 PolarHBondContact O-N 2.96Å
2023F82.8Confident80.5Confident73 Ų7358.4 Ų58.432%0.3232%0.321SS..Hα-helixtrans-66.8-41.2172.4170.2-97.2000112.1M1968 C2019 A2020 R2021 A2025 A2026 Y2027M1968-F2023 HydrophobicContact CB-CD2 4.04Å; M1968-F2023 HydrophobicContact CG-CD2 4.25Å; M1968-F2023 HydrophobicContact CG-CE2 4.46Å; M1968-F2023 HydrophobicContact SD-CD2 3.96Å; M1968-F2023 HydrophobicContact SD-CE2 3.61Å; C2019-F2023 WeakPolarHBondContact O-CB 3.34Å; C2019-F2023 PolarHBondContact O-N 3.48Å; A2020-F2023 WeakPolarHBondContact O-CB 3.3Å; A2020-F2023 PolarHBondContact O-N 3.37Å; R2021-F2023 VanDerWaalsContact C-N 3.34Å; R2021-F2023 PolarHBondContact O-N 3.01Å; F2023-A2025 VanDerWaalsContact C-N 3.3Å; F2023-A2025 PolarHBondContact O-N 3.31Å; F2023-A2026 PolarHBondContact O-N 3.07Å; F2023-Y2027 AromaticContact CD2-CD2 3.44Å; F2023-Y2027 HydrophobicContact CD2-CD2 3.44Å; F2023-Y2027 VanDerWaalsContact CD2-CD2 3.44Å; F2023-Y2027 AromaticContact CD2-CE2 3.81Å; F2023-Y2027 HydrophobicContact CD2-CE2 3.81Å; F2023-Y2027 HydrophobicContact CD2-CG 4.41Å; F2023-Y2027 AromaticContact CE2-CD2 3.39Å; F2023-Y2027 HydrophobicContact CE2-CD2 3.39Å; F2023-Y2027 AromaticContact CE2-CE2 3.8Å; F2023-Y2027 HydrophobicContact CE2-CE2 3.8Å; F2023-Y2027 HydrophobicContact CE2-CG 4.01Å; F2023-Y2027 HydrophobicContact CG-CD2 4.35Å; F2023-Y2027 HydrophobicContact CZ-CD2 4.26Å; F2023-Y2027 PolarHBondContact O-N 3.06Å
2024E81Confident79.7Confident106 Ų10660 Ų6050%0.49534%0.337SS..Hα-helixtrans-62.2-35.9174.6-71.9175.315400112.3A2020 R2021A2020-E2024 WeakPolarHBondContact O-CG 3.36Å; A2020-E2024 PolarHBondContact O-N 2.97Å; R2021-E2024 WeakPolarHBondContact CD-OE2 3.33Å; R2021-E2024 IonicContact CZ-OE2 3.16Å; R2021-E2024 IonicContact NE-OE2 2.65Å; R2021-E2024 IonicContact NH1-OE1 3.08Å; R2021-E2024 PolarHBondContact NH1-OE1 3.49Å; R2021-E2024 IonicContact NH1-OE2 2.79Å; R2021-E2024 PolarHBondContact NH1-OE2 3.2Å; R2021-E2024 PolarHBondContact O-N 3.41Å
2025A76.1Confident78.9Confident52 Ų5267.8 Ų67.843%0.4337%0.371SS..Hα-helixtrans-69.6-45.1172.600000112.8R2021 Q2022 F2023 Y2027R2021-A2025 PolarHBondContact O-N 2.92Å; Q2022-A2025 PolarHBondContact O-N 3.05Å; F2023-A2025 VanDerWaalsContact C-N 3.3Å; F2023-A2025 PolarHBondContact O-N 3.31Å; A2025-Y2027 VanDerWaalsContact C-N 3.32Å; A2025-Y2027 PolarHBondContact O-N 2.7Å
2026A71Confident78Confident41 Ų4168.6 Ų68.634%0.33938%0.379SS..Hα-helixtrans-73-19.3-177.100000114.6Q2022 F2023Q2022-A2026 WeakPolarHBondContact O-CB 3.39Å; Q2022-A2026 PolarHBondContact O-N 2.96Å; F2023-A2026 PolarHBondContact O-N 3.07Å
2027Y75.6Confident77.6Confident63 Ų6373.6 Ų73.625%0.24740%0.4CS..SBendtrans-128.263.5179.5-66-85.5000111.5Q1438 Y1441 F2023 A2025 A2029Q1438-Y2027 HydrophobicContact CG-CE1 4.38Å; Y1441-Y2027 AromaticContact CD1-CD1 3.86Å; Y1441-Y2027 HydrophobicContact CD1-CD1 3.86Å; Y1441-Y2027 HydrophobicContact CD2-CD1 4.11Å; Y1441-Y2027 HydrophobicContact CE1-CD1 4.27Å; Y1441-Y2027 AromaticContact CG-CD1 3.75Å; Y1441-Y2027 HydrophobicContact CG-CD1 3.75Å; Y1441-Y2027 HydrophobicContact CG-CE1 4.37Å; Y1441-Y2027 PolarHBondContact OH-O 3.34Å; F2023-Y2027 AromaticContact CD2-CD2 3.44Å; F2023-Y2027 HydrophobicContact CD2-CD2 3.44Å; F2023-Y2027 VanDerWaalsContact CD2-CD2 3.44Å; F2023-Y2027 AromaticContact CD2-CE2 3.81Å; F2023-Y2027 HydrophobicContact CD2-CE2 3.81Å; F2023-Y2027 HydrophobicContact CD2-CG 4.41Å; F2023-Y2027 AromaticContact CE2-CD2 3.39Å; F2023-Y2027 HydrophobicContact CE2-CD2 3.39Å; F2023-Y2027 AromaticContact CE2-CE2 3.8Å; F2023-Y2027 HydrophobicContact CE2-CE2 3.8Å; F2023-Y2027 HydrophobicContact CE2-CG 4.01Å; F2023-Y2027 HydrophobicContact CG-CD2 4.35Å; F2023-Y2027 HydrophobicContact CZ-CD2 4.26Å; F2023-Y2027 PolarHBondContact O-N 3.06Å; A2025-Y2027 VanDerWaalsContact C-N 3.32Å; A2025-Y2027 PolarHBondContact O-N 2.7Å; Y2027-A2029 PolarHBondContact O-N 3.36Å
2028P73.5Confident76.7Confident28 Ų2876.3 Ų76.318%0.18241%0.414CS..PPolyproline II helixtrans-61.2132-170.925.7-34.5000111.8A1470 L1471A1470-P2028 HydrophobicContact CB-CG 4.28Å; L1471-P2028 HydrophobicContact CB-CG 4.43Å; L1471-P2028 HydrophobicContact CD1-CB 4.34Å; L1471-P2028 HydrophobicContact CD1-CG 4.48Å
2029A71.3Confident76Confident75 Ų7578 Ų7862%0.6243%0.427SS*.PPolyproline II helixtrans-99.5125.5178.300000110.8Y2027 R2031Y2027-A2029 PolarHBondContact O-N 3.36Å; A2029-R2031 PolarHBondContact O-N 3.42Å
2030P70.5Confident75.5Confident37 Ų3783.9 Ų83.924%0.2445%0.453CS..PPolyproline II helixtrans-66.9128.3-177.826.1-34.8000112V1474 G2032 I2033V1474-P2030 HydrophobicContact CG1-CG 3.96Å; P2030-G2032 PolarHBondContact O-N 2.97Å; P2030-I2033 HydrophobicContact CB-CD1 3.82Å; P2030-I2033 HydrophobicContact CB-CG1 4.13Å; P2030-I2033 HydrophobicContact CG-CB 4.17Å; P2030-I2033 HydrophobicContact CG-CD1 3.69Å; P2030-I2033 HydrophobicContact CG-CG1 4.09Å; P2030-I2033 PolarHBondContact O-N 2.9Å
2031R72.4Confident75.2Confident254 Ų25490.4 Ų90.496%0.95847%0.471SS*.THydrogen-bonded Turntrans-62.8130.9-177.7-174.7177.7179.2-177.8-0.3111.2A2029A2029-R2031 PolarHBondContact O-N 3.42Å
2032G70.4Confident74.6Confident82 Ų8293.8 Ų93.885%0.84549%0.491SS*.THydrogen-bonded Turntrans88.5-9.4175.200000115.7P2030P2030-G2032 PolarHBondContact O-N 2.97Å
2033I69.1Low74.4Confident91 Ų9196.4 Ų96.447%0.46751%0.505SS..PPolyproline II helixtrans-83.4134.5178.3-57.7-164.6000110.3P2030 K2035P2030-I2033 HydrophobicContact CB-CD1 3.82Å; P2030-I2033 HydrophobicContact CB-CG1 4.13Å; P2030-I2033 HydrophobicContact CG-CB 4.17Å; P2030-I2033 HydrophobicContact CG-CD1 3.69Å; P2030-I2033 HydrophobicContact CG-CG1 4.09Å; P2030-I2033 PolarHBondContact O-N 2.9Å; I2033-K2035 PolarHBondContact O-N 3.44Å
2034P71.4Confident74.3Confident104 Ų10494.3 Ų94.368%0.67550%0.504SS*.PPolyproline II helixtrans-67.8130.5176.827.4-34.8000111.3G2036P2034-G2036 PolarHBondContact O-N 3.05Å
2035K73.1Confident74.4Confident164 Ų16495.3 Ų95.371%0.71351%0.507SS*.PPolyproline II helixtrans-50.8127.7174.5-72.4-166.3176.1-172.50111.1I2033 K2040I2033-K2035 PolarHBondContact O-N 3.44Å; K2035-K2040 WeakPolarHBondContact O-CE 3.31Å; K2035-K2040 PolarHBondContact O-NZ 3.25Å
2036G69.6Low74.6Confident17 Ų1796.2 Ų96.218%0.17551%0.509CS..PPolyproline II helixtrans-54.2153.5-173.800000114P2034 L2038 V2039P2034-G2036 PolarHBondContact O-N 3.05Å; G2036-L2038 VanDerWaalsContact C-N 3.35Å; G2036-L2038 PolarHBondContact O-N 3.42Å; G2036-V2039 PolarHBondContact O-N 3.5Å
2037K78.7Confident75Confident131 Ų13199.4 Ų99.457%0.5752%0.519SS*.Hα-helixtrans-67-40.1-167.8-58.9-176.1-16587.60111.4D1447 V2039 K2040 Y2041D1447-K2037 PolarHBondContact OD1-N 3.4Å; D1447-K2037 IonicContact OD2-NZ 2.63Å; D1447-K2037 PolarHBondContact OD2-NZ 3.39Å; K2037-V2039 PolarHBondContact O-N 2.75Å; K2037-K2040 PolarHBondContact O-N 2.93Å; K2037-Y2041 HydrophobicContact CB-CE2 4.39Å; K2037-Y2041 WeakPolarHBondContact O-CD2 3.45Å; K2037-Y2041 PolarHBondContact O-N 3.39Å
2038L70.9Confident75.4Confident70 Ų70101.5 Ų101.537%0.36653%0.534SS..Hα-helixtrans-59.5-44.2-179.2-172.4150.6000112.2L1448 G2036 K2040 Y2041 M2042L1448-L2038 HydrophobicContact CD1-CD1 3.97Å; G2036-L2038 VanDerWaalsContact C-N 3.35Å; G2036-L2038 PolarHBondContact O-N 3.42Å; L2038-K2040 VanDerWaalsContact C-N 3.32Å; L2038-K2040 PolarHBondContact O-N 2.92Å; L2038-Y2041 PolarHBondContact O-N 2.83Å; L2038-M2042 HydrophobicContact CD2-CG 3.73Å; L2038-M2042 HydrophobicContact CG-CG 4.24Å; L2038-M2042 WeakPolarHBondContact O-CB 3.46Å; L2038-M2042 VanDerWaalsContact O-CG 3.32Å; L2038-M2042 WeakPolarHBondContact O-CG 3.43Å; L2038-M2042 PolarHBondContact O-N 3.4Å
2039V73.2Confident76Confident68 Ų68103.6 Ų103.641%0.41254%0.542SS..Hα-helixtrans-61.6-40.3179.6-178.70000111.4G2036 K2037 M2043G2036-V2039 PolarHBondContact O-N 3.5Å; K2037-V2039 PolarHBondContact O-N 2.75Å; V2039-M2043 WeakPolarHBondContact O-CB 3.33Å; V2039-M2043 PolarHBondContact O-N 2.77Å
2040K79Confident76.2Confident122 Ų122101.9 Ų101.953%0.5353%0.532SS..Hα-helixtrans-64.1-44.2177.9-69.5171.1174.5155.10112.1K2035 K2037 L2038 G2044K2035-K2040 WeakPolarHBondContact O-CE 3.31Å; K2035-K2040 PolarHBondContact O-NZ 3.25Å; K2037-K2040 PolarHBondContact O-N 2.93Å; L2038-K2040 VanDerWaalsContact C-N 3.32Å; L2038-K2040 PolarHBondContact O-N 2.92Å; K2040-G2044 PolarHBondContact O-N 3.01Å
2041Y80.8Confident76.7Confident171 Ų171103.5 Ų103.567%0.67154%0.541SS*.Hα-helixtrans-68.8-46.8176.9-68.8-61.6000112K2037 L2038 M2043 G2044 F2045K2037-Y2041 HydrophobicContact CB-CE2 4.39Å; K2037-Y2041 WeakPolarHBondContact O-CD2 3.45Å; K2037-Y2041 PolarHBondContact O-N 3.39Å; L2038-Y2041 PolarHBondContact O-N 2.83Å; Y2041-M2043 VanDerWaalsContact C-N 3.28Å; Y2041-M2043 PolarHBondContact O-N 3.46Å; Y2041-G2044 PolarHBondContact O-N 2.75Å; Y2041-F2045 WeakPolarHBondContact O-CB 3.27Å; Y2041-F2045 PolarHBondContact O-N 2.66Å
2042M74.8Confident77.2Confident133 Ų13394.8 Ų94.866%0.65552%0.516SS*.Hα-helixtrans-63.6-30.1-179-70.9-61-66.400113.4L2038 P2046L2038-M2042 HydrophobicContact CD2-CG 3.73Å; L2038-M2042 HydrophobicContact CG-CG 4.24Å; L2038-M2042 WeakPolarHBondContact O-CB 3.46Å; L2038-M2042 VanDerWaalsContact O-CG 3.32Å; L2038-M2042 WeakPolarHBondContact O-CG 3.43Å; L2038-M2042 PolarHBondContact O-N 3.4Å; M2042-P2046 VanDerWaalsContact O-CD 3.25Å; M2042-P2046 WeakPolarHBondContact O-CD 3.21Å; M2042-P2046 VanDerWaalsContact O-CG 3.3Å; M2042-P2046 WeakPolarHBondContact O-CG 3.35Å
2043M78.1Confident77.7Confident142 Ų14295.9 Ų95.970%0.750%0.501SS*.Hα-helixtrans-84.7-46.3175-170.3178.7-177.600112.6V2039 Y2041 I2047V2039-M2043 WeakPolarHBondContact O-CB 3.33Å; V2039-M2043 PolarHBondContact O-N 2.77Å; Y2041-M2043 VanDerWaalsContact C-N 3.28Å; Y2041-M2043 PolarHBondContact O-N 3.46Å; M2043-I2047 VanDerWaalsContact O-CD1 3.31Å; M2043-I2047 WeakPolarHBondContact O-CD1 3.38Å; M2043-I2047 WeakPolarHBondContact O-CG1 3.34Å
2044G80.2Confident78.1Confident29 Ų2995.6 Ų95.630%0.29950%0.497SS..Hα-helixtrans-80.6-39.9-172.100000114.9K2040 Y2041 I2047 I2048K2040-G2044 PolarHBondContact O-N 3.01Å; Y2041-G2044 PolarHBondContact O-N 2.75Å; G2044-I2047 PolarHBondContact O-N 2.83Å; G2044-I2048 WeakPolarHBondContact O-CG1 3.46Å; G2044-I2048 PolarHBondContact O-N 3.18Å
2045F83.2Confident78.5Confident127 Ų12793.9 Ų93.956%0.55748%0.482SS*.Hα-helixtrans-68.4-41.8-172.1-173-116000113.6Y2041 I2047 I2048 I2049Y2041-F2045 WeakPolarHBondContact O-CB 3.27Å; Y2041-F2045 PolarHBondContact O-N 2.66Å; F2045-I2047 VanDerWaalsContact C-N 3.34Å; F2045-I2047 PolarHBondContact O-N 3.14Å; F2045-I2048 PolarHBondContact O-N 3.42Å; F2045-I2049 HydrophobicContact CD1-CD1 3.85Å; F2045-I2049 HydrophobicContact CD2-CD1 4.49Å; F2045-I2049 HydrophobicContact CE1-CD1 3.39Å; F2045-I2049 HydrophobicContact CE1-CG1 4.48Å; F2045-I2049 HydrophobicContact CE2-CD1 4.1Å; F2045-I2049 HydrophobicContact CE2-CG1 4.47Å; F2045-I2049 HydrophobicContact CG-CD1 4.39Å; F2045-I2049 HydrophobicContact CZ-CD1 3.54Å; F2045-I2049 HydrophobicContact CZ-CG1 4.38Å; F2045-I2049 PolarHBondContact O-N 3Å
2046P79.6Confident78.9Confident71 Ų7191.5 Ų91.546%0.46147%0.471SS..Hα-helixtrans-65.1-34.6176.1-23.636.6000113.4M2042 I2049 G2050M2042-P2046 VanDerWaalsContact O-CD 3.25Å; M2042-P2046 WeakPolarHBondContact O-CD 3.21Å; M2042-P2046 VanDerWaalsContact O-CG 3.3Å; M2042-P2046 WeakPolarHBondContact O-CG 3.35Å; P2046-I2049 PolarHBondContact O-N 3.28Å; P2046-G2050 PolarHBondContact O-N 3.14Å
2047I79.8Confident79.1Confident108 Ų10893.6 Ų93.655%0.55448%0.483SS*.Hα-helixtrans-64.1-45.3176.3-63.1174.5000110.1M2043 G2044 F2045 G2050 V2051M2043-I2047 VanDerWaalsContact O-CD1 3.31Å; M2043-I2047 WeakPolarHBondContact O-CD1 3.38Å; M2043-I2047 WeakPolarHBondContact O-CG1 3.34Å; G2044-I2047 PolarHBondContact O-N 2.83Å; F2045-I2047 VanDerWaalsContact C-N 3.34Å; F2045-I2047 PolarHBondContact O-N 3.14Å; I2047-G2050 PolarHBondContact O-N 3.45Å; I2047-V2051 WeakPolarHBondContact O-CG2 3.5Å; I2047-V2051 PolarHBondContact O-N 2.88Å; I2047-V2051 VanDerWaalsContact O-N 3.16Å
2048I84.1Confident78.6Confident108 Ų10889.9 Ų89.955%0.55447%0.472SS*.Hα-helixtrans-62.2-46.6176.5-66.1166000110.7G2044 F2045 G2050 V2051 V2052G2044-I2048 WeakPolarHBondContact O-CG1 3.46Å; G2044-I2048 PolarHBondContact O-N 3.18Å; F2045-I2048 PolarHBondContact O-N 3.42Å; I2048-G2050 PolarHBondContact O-N 3.04Å; I2048-V2051 PolarHBondContact O-N 3.5Å; I2048-V2052 WeakPolarHBondContact O-CG2 3.24Å; I2048-V2052 PolarHBondContact O-N 3.15Å
2049I85Confident78.6Confident71 Ų7190.2 Ų90.236%0.36447%0.474SS..Hα-helixtrans-61.4-44177.7-77179.8000111.7F2045 P2046 V2051 V2052 I2053F2045-I2049 HydrophobicContact CD1-CD1 3.85Å; F2045-I2049 HydrophobicContact CD2-CD1 4.49Å; F2045-I2049 HydrophobicContact CE1-CD1 3.39Å; F2045-I2049 HydrophobicContact CE1-CG1 4.48Å; F2045-I2049 HydrophobicContact CE2-CD1 4.1Å; F2045-I2049 HydrophobicContact CE2-CG1 4.47Å; F2045-I2049 HydrophobicContact CG-CD1 4.39Å; F2045-I2049 HydrophobicContact CZ-CD1 3.54Å; F2045-I2049 HydrophobicContact CZ-CG1 4.38Å; F2045-I2049 PolarHBondContact O-N 3Å; P2046-I2049 PolarHBondContact O-N 3.28Å; I2049-V2051 VanDerWaalsContact C-N 3.34Å; I2049-V2051 PolarHBondContact O-N 3.34Å; I2049-V2052 PolarHBondContact O-N 2.99Å; I2049-I2053 HydrophobicContact CG2-CD1 3.55Å; I2049-I2053 HydrophobicContact CG2-CG1 4.15Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.42Å; I2049-I2053 PolarHBondContact O-N 3.16Å
2050G77.4Confident78.5Confident40 Ų4092.1 Ų92.141%0.41248%0.481SS..Hα-helixtrans-58.6-44.1178.800000112.6P2046 I2047 I2048 F2054P2046-G2050 PolarHBondContact O-N 3.14Å; I2047-G2050 PolarHBondContact O-N 3.45Å; I2048-G2050 PolarHBondContact O-N 3.04Å; G2050-F2054 WeakPolarHBondContact O-CB 3.37Å; G2050-F2054 PolarHBondContact O-N 2.66Å
2051V80.6Confident77.9Confident70 Ų7091.1 Ų91.142%0.42448%0.482SS..Hα-helixtrans-64.6-43.3175.6173.20000111.6I2047 I2048 I2049 F2054 I2055I2047-V2051 WeakPolarHBondContact O-CG2 3.5Å; I2047-V2051 PolarHBondContact O-N 2.88Å; I2047-V2051 VanDerWaalsContact O-N 3.16Å; I2048-V2051 PolarHBondContact O-N 3.5Å; I2049-V2051 VanDerWaalsContact C-N 3.34Å; I2049-V2051 PolarHBondContact O-N 3.34Å; V2051-F2054 PolarHBondContact O-N 3.38Å; V2051-I2055 HydrophobicContact CG1-CD1 3.83Å; V2051-I2055 WeakPolarHBondContact O-CG1 3.35Å; V2051-I2055 PolarHBondContact O-N 3.15Å; V2051-I2055 VanDerWaalsContact O-N 3.11Å
2052V83.3Confident77.2Confident71 Ų7189.6 Ų89.643%0.4348%0.475SS..Hα-helixtrans-64.4-46.9178.9170.40000111.6I2048 I2049 F2054 I2055 F2056I2048-V2052 WeakPolarHBondContact O-CG2 3.24Å; I2048-V2052 PolarHBondContact O-N 3.15Å; I2049-V2052 PolarHBondContact O-N 2.99Å; V2052-F2054 VanDerWaalsContact C-N 3.33Å; V2052-F2054 PolarHBondContact O-N 3.49Å; V2052-I2055 PolarHBondContact O-N 2.86Å; V2052-F2056 HydrophobicContact CG1-CD2 3.92Å; V2052-F2056 HydrophobicContact CG1-CE2 4.28Å; V2052-F2056 WeakPolarHBondContact O-CD2 3.35Å; V2052-F2056 PolarHBondContact O-N 2.89Å; V2052-F2056 VanDerWaalsContact O-N 3.1Å
2053I79.8Confident76.9Confident105 Ų10587 Ų8754%0.53847%0.47SS..Hα-helixtrans-60.7-44.7176.9-69.4174.7000110.2I2049 I2055 F2056 S2057I2049-I2053 HydrophobicContact CG2-CD1 3.55Å; I2049-I2053 HydrophobicContact CG2-CG1 4.15Å; I2049-I2053 WeakPolarHBondContact O-CG1 3.42Å; I2049-I2053 PolarHBondContact O-N 3.16Å; I2053-I2055 VanDerWaalsContact C-N 3.34Å; I2053-I2055 PolarHBondContact O-N 3Å; I2053-F2056 PolarHBondContact O-N 3.05Å; I2053-S2057 WeakPolarHBondContact O-CB 3.28Å; I2053-S2057 PolarHBondContact O-N 3.4Å
2054F77Confident76.3Confident85 Ų8585.4 Ų85.437%0.37346%0.464SS..Hα-helixtrans-61.5-40.1-179.1-171.2-92.4000113G2050 V2051 V2052 P2058 V2361 I2362 V2365G2050-F2054 WeakPolarHBondContact O-CB 3.37Å; G2050-F2054 PolarHBondContact O-N 2.66Å; V2051-F2054 PolarHBondContact O-N 3.38Å; V2052-F2054 VanDerWaalsContact C-N 3.33Å; V2052-F2054 PolarHBondContact O-N 3.49Å; F2054-P2058 WeakPolarHBondContact O-CD 3.11Å; F2054-V2361 HydrophobicContact CE1-CG1 4.12Å; F2054-V2361 HydrophobicContact CE2-CG1 4.39Å; F2054-V2361 HydrophobicContact CZ-CG1 3.49Å; F2054-V2361 VanDerWaalsContact CZ-CG1 3.49Å; F2054-I2362 HydrophobicContact CE1-CG1 4.49Å; F2054-V2365 HydrophobicContact CD1-CG1 4.15Å; F2054-V2365 HydrophobicContact CE1-CB 3.67Å; F2054-V2365 HydrophobicContact CE1-CG1 3.77Å; F2054-V2365 HydrophobicContact CE1-CG2 3.81Å; F2054-V2365 HydrophobicContact CE2-CG2 4.03Å; F2054-V2365 HydrophobicContact CZ-CB 3.77Å; F2054-V2365 HydrophobicContact CZ-CG1 4.04Å; F2054-V2365 HydrophobicContact CZ-CG2 3.32Å
2055I80.2Confident75.3Confident69 Ų6986.1 Ų86.135%0.35446%0.46SS..Hα-helixtrans-70-44.3178.8-68.1166.8000111.6V2051 V2052 I2053V2051-I2055 HydrophobicContact CG1-CD1 3.83Å; V2051-I2055 WeakPolarHBondContact O-CG1 3.35Å; V2051-I2055 PolarHBondContact O-N 3.15Å; V2051-I2055 VanDerWaalsContact O-N 3.11Å; V2052-I2055 PolarHBondContact O-N 2.86Å; I2053-I2055 VanDerWaalsContact C-N 3.34Å; I2053-I2055 PolarHBondContact O-N 3Å
2056F81.7Confident74.1Confident114 Ų11484 Ų8450%0.546%0.455SS..Hα-helixtrans-89.8-20.4-173.5-72.4-69.5000115V2052 I2053 L2059 L2060V2052-F2056 HydrophobicContact CG1-CD2 3.92Å; V2052-F2056 HydrophobicContact CG1-CE2 4.28Å; V2052-F2056 WeakPolarHBondContact O-CD2 3.35Å; V2052-F2056 PolarHBondContact O-N 2.89Å; V2052-F2056 VanDerWaalsContact O-N 3.1Å; I2053-F2056 PolarHBondContact O-N 3.05Å; F2056-L2059 HydrophobicContact CD1-CD1 4.28Å; F2056-L2059 PolarHBondContact O-N 3.22Å; F2056-L2059 VanDerWaalsContact O-N 3.16Å; F2056-L2060 PolarHBondContact O-N 2.9Å
2057S73.1Confident73.3Confident61 Ų6188.7 Ų88.743%0.42747%0.47SS..Hα-helixtrans-56.5-43.5-176.9-178.20000113.7I2053 L2059 L2060 L2061I2053-S2057 WeakPolarHBondContact O-CB 3.28Å; I2053-S2057 PolarHBondContact O-N 3.4Å; S2057-L2059 PolarHBondContact O-N 3.08Å; S2057-L2060 PolarHBondContact O-N 3.38Å; S2057-L2061 VanDerWaalsContact O-CB 3.32Å; S2057-L2061 WeakPolarHBondContact O-CB 3.43Å; S2057-L2061 PolarHBondContact O-N 3.47Å
2058P68.4Low72.5Confident52 Ų5287.7 Ų87.734%0.33847%0.465SS..Hα-helixtrans-67.2-34.1178.3-22.235.3000113.4F2054 W2062 Y2358F2054-P2058 WeakPolarHBondContact O-CD 3.11Å; P2058-W2062 PolarHBondContact O-N 3.1Å; P2058-Y2358 HydrophobicContact CB-CD2 3.64Å; P2058-Y2358 HydrophobicContact CB-CE2 3.99Å; P2058-Y2358 HydrophobicContact CG-CD2 3.9Å; P2058-Y2358 HydrophobicContact CG-CE2 4.09Å
2059L71.2Confident71.6Confident78 Ų7883.8 Ų83.841%0.40845%0.452SS..Hα-helixtrans-69.1-43.7176.9-76.9161.8000111.6F2056 S2057 S2063F2056-L2059 HydrophobicContact CD1-CD1 4.28Å; F2056-L2059 PolarHBondContact O-N 3.22Å; F2056-L2059 VanDerWaalsContact O-N 3.16Å; S2057-L2059 PolarHBondContact O-N 3.08Å; L2059-S2063 WeakPolarHBondContact O-CB 3.29Å; L2059-S2063 PolarHBondContact O-N 3.35Å
2060L71.6Confident70.8Confident107 Ų10783.2 Ų83.256%0.5645%0.452SS*.Hα-helixtrans-62-44.2172.8-86.9163.4000111.6F2056 S2057 S2063 L2064F2056-L2060 PolarHBondContact O-N 2.9Å; S2057-L2060 PolarHBondContact O-N 3.38Å; L2060-S2063 PolarHBondContact O-N 3.4Å; L2060-L2064 WeakPolarHBondContact O-CG 3.48Å; L2060-L2064 PolarHBondContact O-N 3Å; L2060-L2064 VanDerWaalsContact O-N 3.08Å
2061L65.5Low70.4Confident102 Ų10283.9 Ų83.953%0.53445%0.445SS..Hα-helixtrans-60.9-46.9178.8-162.281.4000111.3S2057 S2063 L2064 L2065S2057-L2061 VanDerWaalsContact O-CB 3.32Å; S2057-L2061 WeakPolarHBondContact O-CB 3.43Å; S2057-L2061 PolarHBondContact O-N 3.47Å; L2061-S2063 PolarHBondContact O-N 3.35Å; L2061-L2064 PolarHBondContact O-N 3.29Å; L2061-L2065 HydrophobicContact CD1-CD1 4.48Å; L2061-L2065 HydrophobicContact CD2-CD1 3.98Å; L2061-L2065 HydrophobicContact CG-CD1 3.73Å; L2061-L2065 HydrophobicContact CG-CG 4.26Å; L2061-L2065 WeakPolarHBondContact O-CB 3.4Å; L2061-L2065 VanDerWaalsContact O-CG 3.25Å; L2061-L2065 WeakPolarHBondContact O-CG 3.45Å; L2061-L2065 PolarHBondContact O-N 3.32Å
2062W67.5Low69.9Low138 Ų13881.2 Ų81.252%0.52343%0.43SS..Hα-helixtrans-63.7-40.4177.4-177.947.3000112.7P2058 L2064 N2066 F2350P2058-W2062 PolarHBondContact O-N 3.1Å; W2062-L2064 VanDerWaalsContact C-N 3.3Å; W2062-L2064 PolarHBondContact O-N 3.35Å; W2062-N2066 PolarHBondContact NE1-ND2 3.28Å; W2062-N2066 PolarHBondContact NE1-OD1 3.16Å; W2062-N2066 VanDerWaalsContact O-CG 3.27Å; W2062-N2066 PolarHBondContact O-ND2 3.34Å; W2062-F2350 AromaticContact CD1-CE1 3.88Å
2063S68.3Low69.4Low80 Ų8082.6 Ų82.656%0.55943%0.433SS*.Hα-helixtrans-59.4-39.3175.9-173.40000112.8L2059 L2060 L2061L2059-S2063 WeakPolarHBondContact O-CB 3.29Å; L2059-S2063 PolarHBondContact O-N 3.35Å; L2060-S2063 PolarHBondContact O-N 3.4Å; L2061-S2063 PolarHBondContact O-N 3.35Å
2064L64.8Low69.3Low108 Ų10878 Ų7857%0.56541%0.41SS*.Hα-helixtrans-82.5-37.6-176.8-68.2167000112.6L2060 L2061 W2062 N2066L2060-L2064 WeakPolarHBondContact O-CG 3.48Å; L2060-L2064 PolarHBondContact O-N 3Å; L2060-L2064 VanDerWaalsContact O-N 3.08Å; L2061-L2064 PolarHBondContact O-N 3.29Å; W2062-L2064 VanDerWaalsContact C-N 3.3Å; W2062-L2064 PolarHBondContact O-N 3.35Å; L2064-N2066 VanDerWaalsContact C-N 3.32Å; L2064-N2066 PolarHBondContact O-N 3.01Å
2065L58.9Low69.3Low43 Ų4379.7 Ų79.723%0.22542%0.419CS..Hα-helixtrans-70.5-23.3-175.8-73.6176.2000114.2L2061 Q2067 I2068 L2346 F2350L2061-L2065 HydrophobicContact CD1-CD1 4.48Å; L2061-L2065 HydrophobicContact CD2-CD1 3.98Å; L2061-L2065 HydrophobicContact CG-CD1 3.73Å; L2061-L2065 HydrophobicContact CG-CG 4.26Å; L2061-L2065 WeakPolarHBondContact O-CB 3.4Å; L2061-L2065 VanDerWaalsContact O-CG 3.25Å; L2061-L2065 WeakPolarHBondContact O-CG 3.45Å; L2061-L2065 PolarHBondContact O-N 3.32Å; L2065-Q2067 PolarHBondContact O-N 2.92Å; L2065-Q2067 VanDerWaalsContact O-N 3.09Å; L2065-I2068 HydrophobicContact CD2-CD1 4.01Å; L2065-L2346 HydrophobicContact CD1-CD2 3.94Å; L2065-L2346 HydrophobicContact CD2-CD1 4.47Å; L2065-L2346 HydrophobicContact CD2-CD2 4.1Å; L2065-L2346 HydrophobicContact CG-CD2 4.49Å; L2065-F2350 HydrophobicContact CB-CZ 4.49Å
2066N59.1Low69.4Low84 Ų8479.2 Ų79.245%0.44941%0.414SS..THydrogen-bonded Turntrans-69-3.4-178.7-70-20.5000114.3W2062 L2064W2062-N2066 PolarHBondContact NE1-ND2 3.28Å; W2062-N2066 PolarHBondContact NE1-OD1 3.16Å; W2062-N2066 VanDerWaalsContact O-CG 3.27Å; W2062-N2066 PolarHBondContact O-ND2 3.34Å; L2064-N2066 VanDerWaalsContact C-N 3.32Å; L2064-N2066 PolarHBondContact O-N 3.01Å
2067Q62.4Low69.7Low168 Ų16873.8 Ų73.879%0.78539%0.39SS*.THydrogen-bonded Turntrans-100.11.3-175.9-62.4-171.3-39.400114.6L2065L2065-Q2067 PolarHBondContact O-N 2.92Å; L2065-Q2067 VanDerWaalsContact O-N 3.09Å
2068I63.6Low70.6Confident88 Ų8871.4 Ų71.445%0.45137%0.373SS..  trans-112.161.1-161.2-40.4177.1000112L2065L2065-I2068 HydrophobicContact CD2-CD1 4.01Å
2069G64.9Low71.6Confident26 Ų2669 Ų6927%0.26836%0.357SS..  trans-105.4133.2177.400000113.4A2341G2069-A2341 CarbonylContact C-O 3.53Å; G2069-A2341 WeakPolarHBondContact CA-O 3.29Å
2070T67.7Low72.6Confident59 Ų5969.9 Ų69.936%0.36236%0.355SS..BIsolated β-bridgetrans-97.4147.2-175.539.90000112.5E2198 R2340 A2341T2070-E2198 PolarHBondContact OG1-OE1 2.86Å; T2070-E2198 VanDerWaalsContact OG1-OE1 3.07Å; T2070-R2340 CarbonylContact O-C 3.58Å; T2070-R2340 WeakPolarHBondContact O-CA 3.3Å; T2070-R2340 WeakPolarHBondContact O-CB 3.29Å; T2070-A2341 PolarHBondContact N-O 3.33Å; T2070-A2341 PolarHBondContact O-N 3.46Å; T2070-A2341 PolarHBondContact OG1-O 2.94Å
2071I69.3Low73.4Confident53 Ų5364.8 Ų64.827%0.27233%0.329SS..  trans-91.9124.8170.8-67.6173.3000108.6M2073 E2147 D2148 R2340I2071-M2073 HydrophobicContact CG2-CG 4.03Å; I2071-E2147 HydrophobicContact CD1-CB 3.67Å; I2071-D2148 WeakPolarHBondContact CD1-OD1 3.45Å; I2071-D2148 WeakPolarHBondContact CG1-OD1 3.28Å; I2071-R2340 HydrophobicContact CG1-CG 4.01Å
2072S70.5Confident74.5Confident15 Ų1560.4 Ų60.411%0.10531%0.307CS..  trans-111.996.4169.444.70000109.8R2192S2072-R2192 PolarHBondContact O-NH1 2.85Å; S2072-R2192 PolarHBondContact OG-NH1 3.47Å
2073M71.7Confident75.3Confident99 Ų9954 Ų5449%0.48828%0.283SS..  trans-64.9143.1177.9-66.7-176.1174.100110.9I2071 M2106 P2193I2071-M2073 HydrophobicContact CG2-CG 4.03Å; M2073-M2106 HydrophobicContact CE-SD 4.02Å; M2073-P2193 WeakPolarHBondContact O-CD 3.19Å
2074P77.6Confident75.9Confident9 Ų954 Ų546%0.05827%0.274CS..  trans-69.113417329.8-34.4000110.7K2076 V2077 L2104 L2150 F2190 T2191P2074-K2076 VanDerWaalsContact C-N 3.35Å; P2074-V2077 HydrophobicContact CB-CG2 4.34Å; P2074-V2077 HydrophobicContact CG-CG2 4.34Å; P2074-L2104 HydrophobicContact CG-CD2 4.24Å; P2074-L2150 HydrophobicContact CG-CD2 3.56Å; P2074-F2190 HydrophobicContact CB-CD1 4.13Å; P2074-F2190 HydrophobicContact CG-CD1 4.07Å; P2074-T2191 CarbonylContact C-O 3.54Å; P2074-T2191 VanDerWaalsContact CA-O 3.22Å; P2074-T2191 WeakPolarHBondContact CA-O 3.42Å; P2074-T2191 WeakPolarHBondContact CB-O 3.47Å
2075E77.5Confident76.6Confident120 Ų12052.3 Ų52.356%0.56128%0.282SS*.SBendtrans-68.2-38.9177.5-177.4-177.9157.600111.1G2096 T2191E2075-G2096 PolarHBondContact O-N 2.99Å; E2075-T2191 PolarHBondContact N-O 3.09Å
2076K82.3Confident77.9Confident60 Ų6051.9 Ų51.926%0.26128%0.278SS..EExtended strand (participates in β ladder)trans-155.2160.7175.457.2169.4170.6-179.80112.3P2074 E2093 A2094 Q2095 T2191P2074-K2076 VanDerWaalsContact C-N 3.35Å; K2076-E2093 HydrophobicContact CB-CG 4.24Å; K2076-E2093 HydrophobicContact CD-CG 3.8Å; K2076-E2093 WeakPolarHBondContact CD-OE1 3.29Å; K2076-E2093 WeakPolarHBondContact CD-OE2 3.22Å; K2076-E2093 IonicContact NZ-OE1 2.73Å; K2076-E2093 PolarHBondContact NZ-OE1 3.22Å; K2076-E2093 IonicContact NZ-OE2 2.67Å; K2076-E2093 PolarHBondContact NZ-OE2 3.49Å; K2076-A2094 VanDerWaalsContact CA-O 3.31Å; K2076-A2094 WeakPolarHBondContact CA-O 3.36Å; K2076-A2094 WeakPolarHBondContact CB-O 3.5Å; K2076-Q2095 HydrophobicContact CB-CG 4.45Å; K2076-T2191 HydrophobicContact CG-CG2 4.46Å; K2076-T2191 WeakPolarHBondContact CG-OG1 3.4Å; K2076-T2191 PolarHBondContact O-N 3.42Å; K2076-T2191 PolarHBondContact O-OG1 3.39Å
2077V88.7Confident79.1Confident0 Ų049.7 Ų49.70%027%0.268CS..EExtended strand (participates in β ladder)trans-131.6121.7175.7-167.80000108.5P2074 A2094 L2104 V2152 F2154 L2188 E2189 F2190P2074-V2077 HydrophobicContact CB-CG2 4.34Å; P2074-V2077 HydrophobicContact CG-CG2 4.34Å; V2077-A2094 PolarHBondContact N-O 2.93Å; V2077-A2094 PolarHBondContact O-N 2.89Å; V2077-L2104 HydrophobicContact CG2-CD2 4.46Å; V2077-V2152 HydrophobicContact CB-CG1 4.06Å; V2077-V2152 HydrophobicContact CG1-CG1 4.31Å; V2077-V2152 HydrophobicContact CG2-CG1 4.28Å; V2077-V2152 HydrophobicContact CG2-CG2 4.16Å; V2077-F2154 HydrophobicContact CB-CE1 4.42Å; V2077-F2154 HydrophobicContact CB-CZ 4.42Å; V2077-F2154 HydrophobicContact CG1-CE1 4.26Å; V2077-F2154 HydrophobicContact CG1-CZ 3.89Å; V2077-L2188 HydrophobicContact CG1-CD1 3.71Å; V2077-L2188 HydrophobicContact CG1-CG 4.42Å; V2077-E2189 WeakPolarHBondContact CA-O 3.39Å; V2077-F2190 HydrophobicContact CB-CD1 4.35Å; V2077-F2190 HydrophobicContact CG1-CD1 3.93Å; V2077-F2190 HydrophobicContact CG1-CD2 4.09Å; V2077-F2190 HydrophobicContact CG1-CE1 3.97Å; V2077-F2190 HydrophobicContact CG1-CE2 4.16Å; V2077-F2190 HydrophobicContact CG1-CG 4Å; V2077-F2190 HydrophobicContact CG1-CZ 4.09Å; V2077-F2190 HydrophobicContact CG2-CD1 3.46Å; V2077-F2190 VanDerWaalsContact CG2-CD1 3.46Å; V2077-F2190 HydrophobicContact CG2-CE1 3.72Å; V2077-F2190 HydrophobicContact CG2-CG 4.17Å
2078T90.5Very high80.2Confident11 Ų1143.4 Ų43.47%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-107.3125.917952.30000110.5M2092 E2093 E2189T2078-M2092 WeakPolarHBondContact CA-O 3.34Å; T2078-E2093 HydrophobicContact CG2-CB 4Å; T2078-E2093 HydrophobicContact CG2-CG 3.72Å; T2078-E2093 VanDerWaalsContact CG2-OE2 3.29Å; T2078-E2093 WeakPolarHBondContact CG2-OE2 3.21Å; T2078-E2189 PolarHBondContact N-O 3.37Å; T2078-E2189 PolarHBondContact O-N 3.46Å
2079L90.8Very high81.3Confident0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-107.4130.5171.3176.963.1000109.7I2081 Y2090 E2091 M2092 F2154 V2186 L2188 I2240 L2332L2079-I2081 HydrophobicContact CG-CG1 4.42Å; L2079-Y2090 HydrophobicContact CD2-CE1 4.1Å; L2079-Y2090 HydrophobicContact CG-CE1 4.34Å; L2079-E2091 WeakPolarHBondContact O-CA 3.26Å; L2079-M2092 PolarHBondContact N-O 3.26Å; L2079-M2092 PolarHBondContact O-N 2.82Å; L2079-F2154 HydrophobicContact CB-CD1 3.8Å; L2079-F2154 HydrophobicContact CB-CD2 4.37Å; L2079-F2154 HydrophobicContact CB-CE1 3.6Å; L2079-F2154 HydrophobicContact CB-CE2 4.19Å; L2079-F2154 HydrophobicContact CB-CG 4.19Å; L2079-F2154 HydrophobicContact CB-CZ 3.81Å; L2079-F2154 HydrophobicContact CD2-CD1 4.48Å; L2079-F2154 HydrophobicContact CD2-CD2 3.79Å; L2079-F2154 HydrophobicContact CD2-CE2 4.05Å; L2079-F2154 HydrophobicContact CD2-CG 4.03Å; L2079-V2186 HydrophobicContact CD1-CG1 3.87Å; L2079-L2188 HydrophobicContact CB-CD1 4.08Å; L2079-L2188 HydrophobicContact CD1-CB 4.43Å; L2079-L2188 HydrophobicContact CD1-CD1 4.16Å; L2079-I2240 HydrophobicContact CD1-CD1 4.08Å; L2079-I2240 HydrophobicContact CD2-CD1 3.82Å; L2079-L2332 HydrophobicContact CD2-CD2 3.45Å; L2079-L2332 VanDerWaalsContact CD2-CD2 3.45Å; L2079-L2332 HydrophobicContact CD2-CG 4.34Å
2080R90.9Very high82.5Confident98 Ų9838 Ų3837%0.3721%0.208SC..EExtended strand (participates in β ladder)trans-127.1135.5178.5-77.5172.9171.7147.54.5110.2E2091 S2187R2080-E2091 HydrophobicContact CG-CB 4.46Å; R2080-E2091 HydrophobicContact CG-CG 3.93Å; R2080-E2091 IonicContact CZ-OE1 3.5Å; R2080-E2091 IonicContact NE-OE1 2.92Å; R2080-E2091 PolarHBondContact NE-OE1 3.19Å; R2080-E2091 IonicContact NE-OE2 2.64Å; R2080-E2091 IonicContact NH2-OE1 3.35Å; R2080-E2091 PolarHBondContact NH2-OE1 3.35Å; R2080-S2187 WeakPolarHBondContact CB-OG 3.49Å; R2080-S2187 PolarHBondContact N-O 3.05Å; R2080-S2187 PolarHBondContact O-N 3.14Å
2081I89.6Confident83.5Confident0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-128.7109-179.5-59.1-179.2000107.5L2079 P2088 L2089 Y2090 F2184 E2185 L2288 L2290 A2305L2079-I2081 HydrophobicContact CG-CG1 4.42Å; I2081-P2088 CarbonylContact O-C 3.5Å; I2081-P2088 WeakPolarHBondContact O-CA 3.45Å; I2081-L2089 PolarHBondContact O-N 3.13Å; I2081-Y2090 HydrophobicContact CB-CD1 4.39Å; I2081-Y2090 HydrophobicContact CD1-CD1 3.66Å; I2081-Y2090 HydrophobicContact CD1-CE1 4.24Å; I2081-Y2090 HydrophobicContact CD1-CG 4.29Å; I2081-Y2090 HydrophobicContact CG1-CD1 3.96Å; I2081-Y2090 PolarHBondContact N-O 3.29Å; I2081-Y2090 PolarHBondContact O-N 3.25Å; I2081-F2184 HydrophobicContact CG2-CE1 3.8Å; I2081-F2184 HydrophobicContact CG2-CE2 3.76Å; I2081-F2184 HydrophobicContact CG2-CZ 3.14Å; I2081-E2185 WeakPolarHBondContact CA-O 3.37Å; I2081-L2288 HydrophobicContact CD1-CD1 3.74Å; I2081-L2288 HydrophobicContact CD1-CD2 3.94Å; I2081-L2288 HydrophobicContact CG2-CD2 4.34Å; I2081-L2290 HydrophobicContact CG2-CD1 4.35Å; I2081-A2305 HydrophobicContact CD1-CB 4.37Å
2082S86.9Confident84.5Confident10 Ų1034.3 Ų34.37%0.0719%0.186CC..EExtended strand (participates in β ladder)trans-125.6165.9-173.744.80000111.9E2185S2082-E2185 PolarHBondContact N-O 2.98Å; S2082-E2185 PolarHBondContact O-N 2.72Å; S2082-E2185 WeakPolarHBondContact OG-CB 3.31Å; S2082-E2185 PolarHBondContact OG-O 2.97Å; S2082-E2185 PolarHBondContact OG-OE2 3.04Å; S2082-E2185 VanDerWaalsContact OG-OE2 3.06Å
2083I85.3Confident85.3Confident4 Ų435.6 Ų35.62%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-111.1136.4162-72173.1000106.7G2085 Y2086 L2089 M2172 V2182 F2184 I2212I2083-G2085 PolarHBondContact O-N 3.18Å; I2083-G2085 VanDerWaalsContact O-N 3.11Å; I2083-Y2086 HydrophobicContact CB-CD2 4.5Å; I2083-Y2086 HydrophobicContact CG2-CD2 4.04Å; I2083-Y2086 PolarHBondContact O-N 3.33Å; I2083-L2089 HydrophobicContact CD1-CD1 3.97Å; I2083-L2089 HydrophobicContact CG1-CD1 4.06Å; I2083-M2172 HydrophobicContact CB-CE 3.68Å; I2083-M2172 HydrophobicContact CD1-CE 3.74Å; I2083-M2172 HydrophobicContact CG1-CE 4.19Å; I2083-M2172 HydrophobicContact CG2-CE 4.01Å; I2083-V2182 HydrophobicContact CG2-CG1 3.42Å; I2083-V2182 VanDerWaalsContact CG2-CG1 3.42Å; I2083-F2184 HydrophobicContact CD1-CD2 4.46Å; I2083-F2184 HydrophobicContact CG1-CD2 3.8Å; I2083-F2184 HydrophobicContact CG1-CE2 4.44Å; I2083-I2212 HydrophobicContact CD1-CD1 4.43Å; I2083-I2212 HydrophobicContact CG1-CD1 4.5Å
2084E81.7Confident85.8Confident79 Ų7930.9 Ų30.937%0.36917%0.167SC..THydrogen-bonded Turntrans-49.7112.9-168.6-174.8-179.7-167.100113.7N2183E2084-N2183 HydrophobicContact CB-CB 4.24Å; E2084-N2183 WeakPolarHBondContact CB-O 3.44Å; E2084-N2183 PolarHBondContact N-O 2.88Å; E2084-N2183 VanDerWaalsContact OE2-CB 3.31Å; E2084-N2183 WeakPolarHBondContact OE2-CB 3.46Å; E2084-N2183 PolarHBondContact OE2-N 3.4Å; E2084-N2183 PolarHBondContact OE2-ND2 3.2Å
2085G79.3Confident85.7Confident72 Ų7235.1 Ų35.174%0.74219%0.186SC*.THydrogen-bonded Turntrans84.117.1-178.900000115.8I2083I2083-G2085 PolarHBondContact O-N 3.18Å; I2083-G2085 VanDerWaalsContact O-N 3.11Å
2086Y85.6Confident84.9Confident34 Ų3431 Ų3113%0.13318%0.176CC..SBendtrans-127.1160.1174.1-66.3-72.1000112.3I2083 S2168 A2171 M2172 K2175I2083-Y2086 HydrophobicContact CB-CD2 4.5Å; I2083-Y2086 HydrophobicContact CG2-CD2 4.04Å; I2083-Y2086 PolarHBondContact O-N 3.33Å; Y2086-S2168 WeakPolarHBondContact CE1-O 3.38Å; Y2086-A2171 PolarHBondContact OH-O 3Å; Y2086-A2171 VanDerWaalsContact OH-O 3.07Å; Y2086-M2172 HydrophobicContact CD1-CB 4.29Å; Y2086-M2172 HydrophobicContact CD2-CB 4.37Å; Y2086-M2172 HydrophobicContact CD2-CE 3.73Å; Y2086-M2172 HydrophobicContact CD2-CG 4.13Å; Y2086-M2172 HydrophobicContact CE1-CB 3.9Å; Y2086-M2172 HydrophobicContact CE2-CB 3.94Å; Y2086-M2172 HydrophobicContact CE2-CE 4.48Å; Y2086-M2172 HydrophobicContact CE2-CG 3.96Å; Y2086-M2172 HydrophobicContact CG-CE 3.78Å; Y2086-M2172 WeakPolarHBondContact OH-CA 3.49Å; Y2086-M2172 PolarHBondContact OH-N 2.89Å; Y2086-K2175 HydrophobicContact CE2-CD 3.98Å; Y2086-K2175 WeakPolarHBondContact OH-CD 3.37Å
2087P85Confident83.6Confident39 Ų3933.6 Ų33.625%0.25320%0.201SC..  trans-56.4147.4174.1-23.433.9000112.2L2089 P2163P2087-L2089 PolarHBondContact O-N 3.34Å; P2087-P2163 HydrophobicContact CB-CG 3.97Å
2088P85.9Confident81.8Confident35 Ų3538.7 Ų38.723%0.22723%0.229CC..  trans-57.6135-179.424.5-33.2000110.7I2081 E2091I2081-P2088 CarbonylContact O-C 3.5Å; I2081-P2088 WeakPolarHBondContact O-CA 3.45Å; P2088-E2091 HydrophobicContact CB-CB 4.49Å; P2088-E2091 HydrophobicContact CG-CB 4.46Å; P2088-E2091 WeakPolarHBondContact CG-OE2 3.47Å
2089L86Confident79.9Confident2 Ų247.2 Ų47.21%0.0127%0.267CS..SBendtrans-69.2-45.6173.4-57172.8000109.3I2081 I2083 P2087 W2162 M2172 F2184 L2290 W2303I2081-L2089 PolarHBondContact O-N 3.13Å; I2083-L2089 HydrophobicContact CD1-CD1 3.97Å; I2083-L2089 HydrophobicContact CG1-CD1 4.06Å; P2087-L2089 PolarHBondContact O-N 3.34Å; L2089-W2162 HydrophobicContact CD2-CZ2 3.75Å; L2089-M2172 HydrophobicContact CD2-CE 4.35Å; L2089-F2184 HydrophobicContact CD1-CE2 3.97Å; L2089-L2290 HydrophobicContact CD1-CD1 3.77Å; L2089-W2303 HydrophobicContact CB-CD2 4.36Å; L2089-W2303 HydrophobicContact CB-CG 4.04Å; L2089-W2303 HydrophobicContact CD2-CZ2 3.99Å; L2089-W2303 WeakPolarHBondContact O-CB 3.34Å
2090Y89Confident78Confident0 Ų053.9 Ų53.90%030%0.303CS..EExtended strand (participates in β ladder)trans-133.1131.3179.9167.2-79000109.2L2079 I2081 M2092 F2154 R2155 A2305 L2332L2079-Y2090 HydrophobicContact CD2-CE1 4.1Å; L2079-Y2090 HydrophobicContact CG-CE1 4.34Å; I2081-Y2090 HydrophobicContact CB-CD1 4.39Å; I2081-Y2090 HydrophobicContact CD1-CD1 3.66Å; I2081-Y2090 HydrophobicContact CD1-CE1 4.24Å; I2081-Y2090 HydrophobicContact CD1-CG 4.29Å; I2081-Y2090 HydrophobicContact CG1-CD1 3.96Å; I2081-Y2090 PolarHBondContact N-O 3.29Å; I2081-Y2090 PolarHBondContact O-N 3.25Å; Y2090-M2092 HydrophobicContact CE1-CB 3.78Å; Y2090-M2092 WeakPolarHBondContact OH-CB 3.32Å; Y2090-F2154 WeakPolarHBondContact OH-CB 3.03Å; Y2090-R2155 WeakPolarHBondContact CE2-O 3.38Å; Y2090-R2155 PolarHBondContact OH-O 3.47Å; Y2090-A2305 HydrophobicContact CD1-CB 4.37Å; Y2090-A2305 HydrophobicContact CD2-CB 3.68Å; Y2090-A2305 HydrophobicContact CE1-CB 4.47Å; Y2090-A2305 HydrophobicContact CE2-CB 3.79Å; Y2090-A2305 HydrophobicContact CG-CB 3.98Å; Y2090-L2332 HydrophobicContact CE1-CD2 4.4Å
2091E90.1Very high76.3Confident30 Ų3052.9 Ų52.914%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-136.7135.8174.5-177.8160.6-169.100108.7L2079 R2080 P2088 S2158 E2159 I2160L2079-E2091 WeakPolarHBondContact O-CA 3.26Å; R2080-E2091 HydrophobicContact CG-CB 4.46Å; R2080-E2091 HydrophobicContact CG-CG 3.93Å; R2080-E2091 IonicContact CZ-OE1 3.5Å; R2080-E2091 IonicContact NE-OE1 2.92Å; R2080-E2091 PolarHBondContact NE-OE1 3.19Å; R2080-E2091 IonicContact NE-OE2 2.64Å; R2080-E2091 IonicContact NH2-OE1 3.35Å; R2080-E2091 PolarHBondContact NH2-OE1 3.35Å; P2088-E2091 HydrophobicContact CB-CB 4.49Å; P2088-E2091 HydrophobicContact CG-CB 4.46Å; P2088-E2091 WeakPolarHBondContact CG-OE2 3.47Å; E2091-S2158 PolarHBondContact N-OG 2.91Å; E2091-S2158 PolarHBondContact O-OG 3.28Å; E2091-E2159 WeakPolarHBondContact O-CB 3.38Å; E2091-E2159 PolarHBondContact O-N 3.07Å; E2091-I2160 HydrophobicContact CB-CD1 4.46Å; E2091-I2160 HydrophobicContact CG-CD1 4.21Å
2092M89.1Confident74.9Confident4 Ų455.9 Ų55.92%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-151126.5-176.4-179.158.548.700110.8T2078 L2079 Y2090 F2154 R2155 E2157 E2159T2078-M2092 WeakPolarHBondContact CA-O 3.34Å; L2079-M2092 PolarHBondContact N-O 3.26Å; L2079-M2092 PolarHBondContact O-N 2.82Å; Y2090-M2092 HydrophobicContact CE1-CB 3.78Å; Y2090-M2092 WeakPolarHBondContact OH-CB 3.32Å; M2092-F2154 HydrophobicContact CB-CB 4.41Å; M2092-F2154 HydrophobicContact CB-CD1 4.32Å; M2092-F2154 HydrophobicContact CG-CB 3.82Å; M2092-F2154 HydrophobicContact CG-CD1 3.96Å; M2092-F2154 HydrophobicContact CG-CG 4.4Å; M2092-R2155 HydrophobicContact CE-CB 3.79Å; M2092-R2155 HydrophobicContact CE-CG 4.39Å; M2092-R2155 HydrophobicContact SD-CB 3.96Å; M2092-R2155 HydrophobicContact SD-CG 4Å; M2092-E2157 WeakPolarHBondContact CE-O 3.17Å; M2092-E2159 HydrophobicContact CE-CB 3.74Å; M2092-E2159 HydrophobicContact SD-CB 4.35Å
2093E87.3Confident74.2Confident41 Ų4156.3 Ų56.319%0.19233%0.33CS..EExtended strand (participates in β ladder)trans-102.1116.4171.6-171165.1121.300111K2076 T2078 Q2095 E2159K2076-E2093 HydrophobicContact CB-CG 4.24Å; K2076-E2093 HydrophobicContact CD-CG 3.8Å; K2076-E2093 WeakPolarHBondContact CD-OE1 3.29Å; K2076-E2093 WeakPolarHBondContact CD-OE2 3.22Å; K2076-E2093 IonicContact NZ-OE1 2.73Å; K2076-E2093 PolarHBondContact NZ-OE1 3.22Å; K2076-E2093 IonicContact NZ-OE2 2.67Å; K2076-E2093 PolarHBondContact NZ-OE2 3.49Å; T2078-E2093 HydrophobicContact CG2-CB 4Å; T2078-E2093 HydrophobicContact CG2-CG 3.72Å; T2078-E2093 VanDerWaalsContact CG2-OE2 3.29Å; T2078-E2093 WeakPolarHBondContact CG2-OE2 3.21Å; E2093-Q2095 HydrophobicContact CG-CG 3.95Å; E2093-Q2095 PolarHBondContact OE1-NE2 2.99Å; E2093-E2159 PolarHBondContact N-OE2 3.07Å
2094A83.7Confident73.8Confident1 Ų157.5 Ų57.51%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-90.3122.817100000109.5K2076 V2077 E2103 L2104 V2152 F2154K2076-A2094 VanDerWaalsContact CA-O 3.31Å; K2076-A2094 WeakPolarHBondContact CA-O 3.36Å; K2076-A2094 WeakPolarHBondContact CB-O 3.5Å; V2077-A2094 PolarHBondContact N-O 2.93Å; V2077-A2094 PolarHBondContact O-N 2.89Å; A2094-E2103 HydrophobicContact CB-CB 4.39Å; A2094-L2104 HydrophobicContact CB-CD1 3.69Å; A2094-L2104 WeakPolarHBondContact O-CD1 3.46Å; A2094-V2152 HydrophobicContact CB-CG1 3.95Å; A2094-F2154 HydrophobicContact CB-CD1 4.1Å; A2094-F2154 HydrophobicContact CB-CE1 4.05Å
2095Q75.4Confident73.4Confident97 Ų9754.7 Ų54.745%0.45333%0.328SS..EExtended strand (participates in β ladder)trans-117.9138.6-172.8-64.3-175.5-11.500112.7K2076 E2093K2076-Q2095 HydrophobicContact CB-CG 4.45Å; E2093-Q2095 HydrophobicContact CG-CG 3.95Å; E2093-Q2095 PolarHBondContact OE1-NE2 2.99Å
2096G60.9Low73.4Confident34 Ų3455.9 Ų55.935%0.35132%0.316SS..  trans-137.668-171.800000115.3E2075E2075-G2096 PolarHBondContact O-N 2.99Å
2097S53.6Low73.3Confident114 Ų11454.5 Ų54.580%0.79731%0.311SS*.SBendtrans-102.1-17.5175.3-173.60000115.2
2098N52.5Low73.2Confident108 Ų10859 Ų5958%0.57833%0.326SS*.SBendtrans-128.6145.5-176.2-76.9-19.8000111D2100 N2101N2098-D2100 PolarHBondContact O-N 3.43Å; N2098-N2101 PolarHBondContact O-N 3.05Å
2099H50.6Low73.1Confident190 Ų19061.3 Ų61.388%0.8834%0.341SS*.THydrogen-bonded Turntrans-64-13.1-176-164.4-65.6000114
2100D50Low72.8Confident140 Ų14067 Ų6775%0.74937%0.372SS*.THydrogen-bonded Turntrans-92.2-15.3-178.6-51.8-51.7000113.4N2098 A2102N2098-D2100 PolarHBondContact O-N 3.43Å; D2100-A2102 PolarHBondContact O-N 3.19Å
2101N54.9Low72.4Confident77 Ų7769.4 Ų69.441%0.41238%0.383SS..  trans-84100.2-176-73.514.9000111.1N2098 E2103N2098-N2101 PolarHBondContact O-N 3.05Å; N2101-E2103 PolarHBondContact O-N 3.03Å
2102A61.2Low72.1Confident62 Ų6269.3 Ų69.351%0.51238%0.384SS..THydrogen-bonded Turntrans-69.712.7-173.300000116.7D2100 R2153D2100-A2102 PolarHBondContact O-N 3.19Å; A2102-R2153 PolarHBondContact O-NH1 2.87Å
2103E71.3Confident71.8Confident20 Ų2071.8 Ų71.89%0.09340%0.404CS..THydrogen-bonded Turntrans-86.3-36.1-175.3-63.9-178.1165.600113A2094 N2101 R2153 R2155A2094-E2103 HydrophobicContact CB-CB 4.39Å; N2101-E2103 PolarHBondContact O-N 3.03Å; E2103-R2153 PolarHBondContact O-N 2.94Å; E2103-R2155 IonicContact OE1-CZ 3.03Å; E2103-R2155 IonicContact OE1-NE 3.68Å; E2103-R2155 PolarHBondContact OE1-NE 2.94Å; E2103-R2155 IonicContact OE1-NH2 2.69Å; E2103-R2155 PolarHBondContact OE1-NH2 3.38Å; E2103-R2155 IonicContact OE2-NH2 2.83Å
2104L76.4Confident71.5Confident29 Ų2972.7 Ų72.715%0.15242%0.415CS..EExtended strand (participates in β ladder)trans-112.8109.9167.5-87.575.5000108.3P2074 V2077 A2094 L2150P2074-L2104 HydrophobicContact CG-CD2 4.24Å; V2077-L2104 HydrophobicContact CG2-CD2 4.46Å; A2094-L2104 HydrophobicContact CB-CD1 3.69Å; A2094-L2104 WeakPolarHBondContact O-CD1 3.46Å; L2104-L2150 HydrophobicContact CB-CD1 4.18Å; L2104-L2150 HydrophobicContact CD2-CD2 4.09Å; L2104-L2150 HydrophobicContact CG-CD1 4.46Å; L2104-L2150 HydrophobicContact CG-CD2 4.27Å
2105G74Confident71.5Confident19 Ų1972.8 Ų72.820%0.19642%0.415CS..EExtended strand (participates in β ladder)trans-131135.1-179.700000113I2151G2105-I2151 PolarHBondContact N-O 3.08Å; G2105-I2151 WeakPolarHBondContact O-CA 3.48Å; G2105-I2151 WeakPolarHBondContact O-CB 3.46Å; G2105-I2151 PolarHBondContact O-N 2.66Å
2106M79.8Confident72Confident98 Ų9870.6 Ų70.648%0.48341%0.407SS..EExtended strand (participates in β ladder)trans-64150.4172.1-67.1172.3-78.700111.4M2073M2073-M2106 HydrophobicContact CE-SD 4.02Å
2107I82.6Confident73.1Confident4 Ų473.9 Ų73.92%0.02141%0.413CS..PPolyproline II helixtrans-65.8135.4174.9-164.9167.3000110.8Q2111 L2112 I2149 I2151 I2319I2107-Q2111 HydrophobicContact CD1-CB 4.27Å; I2107-Q2111 HydrophobicContact CG1-CB 3.78Å; I2107-L2112 HydrophobicContact CD1-CB 4.09Å; I2107-L2112 HydrophobicContact CD1-CD1 4.44Å; I2107-L2112 HydrophobicContact CG1-CB 4.33Å; I2107-L2112 HydrophobicContact CG2-CB 4.24Å; I2107-I2149 HydrophobicContact CB-CB 4.32Å; I2107-I2149 HydrophobicContact CB-CG2 3.94Å; I2107-I2149 HydrophobicContact CD1-CG2 4.13Å; I2107-I2149 HydrophobicContact CG2-CB 3.65Å; I2107-I2149 HydrophobicContact CG2-CD1 4.39Å; I2107-I2149 HydrophobicContact CG2-CG2 3.76Å; I2107-I2149 PolarHBondContact N-O 2.94Å; I2107-I2151 HydrophobicContact CB-CD1 4.36Å; I2107-I2151 HydrophobicContact CG1-CD1 4.3Å; I2107-I2319 HydrophobicContact CD1-CD1 3.77Å
2108K82.1Confident74.2Confident134 Ų13469 Ų6958%0.58338%0.38SS*.PPolyproline II helixtrans-70.8147.1173.4-66.6-172174.3-171.60110.7D2110 Q2111 L2112K2108-D2110 PolarHBondContact O-N 3.37Å; K2108-Q2111 HydrophobicContact CB-CB 4.36Å; K2108-Q2111 HydrophobicContact CB-CG 4.13Å; K2108-Q2111 WeakPolarHBondContact O-CB 3.36Å; K2108-Q2111 PolarHBondContact O-N 2.98Å; K2108-L2112 PolarHBondContact O-N 3.31Å
2109P83.7Confident75.6Confident83 Ų8363.9 Ų63.954%0.53935%0.353SS..Hα-helixtrans-56.6-36.5177.922.5-33.5000112.4L2112 A2113P2109-L2112 PolarHBondContact O-N 2.88Å; P2109-A2113 VanDerWaalsContact O-CB 3.3Å; P2109-A2113 WeakPolarHBondContact O-CB 3.42Å; P2109-A2113 PolarHBondContact O-N 3.01Å
2110D80.5Confident77Confident123 Ų12357.7 Ų57.766%0.65833%0.328SS*.Hα-helixtrans-66-38.2176.7-41.9-46.9000112.2K2108 A2113 S2114K2108-D2110 PolarHBondContact O-N 3.37Å; D2110-A2113 PolarHBondContact O-N 2.83Å; D2110-S2114 WeakPolarHBondContact O-CB 3.36Å; D2110-S2114 PolarHBondContact O-N 2.92Å
2111Q80.2Confident78.2Confident49 Ų4955.8 Ų55.823%0.22932%0.318CS..Hα-helixtrans-68.9-45176.8-69.7175.9-52.300110.3I2107 K2108 A2113 S2114 L2115I2107-Q2111 HydrophobicContact CD1-CB 4.27Å; I2107-Q2111 HydrophobicContact CG1-CB 3.78Å; K2108-Q2111 HydrophobicContact CB-CB 4.36Å; K2108-Q2111 HydrophobicContact CB-CG 4.13Å; K2108-Q2111 WeakPolarHBondContact O-CB 3.36Å; K2108-Q2111 PolarHBondContact O-N 2.98Å; Q2111-A2113 VanDerWaalsContact C-N 3.33Å; Q2111-A2113 PolarHBondContact O-N 3.49Å; Q2111-S2114 PolarHBondContact O-N 3.11Å; Q2111-S2114 PolarHBondContact O-OG 2.83Å; Q2111-L2115 WeakPolarHBondContact O-CB 3.48Å; Q2111-L2115 PolarHBondContact O-N 2.99Å
2112L84.1Confident78.8Confident29 Ų2952.9 Ų52.915%0.15230%0.304CS..Hα-helixtrans-61.1-40.7174.2-178.558.4000111.9I2107 K2108 P2109 L2115 N2116 L2141 I2149I2107-L2112 HydrophobicContact CD1-CB 4.09Å; I2107-L2112 HydrophobicContact CD1-CD1 4.44Å; I2107-L2112 HydrophobicContact CG1-CB 4.33Å; I2107-L2112 HydrophobicContact CG2-CB 4.24Å; K2108-L2112 PolarHBondContact O-N 3.31Å; P2109-L2112 PolarHBondContact O-N 2.88Å; L2112-L2115 PolarHBondContact O-N 3.33Å; L2112-N2116 WeakPolarHBondContact O-CB 3.35Å; L2112-N2116 PolarHBondContact O-N 3.32Å; L2112-L2141 HydrophobicContact CD1-CD1 3.66Å; L2112-L2141 HydrophobicContact CD1-CD2 4.11Å; L2112-L2141 HydrophobicContact CD1-CG 3.96Å; L2112-I2149 HydrophobicContact CD1-CD1 3.75Å; L2112-I2149 HydrophobicContact CD2-CD1 4.45Å
2113A83.1Confident79.5Confident55 Ų5555 Ų5546%0.45530%0.299SS..Hα-helixtrans-62.9-42.2173.500000111.8P2109 D2110 Q2111 N2116 Q2117P2109-A2113 VanDerWaalsContact O-CB 3.3Å; P2109-A2113 WeakPolarHBondContact O-CB 3.42Å; P2109-A2113 PolarHBondContact O-N 3.01Å; D2110-A2113 PolarHBondContact O-N 2.83Å; Q2111-A2113 VanDerWaalsContact C-N 3.33Å; Q2111-A2113 PolarHBondContact O-N 3.49Å; A2113-N2116 PolarHBondContact O-N 3.34Å; A2113-Q2117 WeakPolarHBondContact O-CB 3.34Å; A2113-Q2117 PolarHBondContact O-N 3.19Å
2114S81Confident79.5Confident60 Ų6056.3 Ų56.342%0.4231%0.309SS..Hα-helixtrans-66.2-3917777.30000113.2D2110 Q2111 Q2117 A2118D2110-S2114 WeakPolarHBondContact O-CB 3.36Å; D2110-S2114 PolarHBondContact O-N 2.92Å; Q2111-S2114 PolarHBondContact O-N 3.11Å; Q2111-S2114 PolarHBondContact O-OG 2.83Å; S2114-Q2117 PolarHBondContact O-N 3.36Å; S2114-A2118 WeakPolarHBondContact O-CB 3.33Å; S2114-A2118 PolarHBondContact O-N 2.96Å
2115L82.8Confident79.1Confident3 Ų360.4 Ų60.42%0.01634%0.335CS..Hα-helixtrans-68.4-43.6175.6178.262.8000111.4Q2111 L2112 Q2117 A2118 L2119 L2141 F2243Q2111-L2115 WeakPolarHBondContact O-CB 3.48Å; Q2111-L2115 PolarHBondContact O-N 2.99Å; L2112-L2115 PolarHBondContact O-N 3.33Å; L2115-Q2117 VanDerWaalsContact C-N 3.33Å; L2115-Q2117 PolarHBondContact O-N 3.37Å; L2115-A2118 PolarHBondContact O-N 2.8Å; L2115-L2119 HydrophobicContact CD1-CD1 4.2Å; L2115-L2119 HydrophobicContact CD1-CG 4.47Å; L2115-L2119 HydrophobicContact CG-CD1 4.26Å; L2115-L2119 WeakPolarHBondContact O-CB 3.38Å; L2115-L2119 WeakPolarHBondContact O-CG 3.42Å; L2115-L2119 PolarHBondContact O-N 2.83Å; L2115-L2141 HydrophobicContact CD2-CD1 4.17Å; L2115-L2141 HydrophobicContact CG-CD2 4.33Å; L2115-F2243 HydrophobicContact CD1-CZ 4.26Å; L2115-F2243 HydrophobicContact CD2-CE1 4.36Å
2116N86.1Confident78.9Confident51 Ų5171 Ų7127%0.27337%0.369SS..Hα-helixtrans-61.7-40.7173.9-179.144.2000111.5L2112 A2113 T2120 L2141L2112-N2116 WeakPolarHBondContact O-CB 3.35Å; L2112-N2116 PolarHBondContact O-N 3.32Å; A2113-N2116 PolarHBondContact O-N 3.34Å; N2116-T2120 VanDerWaalsContact O-CB 3.28Å; N2116-T2120 WeakPolarHBondContact O-CB 3.5Å; N2116-T2120 PolarHBondContact O-N 2.9Å; N2116-T2120 PolarHBondContact O-OG1 3.4Å; N2116-L2141 HydrophobicContact CB-CD2 3.63Å
2117Q83.6Confident78.6Confident103 Ų10368.3 Ų68.348%0.48136%0.357SS..Hα-helixtrans-64-48.7172.5-179.7173.92.700111.1A2113 S2114 L2115 L2119 T2120 D2121A2113-Q2117 WeakPolarHBondContact O-CB 3.34Å; A2113-Q2117 PolarHBondContact O-N 3.19Å; S2114-Q2117 PolarHBondContact O-N 3.36Å; L2115-Q2117 VanDerWaalsContact C-N 3.33Å; L2115-Q2117 PolarHBondContact O-N 3.37Å; Q2117-L2119 VanDerWaalsContact C-N 3.31Å; Q2117-L2119 PolarHBondContact O-N 3.27Å; Q2117-T2120 CarbonylContact O-C 3.37Å; Q2117-T2120 WeakPolarHBondContact O-CA 3.45Å; Q2117-T2120 WeakPolarHBondContact O-CB 3.37Å; Q2117-T2120 PolarHBondContact O-N 3.05Å; Q2117-D2121 WeakPolarHBondContact CG-OD2 3.43Å; Q2117-D2121 PolarHBondContact NE2-OD2 3.45Å; Q2117-D2121 WeakPolarHBondContact O-CB 3.3Å; Q2117-D2121 PolarHBondContact O-N 3.47Å
2118A78.3Confident78.4Confident13 Ų1373.2 Ų73.211%0.10739%0.387CS..Hα-helixtrans-57.1-43.8179.600000112.3S2114 L2115 T2120 D2121 S2122 K2316 L2317S2114-A2118 WeakPolarHBondContact O-CB 3.33Å; S2114-A2118 PolarHBondContact O-N 2.96Å; L2115-A2118 PolarHBondContact O-N 2.8Å; A2118-T2120 VanDerWaalsContact C-N 3.33Å; A2118-T2120 PolarHBondContact O-N 3.11Å; A2118-D2121 PolarHBondContact O-N 2.71Å; A2118-S2122 VanDerWaalsContact O-CB 3.24Å; A2118-S2122 WeakPolarHBondContact O-CB 3.34Å; A2118-S2122 PolarHBondContact O-N 2.86Å; A2118-S2122 PolarHBondContact O-OG 3.05Å; A2118-K2316 HydrophobicContact CB-CB 4.3Å; A2118-K2316 WeakPolarHBondContact CB-O 3.39Å; A2118-L2317 HydrophobicContact CB-CD1 4.44Å
2119L80.2Confident78.1Confident0 Ų071.2 Ų71.20%038%0.383CS..Hα-helixtrans-72-22175.3-72.3172.3000114L2115 Q2117 S2122 S2134 V2138 L2141 I2258 T2261 L2317L2115-L2119 HydrophobicContact CD1-CD1 4.2Å; L2115-L2119 HydrophobicContact CD1-CG 4.47Å; L2115-L2119 HydrophobicContact CG-CD1 4.26Å; L2115-L2119 WeakPolarHBondContact O-CB 3.38Å; L2115-L2119 WeakPolarHBondContact O-CG 3.42Å; L2115-L2119 PolarHBondContact O-N 2.83Å; Q2117-L2119 VanDerWaalsContact C-N 3.31Å; Q2117-L2119 PolarHBondContact O-N 3.27Å; L2119-S2122 WeakPolarHBondContact CA-OG 3.25Å; L2119-S2122 PolarHBondContact O-OG 3.33Å; L2119-S2134 WeakPolarHBondContact O-CB 3.38Å; L2119-S2134 PolarHBondContact O-OG 3.29Å; L2119-V2138 HydrophobicContact CB-CG2 4.17Å; L2119-L2141 HydrophobicContact CD1-CD2 4.28Å; L2119-I2258 HydrophobicContact CD1-CG1 4.49Å; L2119-T2261 HydrophobicContact CD2-CG2 4.28Å; L2119-L2317 HydrophobicContact CD2-CD1 3.97Å; L2119-L2317 HydrophobicContact CG-CD1 4.46Å
2120T81.5Confident77.8Confident59 Ų5967.2 Ų67.236%0.36236%0.357SS..Hα-helixtrans-80.9-32.7172.3-60.20000111.7N2116 Q2117 A2118 Y2123 V2138N2116-T2120 VanDerWaalsContact O-CB 3.28Å; N2116-T2120 WeakPolarHBondContact O-CB 3.5Å; N2116-T2120 PolarHBondContact O-N 2.9Å; N2116-T2120 PolarHBondContact O-OG1 3.4Å; Q2117-T2120 CarbonylContact O-C 3.37Å; Q2117-T2120 WeakPolarHBondContact O-CA 3.45Å; Q2117-T2120 WeakPolarHBondContact O-CB 3.37Å; Q2117-T2120 PolarHBondContact O-N 3.05Å; A2118-T2120 VanDerWaalsContact C-N 3.33Å; A2118-T2120 PolarHBondContact O-N 3.11Å; T2120-Y2123 WeakPolarHBondContact O-CD1 3.29Å; T2120-Y2123 VanDerWaalsContact O-CE1 3.25Å; T2120-Y2123 WeakPolarHBondContact O-CE1 3.32Å; T2120-V2138 WeakPolarHBondContact OG1-CG2 3.25Å
2121D75.6Confident77.9Confident100 Ų10063.7 Ų63.754%0.53534%0.337SS..Hα-helixtrans-84.3-23178.7-68.9-17.8000111.9Q2117 A2118 Y2123Q2117-D2121 WeakPolarHBondContact CG-OD2 3.43Å; Q2117-D2121 PolarHBondContact NE2-OD2 3.45Å; Q2117-D2121 WeakPolarHBondContact O-CB 3.3Å; Q2117-D2121 PolarHBondContact O-N 3.47Å; A2118-D2121 PolarHBondContact O-N 2.71Å; D2121-Y2123 VanDerWaalsContact C-N 3.3Å; D2121-Y2123 PolarHBondContact O-N 2.89Å
2122S67.6Low78Confident17 Ų1766 Ų6612%0.11935%0.351CS..  trans-80.260.7-179.271.70000113.9A2118 L2119 T2261 D2265A2118-S2122 VanDerWaalsContact O-CB 3.24Å; A2118-S2122 WeakPolarHBondContact O-CB 3.34Å; A2118-S2122 PolarHBondContact O-N 2.86Å; A2118-S2122 PolarHBondContact O-OG 3.05Å; L2119-S2122 WeakPolarHBondContact CA-OG 3.25Å; L2119-S2122 PolarHBondContact O-OG 3.33Å; S2122-T2261 WeakPolarHBondContact OG-CG2 3.16Å; S2122-D2265 WeakPolarHBondContact O-CB 3.36Å
2123Y75.3Confident77.9Confident106 Ų10666.6 Ų66.642%0.41635%0.351SS..  trans-134.7149.3166.371.3-87.2000112.3T2120 D2121 T2125 I2131T2120-Y2123 WeakPolarHBondContact O-CD1 3.29Å; T2120-Y2123 VanDerWaalsContact O-CE1 3.25Å; T2120-Y2123 WeakPolarHBondContact O-CE1 3.32Å; D2121-Y2123 VanDerWaalsContact C-N 3.3Å; D2121-Y2123 PolarHBondContact O-N 2.89Å; Y2123-T2125 HydrophobicContact CD2-CG2 4.46Å; Y2123-T2125 HydrophobicContact CE2-CG2 3.82Å; Y2123-I2131 HydrophobicContact CD2-CD1 4.35Å; Y2123-I2131 HydrophobicContact CD2-CG1 3.52Å; Y2123-I2131 HydrophobicContact CE2-CG1 4.08Å; Y2123-I2131 HydrophobicContact CG-CG1 4.23Å
2124T71.1Confident77.9Confident47 Ų4764.3 Ų64.329%0.28833%0.332SS..  trans-86.5112.6174.8-590000109.1R2126 D2127 S2130 R2269T2124-R2126 HydrophobicContact CG2-CB 4.39Å; T2124-R2126 PolarHBondContact O-N 3.31Å; T2124-D2127 HydrophobicContact CG2-CB 4.35Å; T2124-D2127 PolarHBondContact O-N 2.86Å; T2124-S2130 WeakPolarHBondContact CA-OG 3.37Å; T2124-S2130 WeakPolarHBondContact CB-OG 3.47Å; T2124-S2130 PolarHBondContact N-OG 3.25Å; T2124-S2130 PolarHBondContact O-OG 3.12Å; T2124-R2269 PolarHBondContact OG1-NH2 2.95Å
2125T66.9Low78Confident115 Ų11570 Ų7071%0.70634%0.344SS*.THydrogen-bonded Turntrans-55.8-12.8-177.754.70000115.8Y2123Y2123-T2125 HydrophobicContact CD2-CG2 4.46Å; Y2123-T2125 HydrophobicContact CE2-CG2 3.82Å
2126R71.3Confident78.1Confident242 Ų24273.9 Ų73.991%0.91336%0.363SS*.THydrogen-bonded Turntrans-99.1-17.1174.6-74-178.1170.3172.2-3.2115.6T2124T2124-R2126 HydrophobicContact CG2-CB 4.39Å; T2124-R2126 PolarHBondContact O-N 3.31Å
2127D72.8Confident78Confident42 Ų4271.4 Ų71.423%0.22535%0.35CS..  trans-106.4113-177.517625000110.6T2124 N2129 S2130 I2131 R2133T2124-D2127 HydrophobicContact CG2-CB 4.35Å; T2124-D2127 PolarHBondContact O-N 2.86Å; D2127-N2129 PolarHBondContact O-N 2.94Å; D2127-N2129 VanDerWaalsContact OD1-CB 3.31Å; D2127-N2129 WeakPolarHBondContact OD1-CB 3.09Å; D2127-N2129 PolarHBondContact OD1-N 3.13Å; D2127-N2129 PolarHBondContact OD1-ND2 2.91Å; D2127-S2130 PolarHBondContact O-N 3.09Å; D2127-S2130 VanDerWaalsContact O-N 3.13Å; D2127-S2130 PolarHBondContact O-OG 2.92Å; D2127-S2130 PolarHBondContact OD2-N 3.26Å; D2127-I2131 PolarHBondContact O-N 3.47Å; D2127-R2133 IonicContact OD2-CZ 3.36Å; D2127-R2133 IonicContact OD2-NH1 2.93Å; D2127-R2133 IonicContact OD2-NH2 2.94Å; D2127-R2133 PolarHBondContact OD2-NH2 2.99Å
2128T78.8Confident78.1Confident107 Ų10767.4 Ų67.466%0.65633%0.333SS*.Hα-helixtrans-61-29.2175.647.40000112.5I2131 L2132T2128-I2131 PolarHBondContact O-N 3.29Å; T2128-L2132 WeakPolarHBondContact O-CB 3.31Å; T2128-L2132 PolarHBondContact O-N 2.97Å
2129N76.5Confident78.4Confident91 Ų9170.7 Ų70.749%0.48736%0.355SS..Hα-helixtrans-70.9-37.2176.4-51.8-76.3000110.9D2127 L2132 R2133D2127-N2129 PolarHBondContact O-N 2.94Å; D2127-N2129 VanDerWaalsContact OD1-CB 3.31Å; D2127-N2129 WeakPolarHBondContact OD1-CB 3.09Å; D2127-N2129 PolarHBondContact OD1-N 3.13Å; D2127-N2129 PolarHBondContact OD1-ND2 2.91Å; N2129-L2132 CarbonylContact O-C 3.19Å; N2129-L2132 WeakPolarHBondContact O-CB 3.33Å; N2129-L2132 PolarHBondContact O-N 3.17Å; N2129-R2133 WeakPolarHBondContact O-CG 3.31Å; N2129-R2133 PolarHBondContact O-N 3.35Å
2130S77.4Confident78.7Confident0 Ų073 Ų730%036%0.364CS..Hα-helixtrans-63.9-40.9173.576.40000113.1T2124 D2127 L2132 R2133 S2134 D2265T2124-S2130 WeakPolarHBondContact CA-OG 3.37Å; T2124-S2130 WeakPolarHBondContact CB-OG 3.47Å; T2124-S2130 PolarHBondContact N-OG 3.25Å; T2124-S2130 PolarHBondContact O-OG 3.12Å; D2127-S2130 PolarHBondContact O-N 3.09Å; D2127-S2130 VanDerWaalsContact O-N 3.13Å; D2127-S2130 PolarHBondContact O-OG 2.92Å; D2127-S2130 PolarHBondContact OD2-N 3.26Å; S2130-L2132 PolarHBondContact O-N 3.07Å; S2130-R2133 VanDerWaalsContact CA-NH2 3.35Å; S2130-R2133 PolarHBondContact O-N 3.06Å; S2130-S2134 WeakPolarHBondContact O-CB 3.35Å; S2130-S2134 PolarHBondContact O-N 2.75Å; S2130-D2265 WeakPolarHBondContact CA-OD2 3.3Å; S2130-D2265 WeakPolarHBondContact CB-OD1 3.18Å; S2130-D2265 WeakPolarHBondContact CB-OD2 3.33Å
2131I80.8Confident78.9Confident48 Ų4870.4 Ų70.425%0.24635%0.348CS..Hα-helixtrans-63-36.8174.3-64.9167.5000109.7Y2123 D2127 T2128 R2135Y2123-I2131 HydrophobicContact CD2-CD1 4.35Å; Y2123-I2131 HydrophobicContact CD2-CG1 3.52Å; Y2123-I2131 HydrophobicContact CE2-CG1 4.08Å; Y2123-I2131 HydrophobicContact CG-CG1 4.23Å; D2127-I2131 PolarHBondContact O-N 3.47Å; T2128-I2131 PolarHBondContact O-N 3.29Å; I2131-R2135 VanDerWaalsContact O-CB 3.23Å; I2131-R2135 WeakPolarHBondContact O-CB 3.31Å; I2131-R2135 WeakPolarHBondContact O-CD 3.36Å; I2131-R2135 WeakPolarHBondContact O-CG 3.33Å; I2131-R2135 PolarHBondContact O-N 3.1Å
2132L82.9Confident79.4Confident99 Ų9973.1 Ų73.152%0.51836%0.355SS..Hα-helixtrans-70.8-42.4175.1-168119.9000112.1T2128 N2129 S2130 R2135 M2136T2128-L2132 WeakPolarHBondContact O-CB 3.31Å; T2128-L2132 PolarHBondContact O-N 2.97Å; N2129-L2132 CarbonylContact O-C 3.19Å; N2129-L2132 WeakPolarHBondContact O-CB 3.33Å; N2129-L2132 PolarHBondContact O-N 3.17Å; S2130-L2132 PolarHBondContact O-N 3.07Å; L2132-R2135 PolarHBondContact O-N 3.47Å; L2132-M2136 HydrophobicContact CD2-CE 3.76Å; L2132-M2136 HydrophobicContact CD2-SD 3.98Å; L2132-M2136 WeakPolarHBondContact O-CB 3.25Å; L2132-M2136 VanDerWaalsContact O-CG 3.29Å; L2132-M2136 WeakPolarHBondContact O-CG 3.41Å; L2132-M2136 PolarHBondContact O-N 2.72Å
2133R82.6Confident80Confident40 Ų4075.1 Ų75.115%0.15138%0.379CS..Hα-helixtrans-61-53.8175.7-74.1-176.4-60.4-105.3-2.1111.5D2127 N2129 S2130 R2135 M2136 S2137 T2261 D2265D2127-R2133 IonicContact OD2-CZ 3.36Å; D2127-R2133 IonicContact OD2-NH1 2.93Å; D2127-R2133 IonicContact OD2-NH2 2.94Å; D2127-R2133 PolarHBondContact OD2-NH2 2.99Å; N2129-R2133 WeakPolarHBondContact O-CG 3.31Å; N2129-R2133 PolarHBondContact O-N 3.35Å; S2130-R2133 VanDerWaalsContact CA-NH2 3.35Å; S2130-R2133 PolarHBondContact O-N 3.06Å; R2133-R2135 PolarHBondContact O-N 3.03Å; R2133-M2136 HydrophobicContact CG-CE 4.32Å; R2133-M2136 PolarHBondContact O-N 2.73Å; R2133-M2136 VanDerWaalsContact O-N 3.12Å; R2133-S2137 PolarHBondContact O-N 3.01Å; R2133-S2137 PolarHBondContact O-OG 3.38Å; R2133-T2261 PolarHBondContact O-OG1 3.17Å; R2133-D2265 IonicContact CZ-OD1 2.59Å; R2133-D2265 IonicContact CZ-OD2 3.38Å; R2133-D2265 IonicContact NE-OD1 3.86Å; R2133-D2265 IonicContact NE-OD2 2.72Å; R2133-D2265 PolarHBondContact NE-OD2 2.97Å; R2133-D2265 IonicContact NH2-OD1 2.87Å; R2133-D2265 PolarHBondContact NH2-OD1 2.71Å; R2133-D2265 IonicContact NH2-OD2 3.1Å; R2133-D2265 PolarHBondContact NH2-OD2 2.77Å; R2133-D2265 VanDerWaalsContact NH2-OD2 3.15Å
2134S82.1Confident80.4Confident8 Ų871.7 Ų71.76%0.05637%0.365CS..Hα-helixtrans-55-46.4173.2165.80000112.1L2119 S2130 M2136 S2137 V2138L2119-S2134 WeakPolarHBondContact O-CB 3.38Å; L2119-S2134 PolarHBondContact O-OG 3.29Å; S2130-S2134 WeakPolarHBondContact O-CB 3.35Å; S2130-S2134 PolarHBondContact O-N 2.75Å; S2134-M2136 PolarHBondContact O-N 3.47Å; S2134-S2137 PolarHBondContact O-N 2.73Å; S2134-V2138 WeakPolarHBondContact O-CG2 3.13Å; S2134-V2138 PolarHBondContact O-N 3.03Å
2135R84.5Confident80.9Confident178 Ų17872 Ų7267%0.67237%0.367SS*.Hα-helixtrans-62.7-38.6175.9-77.4172.8-179-172.41.2113.4I2131 L2132 R2133 S2139I2131-R2135 VanDerWaalsContact O-CB 3.23Å; I2131-R2135 WeakPolarHBondContact O-CB 3.31Å; I2131-R2135 WeakPolarHBondContact O-CD 3.36Å; I2131-R2135 WeakPolarHBondContact O-CG 3.33Å; I2131-R2135 PolarHBondContact O-N 3.1Å; L2132-R2135 PolarHBondContact O-N 3.47Å; R2133-R2135 PolarHBondContact O-N 3.03Å; R2135-S2139 WeakPolarHBondContact O-CB 3.4Å; R2135-S2139 PolarHBondContact O-N 3.15Å
2136M84.1Confident81.8Confident85 Ų8571.9 Ų71.942%0.41935%0.354SS..Hα-helixtrans-65.6-39.8174.4-73.7-174-53.400111.1L2132 R2133 S2134 S2139 Y2140L2132-M2136 HydrophobicContact CD2-CE 3.76Å; L2132-M2136 HydrophobicContact CD2-SD 3.98Å; L2132-M2136 WeakPolarHBondContact O-CB 3.25Å; L2132-M2136 VanDerWaalsContact O-CG 3.29Å; L2132-M2136 WeakPolarHBondContact O-CG 3.41Å; L2132-M2136 PolarHBondContact O-N 2.72Å; R2133-M2136 HydrophobicContact CG-CE 4.32Å; R2133-M2136 PolarHBondContact O-N 2.73Å; R2133-M2136 VanDerWaalsContact O-N 3.12Å; S2134-M2136 PolarHBondContact O-N 3.47Å; M2136-S2139 PolarHBondContact O-N 3.31Å; M2136-Y2140 WeakPolarHBondContact O-CB 3.01Å; M2136-Y2140 PolarHBondContact O-N 3.06Å
2137S83.5Confident82.1Confident0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-67.5-45.6176.8-65.40000112.7R2133 S2134 S2139 Y2140 L2141 S2257 I2258 T2261R2133-S2137 PolarHBondContact O-N 3.01Å; R2133-S2137 PolarHBondContact O-OG 3.38Å; S2134-S2137 PolarHBondContact O-N 2.73Å; S2137-S2139 VanDerWaalsContact C-N 3.32Å; S2137-S2139 PolarHBondContact O-N 3.07Å; S2137-Y2140 PolarHBondContact O-N 2.74Å; S2137-L2141 WeakPolarHBondContact O-CB 3.32Å; S2137-L2141 PolarHBondContact O-N 3.13Å; S2137-S2257 PolarHBondContact OG-O 3.06Å; S2137-I2258 WeakPolarHBondContact OG-CA 3.42Å; S2137-I2258 PolarHBondContact OG-N 3.4Å; S2137-T2261 PolarHBondContact OG-OG1 2.9Å
2138V85.9Confident82.6Confident19 Ų1962.1 Ų62.112%0.11532%0.318CS..Hα-helixtrans-65.9-34.5174172.30000111.4L2119 T2120 S2134 K2142L2119-V2138 HydrophobicContact CB-CG2 4.17Å; T2120-V2138 WeakPolarHBondContact OG1-CG2 3.25Å; S2134-V2138 WeakPolarHBondContact O-CG2 3.13Å; S2134-V2138 PolarHBondContact O-N 3.03Å; V2138-K2142 HydrophobicContact CG1-CD 4.22Å; V2138-K2142 WeakPolarHBondContact O-CB 3.37Å; V2138-K2142 VanDerWaalsContact O-CG 3.23Å; V2138-K2142 WeakPolarHBondContact O-CG 3.41Å; V2138-K2142 PolarHBondContact O-N 3.22Å; V2138-K2142 VanDerWaalsContact O-N 3.08Å
2139S84.9Confident83.1Confident82 Ų8257.1 Ų57.157%0.57329%0.287SS*.Hα-helixtrans-73.1-32.5174.5-168.70000112.9R2135 M2136 S2137 G2143R2135-S2139 WeakPolarHBondContact O-CB 3.4Å; R2135-S2139 PolarHBondContact O-N 3.15Å; M2136-S2139 PolarHBondContact O-N 3.31Å; S2137-S2139 VanDerWaalsContact C-N 3.32Å; S2137-S2139 PolarHBondContact O-N 3.07Å; S2139-G2143 PolarHBondContact O-N 3.23Å
2140Y87.5Confident83.5Confident48 Ų4853.5 Ų53.519%0.18827%0.268CS..Hα-helixtrans-69.5-47.6174.3-178.7-86.9000110.2M2136 S2137 K2142 G2143 Y2144 P2255 S2257 I2258 F2337M2136-Y2140 WeakPolarHBondContact O-CB 3.01Å; M2136-Y2140 PolarHBondContact O-N 3.06Å; S2137-Y2140 PolarHBondContact O-N 2.74Å; Y2140-K2142 VanDerWaalsContact C-N 3.28Å; Y2140-K2142 PolarHBondContact O-N 3.18Å; Y2140-G2143 WeakPolarHBondContact O-CA 3.49Å; Y2140-G2143 PolarHBondContact O-N 3.3Å; Y2140-Y2144 HydrophobicContact CD1-CE2 4.1Å; Y2140-Y2144 HydrophobicContact CE1-CD2 4.34Å; Y2140-Y2144 AromaticContact CE1-CE2 3.61Å; Y2140-Y2144 HydrophobicContact CE1-CE2 3.61Å; Y2140-Y2144 HydrophobicContact CE2-CE2 4.21Å; Y2140-Y2144 AromaticContact CZ-CE2 3.66Å; Y2140-Y2144 WeakPolarHBondContact O-CD2 3.45Å; Y2140-Y2144 PolarHBondContact OH-OH 3.28Å; Y2140-P2255 HydrophobicContact CE1-CB 3.73Å; Y2140-S2257 VanDerWaalsContact CG-OG 3.31Å; Y2140-I2258 HydrophobicContact CD1-CD1 3.95Å; Y2140-I2258 HydrophobicContact CD1-CG1 4.25Å; Y2140-I2258 HydrophobicContact CE1-CD1 4.15Å; Y2140-F2337 HydrophobicContact CE1-CD1 4.37Å; Y2140-F2337 HydrophobicContact CE1-CD2 4.39Å; Y2140-F2337 HydrophobicContact CE1-CG 4.32Å
2141L85.8Confident83.9Confident5 Ų553.5 Ų53.53%0.02627%0.268CS..Hα-helixtrans-60.6-36.7177.1-169.764.9000112.1L2112 L2115 N2116 L2119 S2137 G2143 Y2144 I2149 F2337L2112-L2141 HydrophobicContact CD1-CD1 3.66Å; L2112-L2141 HydrophobicContact CD1-CD2 4.11Å; L2112-L2141 HydrophobicContact CD1-CG 3.96Å; L2115-L2141 HydrophobicContact CD2-CD1 4.17Å; L2115-L2141 HydrophobicContact CG-CD2 4.33Å; N2116-L2141 HydrophobicContact CB-CD2 3.63Å; L2119-L2141 HydrophobicContact CD1-CD2 4.28Å; S2137-L2141 WeakPolarHBondContact O-CB 3.32Å; S2137-L2141 PolarHBondContact O-N 3.13Å; L2141-G2143 PolarHBondContact O-N 3.37Å; L2141-Y2144 PolarHBondContact O-N 3.44Å; L2141-I2149 HydrophobicContact CD1-CD1 4.17Å; L2141-F2337 HydrophobicContact CD1-CE1 3.88Å; L2141-F2337 HydrophobicContact CD1-CZ 4.36Å
2142K84.9Confident84.2Confident156 Ų15651.2 Ų51.268%0.67826%0.256SS*.THydrogen-bonded Turntrans-70.4-5.9172.8-76.5174.9-179.5-179.80114.9V2138 Y2140 Y2144V2138-K2142 HydrophobicContact CG1-CD 4.22Å; V2138-K2142 WeakPolarHBondContact O-CB 3.37Å; V2138-K2142 VanDerWaalsContact O-CG 3.23Å; V2138-K2142 WeakPolarHBondContact O-CG 3.41Å; V2138-K2142 PolarHBondContact O-N 3.22Å; V2138-K2142 VanDerWaalsContact O-N 3.08Å; Y2140-K2142 VanDerWaalsContact C-N 3.28Å; Y2140-K2142 PolarHBondContact O-N 3.18Å; K2142-Y2144 VanDerWaalsContact C-N 3.32Å
2143G81.2Confident84.3Confident60 Ų6048.2 Ų48.262%0.61924%0.238SC*.THydrogen-bonded Turntrans-78.1-15.417200000113.9S2139 Y2140 L2141S2139-G2143 PolarHBondContact O-N 3.23Å; Y2140-G2143 WeakPolarHBondContact O-CA 3.49Å; Y2140-G2143 PolarHBondContact O-N 3.3Å; L2141-G2143 PolarHBondContact O-N 3.37Å
2144Y83.2Confident84.5Confident34 Ų3446.4 Ų46.413%0.13323%0.231CC..SBendtrans-122.2146.3-174.9-59.5-86.5000110.4Y2140 L2141 K2142 D2148 Q2245 F2337Y2140-Y2144 HydrophobicContact CD1-CE2 4.1Å; Y2140-Y2144 HydrophobicContact CE1-CD2 4.34Å; Y2140-Y2144 AromaticContact CE1-CE2 3.61Å; Y2140-Y2144 HydrophobicContact CE1-CE2 3.61Å; Y2140-Y2144 HydrophobicContact CE2-CE2 4.21Å; Y2140-Y2144 AromaticContact CZ-CE2 3.66Å; Y2140-Y2144 WeakPolarHBondContact O-CD2 3.45Å; Y2140-Y2144 PolarHBondContact OH-OH 3.28Å; L2141-Y2144 PolarHBondContact O-N 3.44Å; K2142-Y2144 VanDerWaalsContact C-N 3.32Å; Y2144-D2148 HydrophobicContact CD1-CB 3.94Å; Y2144-D2148 HydrophobicContact CG-CB 4.47Å; Y2144-Q2245 PolarHBondContact OH-NE2 2.97Å; Y2144-Q2245 VanDerWaalsContact OH-NE2 3.11Å; Y2144-F2337 HydrophobicContact CD1-CB 4.3Å; Y2144-F2337 AromaticContact CD2-CD1 3.83Å; Y2144-F2337 HydrophobicContact CD2-CD1 3.83Å; Y2144-F2337 HydrophobicContact CE1-CB 3.95Å; Y2144-F2337 HydrophobicContact CE2-CB 4.28Å; Y2144-F2337 HydrophobicContact CE2-CD1 4.13Å; Y2144-F2337 HydrophobicContact CE2-CG 4.45Å; Y2144-F2337 HydrophobicContact CG-CD1 4.05Å
2145T82.2Confident84.6Confident53 Ų5350 Ų5033%0.32524%0.244SC..  trans-90.3176.7168.378.60000110.8E2147 D2148 I2149 R2340T2145-E2147 PolarHBondContact O-N 3.25Å; T2145-E2147 PolarHBondContact OG1-N 2.69Å; T2145-D2148 PolarHBondContact N-OD2 2.95Å; T2145-D2148 PolarHBondContact O-N 3.12Å; T2145-D2148 PolarHBondContact OG1-OD2 3.31Å; T2145-I2149 WeakPolarHBondContact O-CG1 3.41Å; T2145-R2340 PolarHBondContact OG1-NH2 2.88Å
2146Y84Confident84.5Confident112 Ų11241.6 Ų41.644%0.43921%0.212SC..THydrogen-bonded Turntrans-64.3-18.9173.665.2-93000113.1
2147E79.3Confident84.6Confident76 Ų7639 Ų3936%0.35520%0.199SC..THydrogen-bonded Turntrans-83-25.8178-54.8176.1162.500111.6I2071 T2145 I2149I2071-E2147 HydrophobicContact CD1-CB 3.67Å; T2145-E2147 PolarHBondContact O-N 3.25Å; T2145-E2147 PolarHBondContact OG1-N 2.69Å; E2147-I2149 VanDerWaalsContact C-N 3.29Å
2148D83.4Confident84.7Confident4 Ų439.8 Ų39.82%0.02120%0.204CC..SBendtrans-85.30.7177.1-53.8-64.6000112.7I2071 Y2144 T2145 I2338 R2340I2071-D2148 WeakPolarHBondContact CD1-OD1 3.45Å; I2071-D2148 WeakPolarHBondContact CG1-OD1 3.28Å; Y2144-D2148 HydrophobicContact CD1-CB 3.94Å; Y2144-D2148 HydrophobicContact CG-CB 4.47Å; T2145-D2148 PolarHBondContact N-OD2 2.95Å; T2145-D2148 PolarHBondContact O-N 3.12Å; T2145-D2148 PolarHBondContact OG1-OD2 3.31Å; D2148-I2338 PolarHBondContact O-N 2.87Å; D2148-R2340 VanDerWaalsContact OD1-CG 3.3Å; D2148-R2340 WeakPolarHBondContact OD1-CG 3.45Å; D2148-R2340 IonicContact OD1-CZ 3.82Å; D2148-R2340 IonicContact OD1-NE 4Å; D2148-R2340 PolarHBondContact OD1-NE 3.43Å; D2148-R2340 IonicContact OD1-NH2 2.76Å; D2148-R2340 PolarHBondContact OD1-NH2 3.13Å; D2148-R2340 IonicContact OD2-CZ 3.79Å; D2148-R2340 IonicContact OD2-NE 2.77Å; D2148-R2340 PolarHBondContact OD2-NE 2.93Å; D2148-R2340 IonicContact OD2-NH2 2.79Å; D2148-R2340 PolarHBondContact OD2-NH2 2.91Å
2149I88Confident84.6Confident1 Ų144 Ų441%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-122.9109.3-174.8-58.6170.4000110.2I2107 L2112 L2141 T2145 E2147 V2335 F2337I2107-I2149 HydrophobicContact CB-CB 4.32Å; I2107-I2149 HydrophobicContact CB-CG2 3.94Å; I2107-I2149 HydrophobicContact CD1-CG2 4.13Å; I2107-I2149 HydrophobicContact CG2-CB 3.65Å; I2107-I2149 HydrophobicContact CG2-CD1 4.39Å; I2107-I2149 HydrophobicContact CG2-CG2 3.76Å; I2107-I2149 PolarHBondContact N-O 2.94Å; L2112-I2149 HydrophobicContact CD1-CD1 3.75Å; L2112-I2149 HydrophobicContact CD2-CD1 4.45Å; L2141-I2149 HydrophobicContact CD1-CD1 4.17Å; T2145-I2149 WeakPolarHBondContact O-CG1 3.41Å; E2147-I2149 VanDerWaalsContact C-N 3.29Å; I2149-V2335 HydrophobicContact CG2-CG1 3.97Å; I2149-F2337 HydrophobicContact CD1-CD1 4.13Å; I2149-F2337 HydrophobicContact CD1-CE1 3.88Å; I2149-F2337 HydrophobicContact CG1-CD1 3.78Å; I2149-F2337 HydrophobicContact CG1-CE1 3.99Å; I2149-F2337 HydrophobicContact CG2-CE1 4.47Å
2150L85.2Confident84.5Confident15 Ų1543.8 Ų43.88%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-101138.6-177.7-174.168.1000111.4P2074 L2104 V2152 V2335 G2336 I2338P2074-L2150 HydrophobicContact CG-CD2 3.56Å; L2104-L2150 HydrophobicContact CB-CD1 4.18Å; L2104-L2150 HydrophobicContact CD2-CD2 4.09Å; L2104-L2150 HydrophobicContact CG-CD1 4.46Å; L2104-L2150 HydrophobicContact CG-CD2 4.27Å; L2150-V2152 HydrophobicContact CD2-CG2 3.81Å; L2150-V2152 HydrophobicContact CG-CG2 4.05Å; L2150-V2335 CarbonylContact O-C 3.39Å; L2150-V2335 WeakPolarHBondContact O-CA 3.19Å; L2150-G2336 PolarHBondContact N-O 3.29Å; L2150-G2336 PolarHBondContact O-N 2.96Å; L2150-I2338 HydrophobicContact CB-CD1 3.99Å; L2150-I2338 HydrophobicContact CD2-CD1 4.31Å
2151I86.6Confident84.4Confident1 Ų148.3 Ų48.31%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-105115.5166.7-54.4174.9000107.4G2105 I2107 R2153 I2319 Q2333G2105-I2151 PolarHBondContact N-O 3.08Å; G2105-I2151 WeakPolarHBondContact O-CA 3.48Å; G2105-I2151 WeakPolarHBondContact O-CB 3.46Å; G2105-I2151 PolarHBondContact O-N 2.66Å; I2107-I2151 HydrophobicContact CB-CD1 4.36Å; I2107-I2151 HydrophobicContact CG1-CD1 4.3Å; I2151-R2153 HydrophobicContact CG2-CG 4.41Å; I2151-I2319 HydrophobicContact CD1-CG2 4.38Å; I2151-Q2333 HydrophobicContact CG2-CG 3.64Å
2152V86.1Confident84.4Confident0 Ų048.5 Ų48.50%023%0.232CC..EExtended strand (participates in β ladder)trans-98.7134175.9-171.90000108.8V2077 A2094 L2150 F2154 F2190 Q2333 V2334V2077-V2152 HydrophobicContact CB-CG1 4.06Å; V2077-V2152 HydrophobicContact CG1-CG1 4.31Å; V2077-V2152 HydrophobicContact CG2-CG1 4.28Å; V2077-V2152 HydrophobicContact CG2-CG2 4.16Å; A2094-V2152 HydrophobicContact CB-CG1 3.95Å; L2150-V2152 HydrophobicContact CD2-CG2 3.81Å; L2150-V2152 HydrophobicContact CG-CG2 4.05Å; V2152-F2154 HydrophobicContact CB-CE2 4.38Å; V2152-F2154 HydrophobicContact CB-CZ 4.41Å; V2152-F2154 HydrophobicContact CG1-CD2 4.43Å; V2152-F2154 HydrophobicContact CG1-CE1 3.89Å; V2152-F2154 HydrophobicContact CG1-CE2 3.76Å; V2152-F2154 HydrophobicContact CG1-CZ 3.45Å; V2152-F2154 VanDerWaalsContact CG1-CZ 3.45Å; V2152-F2190 HydrophobicContact CG2-CE1 4.09Å; V2152-F2190 HydrophobicContact CG2-CZ 4.43Å; V2152-Q2333 WeakPolarHBondContact O-CA 3.29Å; V2152-V2334 PolarHBondContact N-O 2.92Å; V2152-V2334 PolarHBondContact O-N 3.48Å
2153R84.8Confident84.2Confident36 Ų3645 Ų4514%0.13623%0.226CC..EExtended strand (participates in β ladder)trans-124.8114.2178.6-58.4-174.5-175.9103.86.7110.6A2102 E2103 I2151 Y2331 Q2333A2102-R2153 PolarHBondContact O-NH1 2.87Å; E2103-R2153 PolarHBondContact O-N 2.94Å; I2151-R2153 HydrophobicContact CG2-CG 4.41Å; R2153-Y2331 HydrophobicContact CB-CD1 3.91Å; R2153-Y2331 HydrophobicContact CB-CG 4.34Å; R2153-Q2333 HydrophobicContact CG-CG 4.43Å
2154F86.3Confident84.2Confident1 Ų143.3 Ų43.30%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-92.8138.7173.1-52.8-79.4000109.5V2077 L2079 Y2090 M2092 A2094 V2152 L2188 Y2331 L2332 V2334V2077-F2154 HydrophobicContact CB-CE1 4.42Å; V2077-F2154 HydrophobicContact CB-CZ 4.42Å; V2077-F2154 HydrophobicContact CG1-CE1 4.26Å; V2077-F2154 HydrophobicContact CG1-CZ 3.89Å; L2079-F2154 HydrophobicContact CB-CD1 3.8Å; L2079-F2154 HydrophobicContact CB-CD2 4.37Å; L2079-F2154 HydrophobicContact CB-CE1 3.6Å; L2079-F2154 HydrophobicContact CB-CE2 4.19Å; L2079-F2154 HydrophobicContact CB-CG 4.19Å; L2079-F2154 HydrophobicContact CB-CZ 3.81Å; L2079-F2154 HydrophobicContact CD2-CD1 4.48Å; L2079-F2154 HydrophobicContact CD2-CD2 3.79Å; L2079-F2154 HydrophobicContact CD2-CE2 4.05Å; L2079-F2154 HydrophobicContact CD2-CG 4.03Å; Y2090-F2154 WeakPolarHBondContact OH-CB 3.03Å; M2092-F2154 HydrophobicContact CB-CB 4.41Å; M2092-F2154 HydrophobicContact CB-CD1 4.32Å; M2092-F2154 HydrophobicContact CG-CB 3.82Å; M2092-F2154 HydrophobicContact CG-CD1 3.96Å; M2092-F2154 HydrophobicContact CG-CG 4.4Å; A2094-F2154 HydrophobicContact CB-CD1 4.1Å; A2094-F2154 HydrophobicContact CB-CE1 4.05Å; V2152-F2154 HydrophobicContact CB-CE2 4.38Å; V2152-F2154 HydrophobicContact CB-CZ 4.41Å; V2152-F2154 HydrophobicContact CG1-CD2 4.43Å; V2152-F2154 HydrophobicContact CG1-CE1 3.89Å; V2152-F2154 HydrophobicContact CG1-CE2 3.76Å; 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 4.32Å; F2154-L2188 HydrophobicContact CZ-CD1 3.67Å; F2154-Y2331 WeakPolarHBondContact O-CD1 3.45Å; F2154-L2332 HydrophobicContact CB-CB 4.2Å; F2154-L2332 HydrophobicContact CB-CD2 4.45Å; F2154-L2332 HydrophobicContact CB-CG 4.5Å; F2154-L2332 HydrophobicContact CD2-CG 4.4Å; F2154-L2332 PolarHBondContact N-O 3.45Å; F2154-L2332 PolarHBondContact O-N 3.07Å; F2154-V2334 HydrophobicContact CE2-CB 4.3Å; F2154-V2334 HydrophobicContact CE2-CG2 3.98Å
2155R84.7Confident84.2Confident85 Ų8544.7 Ų44.732%0.32122%0.216SC..  trans-67.3145.2179-55.8177.1-170.2159.310.7109.7Y2090 M2092 E2103 E2157 Y2331Y2090-R2155 WeakPolarHBondContact CE2-O 3.38Å; Y2090-R2155 PolarHBondContact OH-O 3.47Å; M2092-R2155 HydrophobicContact CE-CB 3.79Å; M2092-R2155 HydrophobicContact CE-CG 4.39Å; M2092-R2155 HydrophobicContact SD-CB 3.96Å; M2092-R2155 HydrophobicContact SD-CG 4Å; E2103-R2155 IonicContact OE1-CZ 3.03Å; E2103-R2155 IonicContact OE1-NE 3.68Å; E2103-R2155 PolarHBondContact OE1-NE 2.94Å; E2103-R2155 IonicContact OE1-NH2 2.69Å; E2103-R2155 PolarHBondContact OE1-NH2 3.38Å; E2103-R2155 IonicContact OE2-NH2 2.83Å; R2155-E2157 PolarHBondContact O-N 2.85Å; R2155-Y2331 HydrophobicContact CG-CE1 4.01Å
2156P83Confident84.2Confident0 Ų046.8 Ų46.80%022%0.223CC..SBendtrans-67.3-20.7-176.523.8-31.6000114I2304 A2305 T2306 Y2326 R2329 P2330P2156-I2304 HydrophobicContact CB-CG2 4.44Å; P2156-I2304 CarbonylContact O-C 3.55Å; P2156-I2304 WeakPolarHBondContact O-CA 3.22Å; P2156-I2304 WeakPolarHBondContact O-CG2 3.49Å; P2156-A2305 PolarHBondContact O-N 3.38Å; P2156-T2306 HydrophobicContact CB-CG2 4.46Å; P2156-Y2326 HydrophobicContact CG-CD1 4.12Å; P2156-R2329 HydrophobicContact CB-CB 3.98Å; P2156-R2329 HydrophobicContact CG-CB 3.71Å; P2156-P2330 WeakPolarHBondContact CB-O 3.42Å
2157E85.1Confident84.2Confident31 Ų3147.6 Ų47.615%0.14523%0.234CC..BIsolated β-bridgetrans-101133.1-179.4-69164.4-165.300109.6M2092 R2155 M2302 I2304 S2327 R2329M2092-E2157 WeakPolarHBondContact CE-O 3.17Å; R2155-E2157 PolarHBondContact O-N 2.85Å; E2157-M2302 HydrophobicContact CB-CE 3.75Å; E2157-M2302 HydrophobicContact CG-CE 3.65Å; E2157-I2304 HydrophobicContact CG-CG1 4.28Å; E2157-S2327 WeakPolarHBondContact OE1-CB 3.43Å; E2157-S2327 PolarHBondContact OE1-OG 3.42Å; E2157-R2329 IonicContact OE1-CZ 2.75Å; E2157-R2329 IonicContact OE1-NH1 3.13Å; E2157-R2329 PolarHBondContact OE1-NH1 2.64Å
2158S86.2Confident84.4Confident16 Ų1645.4 Ų45.411%0.11223%0.227CC..  trans-57.3136.8177.7-174.70000111.9E2091 I2160 W2303E2091-S2158 PolarHBondContact N-OG 2.91Å; E2091-S2158 PolarHBondContact O-OG 3.28Å; S2158-I2160 VanDerWaalsContact C-N 3.29Å; S2158-I2160 PolarHBondContact O-N 3.18Å; S2158-I2160 PolarHBondContact OG-O 2.99Å; S2158-W2303 WeakPolarHBondContact CB-O 3.31Å; S2158-W2303 PolarHBondContact N-O 2.91Å
2159E84.3Confident84.4Confident107 Ų10746.5 Ų46.550%0.523%0.231SC..SBendtrans-69-32.2177.6-174.7175.9-179.300111.5E2091 M2092 E2093E2091-E2159 WeakPolarHBondContact O-CB 3.38Å; E2091-E2159 PolarHBondContact O-N 3.07Å; M2092-E2159 HydrophobicContact CE-CB 3.74Å; M2092-E2159 HydrophobicContact SD-CB 4.35Å; E2093-E2159 PolarHBondContact N-OE2 3.07Å
2160I83.3Confident84.4Confident78 Ų7850.1 Ų50.140%0.425%0.251SS..SBendtrans-109.9128.9-179-58.5177.3000109.1E2091 S2158E2091-I2160 HydrophobicContact CB-CD1 4.46Å; E2091-I2160 HydrophobicContact CG-CD1 4.21Å; S2158-I2160 VanDerWaalsContact C-N 3.29Å; S2158-I2160 PolarHBondContact O-N 3.18Å; S2158-I2160 PolarHBondContact OG-O 2.99Å
2161Y84.6Confident84.3Confident143 Ų14351.4 Ų51.456%0.56126%0.263SS*.  trans-62.3135.2168.9-68.8-67.4000110.3P2163 M2302Y2161-P2163 WeakPolarHBondContact O-CD 3.28Å; Y2161-M2302 HydrophobicContact CD1-CB 4.19Å; Y2161-M2302 HydrophobicContact CE1-CB 4.38Å
2162W85Confident84.2Confident10 Ų1051.3 Ų51.34%0.03826%0.263CS..  trans-60106.6-169.9-177.438.2000112.3L2089 I2164 R2169 M2172 L2226 K2301 W2303L2089-W2162 HydrophobicContact CD2-CZ2 3.75Å; W2162-I2164 HydrophobicContact CD2-CB 4.07Å; W2162-I2164 HydrophobicContact CD2-CG2 3.61Å; W2162-I2164 HydrophobicContact CE3-CG2 3.63Å; W2162-I2164 HydrophobicContact CG-CG2 4.35Å; W2162-I2164 HydrophobicContact CH2-CB 4.46Å; W2162-I2164 HydrophobicContact CH2-CD1 3.84Å; W2162-I2164 HydrophobicContact CH2-CG2 3.74Å; W2162-I2164 HydrophobicContact CZ2-CB 4Å; W2162-I2164 HydrophobicContact CZ2-CD1 3.29Å; W2162-I2164 HydrophobicContact CZ2-CG1 4.21Å; W2162-I2164 HydrophobicContact CZ2-CG2 3.76Å; W2162-I2164 HydrophobicContact CZ3-CG2 3.69Å; W2162-I2164 PolarHBondContact O-N 3.43Å; W2162-R2169 HydrophobicContact CH2-CG 4.45Å; W2162-M2172 HydrophobicContact CH2-SD 4.25Å; W2162-M2172 HydrophobicContact CZ2-CE 4.33Å; W2162-M2172 HydrophobicContact CZ2-SD 3.91Å; W2162-L2226 HydrophobicContact CH2-CD2 3.41Å; W2162-L2226 VanDerWaalsContact CH2-CD2 3.41Å; W2162-L2226 HydrophobicContact CZ2-CD2 4.08Å; W2162-L2226 HydrophobicContact CZ3-CD2 4.23Å; W2162-K2301 HydrophobicContact CB-CB 4.49Å; W2162-K2301 HydrophobicContact CE3-CB 4.4Å; W2162-K2301 HydrophobicContact CE3-CD 4.3Å; W2162-K2301 PolarHBondContact N-O 3.01Å; W2162-W2303 AromaticContact CD2-NE1 3.27Å; W2162-W2303 VanDerWaalsContact CD2-NE1 3.27Å; W2162-W2303 AromaticContact CE2-NE1 3.78Å; W2162-W2303 HydrophobicContact CE3-CZ2 4.32Å; W2162-W2303 AromaticContact CE3-NE1 3.38Å; W2162-W2303 AromaticContact CG-CD1 3.86Å; W2162-W2303 AromaticContact CG-NE1 3.54Å; W2162-W2303 HydrophobicContact CH2-CZ2 4.24Å; W2162-W2303 HydrophobicContact CZ3-CZ2 4.07Å; W2162-W2303 AromaticContact CZ3-NE1 3.99Å
2163P80.9Confident84.1Confident83 Ų8352.7 Ų52.754%0.53927%0.27SS..  trans-89.550.8-163.135.9-34.5000111.4P2087 Y2161P2087-P2163 HydrophobicContact CB-CG 3.97Å; Y2161-P2163 WeakPolarHBondContact O-CD 3.28Å
2164I81Confident84.1Confident24 Ų2453.9 Ų53.912%0.12328%0.279CS..  trans-92.5130.1-178-157.9166.9000111.4W2162 S2168 R2169 M2172W2162-I2164 HydrophobicContact CD2-CB 4.07Å; W2162-I2164 HydrophobicContact CD2-CG2 3.61Å; W2162-I2164 HydrophobicContact CE3-CG2 3.63Å; W2162-I2164 HydrophobicContact CG-CG2 4.35Å; W2162-I2164 HydrophobicContact CH2-CB 4.46Å; W2162-I2164 HydrophobicContact CH2-CD1 3.84Å; W2162-I2164 HydrophobicContact CH2-CG2 3.74Å; W2162-I2164 HydrophobicContact CZ2-CB 4Å; W2162-I2164 HydrophobicContact CZ2-CD1 3.29Å; W2162-I2164 HydrophobicContact CZ2-CG1 4.21Å; W2162-I2164 HydrophobicContact CZ2-CG2 3.76Å; W2162-I2164 HydrophobicContact CZ3-CG2 3.69Å; W2162-I2164 PolarHBondContact O-N 3.43Å; I2164-S2168 WeakPolarHBondContact CG1-OG 3.34Å; I2164-R2169 HydrophobicContact CD1-CB 4.02Å; I2164-R2169 HydrophobicContact CG1-CB 4.22Å; I2164-R2169 HydrophobicContact CG2-CB 4.21Å; I2164-M2172 HydrophobicContact CD1-SD 4.21Å
2165S84.1Confident83.7Confident62 Ų6257.9 Ų57.943%0.43430%0.296SS..  trans-68151.5167.776.20000110.2D2167 S2168 R2169S2165-D2167 PolarHBondContact O-N 3.03Å; S2165-S2168 PolarHBondContact N-OG 3.41Å; S2165-S2168 PolarHBondContact O-N 3.43Å; S2165-S2168 PolarHBondContact O-OG 2.74Å; S2165-S2168 WeakPolarHBondContact OG-CB 3.21Å; S2165-S2168 PolarHBondContact OG-N 2.87Å; S2165-S2168 PolarHBondContact OG-OG 2.94Å; S2165-R2169 WeakPolarHBondContact O-CB 3.25Å; S2165-R2169 PolarHBondContact O-N 3.48Å
2166Q81.3Confident83.3Confident98 Ų9853.9 Ų53.946%0.45828%0.282SS..Hα-helixtrans-61.2-30.9177.9-176.162.728.200111.6R2169 N2170Q2166-R2169 PolarHBondContact O-N 3.36Å; Q2166-N2170 PolarHBondContact NE2-OD1 3.35Å; Q2166-N2170 VanDerWaalsContact NE2-OD1 3.1Å; Q2166-N2170 WeakPolarHBondContact O-CB 3.46Å; Q2166-N2170 PolarHBondContact O-N 2.82Å; Q2166-N2170 PolarHBondContact O-ND2 2.93Å; Q2166-N2170 PolarHBondContact O-OD1 3.01Å
2167D84.4Confident83.2Confident128 Ų12857.3 Ų57.368%0.68431%0.305SS*.Hα-helixtrans-70-44175.2-63.1-38.9000112.4S2165 R2169 N2170 A2171S2165-D2167 PolarHBondContact O-N 3.03Å; D2167-R2169 VanDerWaalsContact C-N 3.31Å; D2167-R2169 PolarHBondContact O-N 3.41Å; D2167-N2170 PolarHBondContact O-N 2.76Å; D2167-A2171 WeakPolarHBondContact O-CB 3.44Å; D2167-A2171 PolarHBondContact O-N 2.74Å
2168S84.1Confident82.7Confident30 Ų3062.7 Ų62.721%0.2132%0.324CS..Hα-helixtrans-68.2-29.7174.251.80000112.7Y2086 I2164 S2165 M2172Y2086-S2168 WeakPolarHBondContact CE1-O 3.38Å; I2164-S2168 WeakPolarHBondContact CG1-OG 3.34Å; S2165-S2168 PolarHBondContact N-OG 3.41Å; S2165-S2168 PolarHBondContact O-N 3.43Å; S2165-S2168 PolarHBondContact O-OG 2.74Å; S2165-S2168 WeakPolarHBondContact OG-CB 3.21Å; S2165-S2168 PolarHBondContact OG-N 2.87Å; S2165-S2168 PolarHBondContact OG-OG 2.94Å; S2168-M2172 VanDerWaalsContact O-CB 3.27Å; S2168-M2172 WeakPolarHBondContact O-CB 3.34Å; S2168-M2172 PolarHBondContact O-N 2.83Å
2169R83.2Confident82Confident27 Ų2769.2 Ų69.210%0.10236%0.358CS..Hα-helixtrans-66.1-43.7169.2-177.4-172.6177.6-153.73111.8W2162 I2164 S2165 Q2166 D2167 M2172 I2173 L2226 R2227W2162-R2169 HydrophobicContact CH2-CG 4.45Å; I2164-R2169 HydrophobicContact CD1-CB 4.02Å; I2164-R2169 HydrophobicContact CG1-CB 4.22Å; I2164-R2169 HydrophobicContact CG2-CB 4.21Å; S2165-R2169 WeakPolarHBondContact O-CB 3.25Å; S2165-R2169 PolarHBondContact O-N 3.48Å; Q2166-R2169 PolarHBondContact O-N 3.36Å; D2167-R2169 VanDerWaalsContact C-N 3.31Å; D2167-R2169 PolarHBondContact O-N 3.41Å; R2169-M2172 WeakPolarHBondContact O-CB 3.36Å; R2169-M2172 PolarHBondContact O-N 3.5Å; R2169-I2173 HydrophobicContact CG-CD1 4.33Å; R2169-I2173 WeakPolarHBondContact O-CG1 3.23Å; R2169-I2173 PolarHBondContact O-N 3.4Å; R2169-L2226 VanDerWaalsContact CZ-O 3.25Å; R2169-L2226 PolarHBondContact NE-O 3.08Å; R2169-L2226 PolarHBondContact NH2-O 3.35Å; R2169-R2227 VanDerWaalsContact NH2-C 3.26Å; R2169-R2227 PolarHBondContact NH2-O 2.97Å
2170N87.3Confident81.3Confident77 Ų7767.2 Ų67.241%0.41235%0.353SS..Hα-helixtrans-63.7-43.5174.5-68.4-19.3000111.1Q2166 D2167 M2172 I2173 D2174Q2166-N2170 PolarHBondContact NE2-OD1 3.35Å; Q2166-N2170 VanDerWaalsContact NE2-OD1 3.1Å; Q2166-N2170 WeakPolarHBondContact O-CB 3.46Å; Q2166-N2170 PolarHBondContact O-N 2.82Å; Q2166-N2170 PolarHBondContact O-ND2 2.93Å; Q2166-N2170 PolarHBondContact O-OD1 3.01Å; D2167-N2170 PolarHBondContact O-N 2.76Å; N2170-M2172 VanDerWaalsContact C-N 3.32Å; N2170-M2172 PolarHBondContact O-N 3.04Å; N2170-I2173 PolarHBondContact O-N 3.39Å; N2170-D2174 WeakPolarHBondContact O-CB 3.45Å; N2170-D2174 PolarHBondContact O-N 3.25Å
2171A83.9Confident80.7Confident42 Ų4268.1 Ų68.135%0.34737%0.367SS..Hα-helixtrans-66.2-30.9175.800000113.1Y2086 D2167 K2175Y2086-A2171 PolarHBondContact OH-O 3Å; Y2086-A2171 VanDerWaalsContact OH-O 3.07Å; D2167-A2171 WeakPolarHBondContact O-CB 3.44Å; D2167-A2171 PolarHBondContact O-N 2.74Å; A2171-K2175 WeakPolarHBondContact O-CB 3.47Å; A2171-K2175 PolarHBondContact O-N 3.3Å
2172M84.1Confident80.3Confident0 Ų061.6 Ų61.60%034%0.341CS..Hα-helixtrans-66.8-47.9171.8-176.6-173.8-120.200111.1I2083 Y2086 L2089 W2162 I2164 S2168 R2169 N2170 D2174 K2175 L2176 L2226I2083-M2172 HydrophobicContact CB-CE 3.68Å; I2083-M2172 HydrophobicContact CD1-CE 3.74Å; I2083-M2172 HydrophobicContact CG1-CE 4.19Å; I2083-M2172 HydrophobicContact CG2-CE 4.01Å; Y2086-M2172 HydrophobicContact CD1-CB 4.29Å; Y2086-M2172 HydrophobicContact CD2-CB 4.37Å; Y2086-M2172 HydrophobicContact CD2-CE 3.73Å; Y2086-M2172 HydrophobicContact CD2-CG 4.13Å; Y2086-M2172 HydrophobicContact CE1-CB 3.9Å; Y2086-M2172 HydrophobicContact CE2-CB 3.94Å; Y2086-M2172 HydrophobicContact CE2-CE 4.48Å; Y2086-M2172 HydrophobicContact CE2-CG 3.96Å; Y2086-M2172 HydrophobicContact CG-CE 3.78Å; Y2086-M2172 WeakPolarHBondContact OH-CA 3.49Å; Y2086-M2172 PolarHBondContact OH-N 2.89Å; L2089-M2172 HydrophobicContact CD2-CE 4.35Å; W2162-M2172 HydrophobicContact CH2-SD 4.25Å; W2162-M2172 HydrophobicContact CZ2-CE 4.33Å; W2162-M2172 HydrophobicContact CZ2-SD 3.91Å; I2164-M2172 HydrophobicContact CD1-SD 4.21Å; S2168-M2172 VanDerWaalsContact O-CB 3.27Å; S2168-M2172 WeakPolarHBondContact O-CB 3.34Å; S2168-M2172 PolarHBondContact O-N 2.83Å; R2169-M2172 WeakPolarHBondContact O-CB 3.36Å; R2169-M2172 PolarHBondContact O-N 3.5Å; N2170-M2172 VanDerWaalsContact C-N 3.32Å; N2170-M2172 PolarHBondContact O-N 3.04Å; M2172-D2174 VanDerWaalsContact C-N 3.28Å; M2172-D2174 PolarHBondContact O-N 3.46Å; M2172-K2175 PolarHBondContact O-N 3.35Å; M2172-L2176 HydrophobicContact CG-CD1 4.11Å; M2172-L2176 WeakPolarHBondContact O-CB 3.46Å; M2172-L2176 WeakPolarHBondContact O-CD1 3.25Å; M2172-L2176 VanDerWaalsContact O-CG 3.29Å; M2172-L2176 WeakPolarHBondContact O-CG 3.25Å; M2172-L2176 PolarHBondContact O-N 2.99Å; M2172-L2226 HydrophobicContact CG-CD1 3.98Å; M2172-L2226 HydrophobicContact SD-CD1 3.78Å; M2172-L2226 HydrophobicContact SD-CD2 3.5Å; M2172-L2226 VanDerWaalsContact SD-CD2 3.5Å; M2172-L2226 HydrophobicContact SD-CG 4.34Å
2173I83.8Confident80.2Confident29 Ų2962.7 Ų62.715%0.14935%0.348CS..Hα-helixtrans-60.3-40174.7-67.7165.3000110.5R2169 N2170 L2176 S2177 L2226 R2227R2169-I2173 HydrophobicContact CG-CD1 4.33Å; R2169-I2173 WeakPolarHBondContact O-CG1 3.23Å; R2169-I2173 PolarHBondContact O-N 3.4Å; N2170-I2173 PolarHBondContact O-N 3.39Å; I2173-L2176 PolarHBondContact O-N 2.71Å; I2173-S2177 PolarHBondContact O-N 3.24Å; I2173-L2226 HydrophobicContact CD1-CB 4.2Å; I2173-L2226 HydrophobicContact CG1-CB 3.96Å; I2173-L2226 HydrophobicContact CG1-CD1 4.11Å; I2173-R2227 HydrophobicContact CD1-CG 4.42Å
2174D84.4Confident80.3Confident61 Ų6158.9 Ų58.933%0.32632%0.323SS..Hα-helixtrans-64.8-51.5174.9-177.119.3000112.4N2170 M2172 L2176 S2177 R2178N2170-D2174 WeakPolarHBondContact O-CB 3.45Å; N2170-D2174 PolarHBondContact O-N 3.25Å; M2172-D2174 VanDerWaalsContact C-N 3.28Å; M2172-D2174 PolarHBondContact O-N 3.46Å; D2174-L2176 PolarHBondContact O-N 3.39Å; D2174-S2177 WeakPolarHBondContact O-CA 3.44Å; D2174-S2177 WeakPolarHBondContact O-CB 3.13Å; D2174-S2177 PolarHBondContact O-N 2.95Å; D2174-S2177 PolarHBondContact O-OG 3.1Å; D2174-R2178 VanDerWaalsContact CG-NE 3.35Å; D2174-R2178 WeakPolarHBondContact O-CG 3.24Å; D2174-R2178 PolarHBondContact O-N 3.5Å; D2174-R2178 IonicContact OD1-CZ 3.59Å; D2174-R2178 IonicContact OD1-NE 2.74Å; D2174-R2178 PolarHBondContact OD1-NE 3.07Å; D2174-R2178 IonicContact OD1-NH2 3.87Å; D2174-R2178 PolarHBondContact OD1-NH2 2.9Å; D2174-R2178 IonicContact OD2-CZ 3.13Å; D2174-R2178 IonicContact OD2-NE 3.8Å; D2174-R2178 PolarHBondContact OD2-NE 2.65Å; D2174-R2178 IonicContact OD2-NH2 2.69Å; D2174-R2178 PolarHBondContact OD2-NH2 3.26Å
2175K79.8Confident80.7Confident84 Ų8460.4 Ų60.437%0.36533%0.33SS..Hα-helixtrans-54.2-35.3173.2-90.7-159.3-168.71730113Y2086 A2171 M2172 T2180 V2182Y2086-K2175 HydrophobicContact CE2-CD 3.98Å; Y2086-K2175 WeakPolarHBondContact OH-CD 3.37Å; A2171-K2175 WeakPolarHBondContact O-CB 3.47Å; A2171-K2175 PolarHBondContact O-N 3.3Å; M2172-K2175 PolarHBondContact O-N 3.35Å; K2175-T2180 PolarHBondContact O-OG1 3.4Å; K2175-T2180 VanDerWaalsContact O-OG1 3.05Å; K2175-V2182 HydrophobicContact CB-CG2 4.38Å; K2175-V2182 HydrophobicContact CD-CG2 4.48Å
2176L76.3Confident80.9Confident2 Ų257.4 Ų57.41%0.0131%0.309CS..Hα-helixtrans-78.1-23.5177.4-72165.4000113M2172 I2173 D2174 I2212 I2222 Q2223 L2226M2172-L2176 HydrophobicContact CG-CD1 4.11Å; M2172-L2176 WeakPolarHBondContact O-CB 3.46Å; M2172-L2176 WeakPolarHBondContact O-CD1 3.25Å; M2172-L2176 VanDerWaalsContact O-CG 3.29Å; M2172-L2176 WeakPolarHBondContact O-CG 3.25Å; M2172-L2176 PolarHBondContact O-N 2.99Å; I2173-L2176 PolarHBondContact O-N 2.71Å; D2174-L2176 PolarHBondContact O-N 3.39Å; L2176-I2212 HydrophobicContact CD2-CD1 4.35Å; L2176-I2222 HydrophobicContact CD1-CG2 3.56Å; L2176-I2222 HydrophobicContact CD2-CG2 4.48Å; L2176-Q2223 HydrophobicContact CB-CG 4.31Å; L2176-Q2223 PolarHBondContact O-NE2 2.85Å; L2176-L2226 HydrophobicContact CD1-CD1 3.34Å
2177S79.7Confident81.2Confident71 Ų7154.1 Ų54.150%0.49730%0.296SS..Hα-helixtrans-78.7-28.7173.480.70000113I2173 D2174I2173-S2177 PolarHBondContact O-N 3.24Å; D2174-S2177 WeakPolarHBondContact O-CA 3.44Å; D2174-S2177 WeakPolarHBondContact O-CB 3.13Å; D2174-S2177 PolarHBondContact O-N 2.95Å; D2174-S2177 PolarHBondContact O-OG 3.1Å
2178R74Confident81.5Confident145 Ų14548.1 Ų48.155%0.54726%0.264SS..SBendtrans-80.5152.3177.4-64176.4-168-143.18.2111.2D2174 T2180 R2219D2174-R2178 VanDerWaalsContact CG-NE 3.35Å; D2174-R2178 WeakPolarHBondContact O-CG 3.24Å; D2174-R2178 PolarHBondContact O-N 3.5Å; D2174-R2178 IonicContact OD1-CZ 3.59Å; D2174-R2178 IonicContact OD1-NE 2.74Å; D2174-R2178 PolarHBondContact OD1-NE 3.07Å; D2174-R2178 IonicContact OD1-NH2 3.87Å; D2174-R2178 PolarHBondContact OD1-NH2 2.9Å; D2174-R2178 IonicContact OD2-CZ 3.13Å; D2174-R2178 IonicContact OD2-NE 3.8Å; D2174-R2178 PolarHBondContact OD2-NE 2.65Å; D2174-R2178 IonicContact OD2-NH2 2.69Å; D2174-R2178 PolarHBondContact OD2-NH2 3.26Å; R2178-T2180 PolarHBondContact O-N 2.94Å; R2178-R2219 PolarHBondContact O-NH1 3.4Å
2179N72.3Confident81.8Confident152 Ų15248.2 Ų48.281%0.81326%0.261SS*.SBendtrans-70.524.3174.9-79.3-2.6000114.3
2180T70.2Confident82Confident65 Ų6547 Ų4740%0.39926%0.257SS..  trans-74138.5169.434.10000110.9K2175 R2178 R2219K2175-T2180 PolarHBondContact O-OG1 3.4Å; K2175-T2180 VanDerWaalsContact O-OG1 3.05Å; R2178-T2180 PolarHBondContact O-N 2.94Å; T2180-R2219 PolarHBondContact O-NH1 3.12Å; T2180-R2219 PolarHBondContact O-NH2 3.47Å
2181S70.6Confident81.9Confident98 Ų9843.8 Ų43.869%0.68524%0.24SC*.  trans-64.7131.8160.751.50000108.9
2182V75Confident81.6Confident5 Ų542 Ų423%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-130.9124.2174.4178.90000105.9I2083 K2175 I2212I2083-V2182 HydrophobicContact CG2-CG1 3.42Å; I2083-V2182 VanDerWaalsContact CG2-CG1 3.42Å; K2175-V2182 HydrophobicContact CB-CG2 4.38Å; K2175-V2182 HydrophobicContact CD-CG2 4.48Å; V2182-I2212 HydrophobicContact CB-CD1 4.5Å; V2182-I2212 HydrophobicContact CG1-CD1 4.26Å; V2182-I2212 VanDerWaalsContact O-CB 3.27Å; V2182-I2212 WeakPolarHBondContact O-CB 3.38Å; V2182-I2212 WeakPolarHBondContact O-CG1 3.47Å; V2182-I2212 PolarHBondContact O-N 2.66Å
2183N82.8Confident80.9Confident34 Ų3445.1 Ų45.118%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-87145.5176.9-59.8-67000111E2084 L2209 P2211E2084-N2183 HydrophobicContact CB-CB 4.24Å; E2084-N2183 WeakPolarHBondContact CB-O 3.44Å; E2084-N2183 PolarHBondContact N-O 2.88Å; E2084-N2183 VanDerWaalsContact OE2-CB 3.31Å; E2084-N2183 WeakPolarHBondContact OE2-CB 3.46Å; E2084-N2183 PolarHBondContact OE2-N 3.4Å; E2084-N2183 PolarHBondContact OE2-ND2 3.2Å; N2183-L2209 HydrophobicContact CB-CB 4.43Å; N2183-L2209 HydrophobicContact CB-CD2 4.27Å; N2183-P2211 WeakPolarHBondContact OD1-CA 3.38Å
2184F84.6Confident79.9Confident2 Ų252 Ų521%0.00927%0.27CS..EExtended strand (participates in β ladder)trans-94128.9163.4-175.9-99.4000107.3I2081 I2083 L2089 V2186 V2210 I2212 I2236 L2288 L2290I2081-F2184 HydrophobicContact CG2-CE1 3.8Å; I2081-F2184 HydrophobicContact CG2-CE2 3.76Å; I2081-F2184 HydrophobicContact CG2-CZ 3.14Å; I2083-F2184 HydrophobicContact CD1-CD2 4.46Å; I2083-F2184 HydrophobicContact CG1-CD2 3.8Å; I2083-F2184 HydrophobicContact CG1-CE2 4.44Å; L2089-F2184 HydrophobicContact CD1-CE2 3.97Å; F2184-V2186 HydrophobicContact CD1-CG2 4.01Å; F2184-V2186 HydrophobicContact CE1-CG2 3.64Å; F2184-V2210 HydrophobicContact CB-CB 4.4Å; F2184-V2210 PolarHBondContact N-O 3.44Å; F2184-V2210 PolarHBondContact O-N 3.06Å; F2184-I2212 HydrophobicContact CB-CD1 4.3Å; F2184-I2212 HydrophobicContact CB-CG1 4.06Å; F2184-I2236 HydrophobicContact CD1-CD1 3.9Å; F2184-I2236 HydrophobicContact CD1-CG2 4.05Å; F2184-I2236 HydrophobicContact CD2-CD1 3.41Å; F2184-I2236 VanDerWaalsContact CD2-CD1 3.41Å; F2184-I2236 HydrophobicContact CE1-CD1 3.74Å; F2184-I2236 HydrophobicContact CE1-CG2 4.24Å; F2184-I2236 HydrophobicContact CE2-CD1 3.25Å; F2184-I2236 HydrophobicContact CG-CD1 3.72Å; F2184-I2236 HydrophobicContact CZ-CD1 3.39Å; F2184-L2288 HydrophobicContact CE1-CD2 4.31Å; F2184-L2288 HydrophobicContact CZ-CD2 3.96Å; F2184-L2290 HydrophobicContact CE2-CD1 3.84Å; F2184-L2290 HydrophobicContact CZ-CD1 3.86Å
2185E88Confident78.7Confident56 Ų5652.5 Ų52.526%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-115.2119.1-172.6174.5-176.3-158.200109.5I2081 S2082 L2209I2081-E2185 WeakPolarHBondContact CA-O 3.37Å; S2082-E2185 PolarHBondContact N-O 2.98Å; S2082-E2185 PolarHBondContact O-N 2.72Å; S2082-E2185 WeakPolarHBondContact OG-CB 3.31Å; S2082-E2185 PolarHBondContact OG-O 2.97Å; S2082-E2185 PolarHBondContact OG-OE2 3.04Å; S2082-E2185 VanDerWaalsContact OG-OE2 3.06Å; E2185-L2209 HydrophobicContact CB-CD2 3.92Å; E2185-L2209 HydrophobicContact CG-CD2 4.05Å
2186V88.3Confident77.6Confident0 Ų052.3 Ų52.30%028%0.28CS..EExtended strand (participates in β ladder)trans-105.2113.4168.3-179.30000106.9L2079 F2184 S2207 W2208 I2240L2079-V2186 HydrophobicContact CD1-CG1 3.87Å; F2184-V2186 HydrophobicContact CD1-CG2 4.01Å; F2184-V2186 HydrophobicContact CE1-CG2 3.64Å; V2186-S2207 CarbonylContact O-C 3.49Å; V2186-S2207 WeakPolarHBondContact O-CA 3.37Å; V2186-W2208 HydrophobicContact CB-CE3 4.46Å; V2186-W2208 HydrophobicContact CG1-CE3 4.24Å; V2186-W2208 PolarHBondContact N-O 3.11Å; V2186-W2208 PolarHBondContact O-N 3.5Å; V2186-I2240 HydrophobicContact CG1-CB 4.48Å; V2186-I2240 HydrophobicContact CG1-CG1 4.38Å
2187S88.9Confident76.5Confident28 Ų2857.5 Ų57.520%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-115.7131.2176.7510000111.3R2080 K2206R2080-S2187 WeakPolarHBondContact CB-OG 3.49Å; R2080-S2187 PolarHBondContact N-O 3.05Å; R2080-S2187 PolarHBondContact O-N 3.14Å; S2187-K2206 WeakPolarHBondContact CA-O 3.32Å
2188L90.6Very high75.3Confident2 Ų256.1 Ų56.11%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-124.1131.6179.9-177.569.9000109V2077 L2079 F2154 F2190 S2205 K2206 W2208 I2244 L2252 V2334V2077-L2188 HydrophobicContact CG1-CD1 3.71Å; V2077-L2188 HydrophobicContact CG1-CG 4.42Å; L2079-L2188 HydrophobicContact CB-CD1 4.08Å; L2079-L2188 HydrophobicContact CD1-CB 4.43Å; L2079-L2188 HydrophobicContact CD1-CD1 4.16Å; F2154-L2188 HydrophobicContact CE1-CD1 4.49Å; F2154-L2188 HydrophobicContact CE2-CD1 4.32Å; F2154-L2188 HydrophobicContact CZ-CD1 3.67Å; L2188-F2190 HydrophobicContact CD2-CD2 4.4Å; L2188-F2190 HydrophobicContact CD2-CE2 3.63Å; L2188-F2190 HydrophobicContact CD2-CZ 4.39Å; L2188-F2190 HydrophobicContact CG-CD2 4.36Å; L2188-F2190 HydrophobicContact CG-CE2 4.04Å; L2188-S2205 CarbonylContact O-C 3.55Å; L2188-S2205 WeakPolarHBondContact O-CA 3.48Å; L2188-K2206 PolarHBondContact N-O 2.73Å; L2188-K2206 PolarHBondContact O-N 2.9Å; L2188-W2208 HydrophobicContact CB-CH2 4.13Å; L2188-W2208 HydrophobicContact CB-CZ3 3.71Å; L2188-W2208 HydrophobicContact CD2-CH2 4.26Å; L2188-W2208 HydrophobicContact CD2-CZ3 4.44Å; L2188-I2244 HydrophobicContact CD2-CD1 3.23Å; L2188-L2252 HydrophobicContact CB-CD1 4.38Å; L2188-L2252 HydrophobicContact CD2-CD1 4.22Å; L2188-L2252 HydrophobicContact CG-CD1 4.28Å; L2188-V2334 HydrophobicContact CD2-CG1 4.49Å
2189E90Very high74.5Confident32 Ų3254.4 Ų54.415%0.1530%0.295CS..EExtended strand (participates in β ladder)trans-131.3119.7180178.2-173.4154.400110V2077 T2078 T2191 K2203 H2204V2077-E2189 WeakPolarHBondContact CA-O 3.39Å; T2078-E2189 PolarHBondContact N-O 3.37Å; T2078-E2189 PolarHBondContact O-N 3.46Å; E2189-T2191 HydrophobicContact CG-CG2 4.23Å; E2189-T2191 WeakPolarHBondContact OE1-CG2 3.47Å; E2189-K2203 HydrophobicContact CG-CB 4.39Å; E2189-K2203 VanDerWaalsContact OE1-CD 3.24Å; E2189-K2203 WeakPolarHBondContact OE1-CD 3.39Å; E2189-K2203 WeakPolarHBondContact OE1-CE 3.28Å; E2189-K2203 VanDerWaalsContact OE1-CG 3.27Å; E2189-K2203 WeakPolarHBondContact OE1-CG 3.47Å; E2189-K2203 IonicContact OE1-NZ 3.9Å; E2189-K2203 PolarHBondContact OE1-NZ 3.37Å; E2189-K2203 IonicContact OE2-NZ 2.7Å; E2189-H2204 WeakPolarHBondContact CA-O 3.42Å
2190F88.4Confident73.9Confident1 Ų149.1 Ų49.10%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-94129.5167-70.5-105.3000108.6P2074 V2077 V2152 L2188 H2204 V2246 L2252P2074-F2190 HydrophobicContact CB-CD1 4.13Å; P2074-F2190 HydrophobicContact CG-CD1 4.07Å; V2077-F2190 HydrophobicContact CB-CD1 4.35Å; V2077-F2190 HydrophobicContact CG1-CD1 3.93Å; V2077-F2190 HydrophobicContact CG1-CD2 4.09Å; V2077-F2190 HydrophobicContact CG1-CE1 3.97Å; V2077-F2190 HydrophobicContact CG1-CE2 4.16Å; V2077-F2190 HydrophobicContact CG1-CG 4Å; V2077-F2190 HydrophobicContact CG1-CZ 4.09Å; V2077-F2190 HydrophobicContact CG2-CD1 3.46Å; V2077-F2190 VanDerWaalsContact CG2-CD1 3.46Å; V2077-F2190 HydrophobicContact CG2-CE1 3.72Å; V2077-F2190 HydrophobicContact CG2-CG 4.17Å; V2152-F2190 HydrophobicContact CG2-CE1 4.09Å; V2152-F2190 HydrophobicContact CG2-CZ 4.43Å; L2188-F2190 HydrophobicContact CD2-CD2 4.4Å; L2188-F2190 HydrophobicContact CD2-CE2 3.63Å; L2188-F2190 HydrophobicContact CD2-CZ 4.39Å; L2188-F2190 HydrophobicContact CG-CD2 4.36Å; L2188-F2190 HydrophobicContact CG-CE2 4.04Å; F2190-H2204 HydrophobicContact CB-CB 4.45Å; F2190-H2204 PolarHBondContact N-O 3.49Å; F2190-H2204 PolarHBondContact O-N 3.34Å; F2190-V2246 HydrophobicContact CB-CG1 4.41Å; F2190-V2246 HydrophobicContact CD1-CG2 4.04Å; F2190-V2246 HydrophobicContact CD2-CG2 4.16Å; F2190-V2246 HydrophobicContact CE1-CG2 4.02Å; F2190-V2246 HydrophobicContact CE2-CG2 4.11Å; F2190-V2246 HydrophobicContact CG-CG2 4.12Å; F2190-V2246 HydrophobicContact CZ-CG2 4.05Å; F2190-L2252 HydrophobicContact CD2-CD1 3.82Å; F2190-L2252 HydrophobicContact CD2-CD2 3.58Å; F2190-L2252 HydrophobicContact CD2-CG 4.35Å; F2190-L2252 HydrophobicContact CE2-CD1 4.03Å; F2190-L2252 HydrophobicContact CE2-CD2 4.03Å; F2190-L2252 HydrophobicContact CG-CD2 4.41Å
2191T84.7Confident73.4Confident11 Ų1147.6 Ų47.67%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-107.5124.517269.90000110.6P2074 E2075 K2076 E2189 L2202 K2203P2074-T2191 CarbonylContact C-O 3.54Å; P2074-T2191 VanDerWaalsContact CA-O 3.22Å; P2074-T2191 WeakPolarHBondContact CA-O 3.42Å; P2074-T2191 WeakPolarHBondContact CB-O 3.47Å; E2075-T2191 PolarHBondContact N-O 3.09Å; K2076-T2191 HydrophobicContact CG-CG2 4.46Å; K2076-T2191 WeakPolarHBondContact CG-OG1 3.4Å; K2076-T2191 PolarHBondContact O-N 3.42Å; K2076-T2191 PolarHBondContact O-OG1 3.39Å; E2189-T2191 HydrophobicContact CG-CG2 4.23Å; E2189-T2191 WeakPolarHBondContact OE1-CG2 3.47Å; T2191-L2202 CarbonylContact C-O 3.55Å; T2191-L2202 VanDerWaalsContact CA-O 3.27Å; T2191-L2202 WeakPolarHBondContact CA-O 3.42Å; T2191-K2203 HydrophobicContact CG2-CG 4.17Å
2192R76.2Confident73.2Confident5 Ų547.2 Ų47.22%0.01926%0.256CS..  trans-90.4146.6172.7-63.2-166.1-161.7-135.86.3109.6S2072 L2202 H2204 V2246 P2247 D2339S2072-R2192 PolarHBondContact O-NH1 2.85Å; S2072-R2192 PolarHBondContact OG-NH1 3.47Å; R2192-L2202 PolarHBondContact N-O 3.24Å; R2192-H2204 PolarHBondContact NE-NE2 3.5Å; R2192-V2246 PolarHBondContact NH2-O 3.04Å; R2192-P2247 PolarHBondContact NH2-O 3.47Å; R2192-D2339 PolarHBondContact NH1-O 2.96Å; R2192-D2339 VanDerWaalsContact NH1-O 3.08Å
2193P71Confident73.3Confident64 Ų6452.6 Ų52.642%0.41628%0.279SS..  trans-59.3142.5175.425.7-35000110.9M2073 D2195M2073-P2193 WeakPolarHBondContact O-CD 3.19Å; P2193-D2195 PolarHBondContact O-N 3.03Å; P2193-D2195 VanDerWaalsContact O-N 3.12Å
2194Y62.1Low73.4Confident174 Ų17451 Ų5168%0.68227%0.271SS*.  trans-80.493.3-174.9-176.7-111.1000112.3P2196 L2202Y2194-P2196 HydrophobicContact CE1-CB 3.84Å; Y2194-P2196 HydrophobicContact CE1-CG 4.3Å; Y2194-P2196 WeakPolarHBondContact O-CD 3.32Å; Y2194-L2202 HydrophobicContact CD2-CD1 4.11Å; Y2194-L2202 HydrophobicContact CG-CD1 4.35Å
2195D58.5Low73.5Confident72 Ų7253.8 Ų53.839%0.38529%0.291SS..  trans-88.8110.7159-167-21.6000110.1P2193 N2197 E2198P2193-D2195 PolarHBondContact O-N 3.03Å; P2193-D2195 VanDerWaalsContact O-N 3.12Å; D2195-N2197 PolarHBondContact O-N 2.85Å; D2195-N2197 VanDerWaalsContact O-N 3.09Å; D2195-N2197 WeakPolarHBondContact OD1-CB 3.25Å; D2195-N2197 PolarHBondContact OD1-N 3.23Å; D2195-N2197 PolarHBondContact OD1-ND2 3.19Å; D2195-E2198 HydrophobicContact CB-CG 4.25Å; D2195-E2198 PolarHBondContact O-N 3.1Å
2196P57.4Low73.5Confident80 Ų8053.7 Ų53.752%0.51929%0.289SS..THydrogen-bonded Turntrans-62.1-14.7176.126.8-35.3000113.6Y2194Y2194-P2196 HydrophobicContact CE1-CB 3.84Å; Y2194-P2196 HydrophobicContact CE1-CG 4.3Å; Y2194-P2196 WeakPolarHBondContact O-CD 3.32Å
2197N52.9Low73.4Confident110 Ų11056.8 Ų56.859%0.58831%0.311SS*.THydrogen-bonded Turntrans-85.5-24.6-178.6-56.1-75.5000113.5D2195 S2344D2195-N2197 PolarHBondContact O-N 2.85Å; D2195-N2197 VanDerWaalsContact O-N 3.09Å; D2195-N2197 WeakPolarHBondContact OD1-CB 3.25Å; D2195-N2197 PolarHBondContact OD1-N 3.23Å; D2195-N2197 PolarHBondContact OD1-ND2 3.19Å; N2197-S2344 WeakPolarHBondContact O-CB 3.49Å; N2197-S2344 PolarHBondContact O-OG 3.35Å
2198E55.4Low73.3Confident43 Ų4356.4 Ų56.420%0.20131%0.305CS..THydrogen-bonded Turntrans-89.9-23.8-170.9-69.1-155.8141.100114.7T2070 D2195 A2200T2070-E2198 PolarHBondContact OG1-OE1 2.86Å; T2070-E2198 VanDerWaalsContact OG1-OE1 3.07Å; D2195-E2198 HydrophobicContact CB-CG 4.25Å; D2195-E2198 PolarHBondContact O-N 3.1Å; E2198-A2200 VanDerWaalsContact C-N 3.25Å; E2198-A2200 PolarHBondContact O-N 2.9Å
2199N57.4Low73.1Confident108 Ų10860 Ų6058%0.57832%0.324SS*.  trans58.332.8-171-57.5-98.3000113.8Q2249 S2344N2199-Q2249 PolarHBondContact O-NE2 3.03Å; N2199-S2344 WeakPolarHBondContact ND2-CB 3.45Å
2200A58.4Low72.6Confident42 Ų4259.5 Ų59.535%0.34732%0.323SS..  trans-67.8158.4166.200000111E2198E2198-A2200 VanDerWaalsContact C-N 3.25Å; E2198-A2200 PolarHBondContact O-N 2.9Å
2201A60.1Low72.1Confident32 Ų3263.3 Ų63.326%0.26435%0.348SS..  trans-77.9123.6168.200000109.4K2203 H2204A2201-K2203 PolarHBondContact O-N 3.11Å; A2201-H2204 PolarHBondContact O-NE2 3.4Å
2202L67.6Low71.6Confident90 Ų9063.6 Ų63.647%0.47135%0.349SS..SBendtrans-57.4-36.2179.1-176.773000112.4T2191 R2192 Y2194T2191-L2202 CarbonylContact C-O 3.55Å; T2191-L2202 VanDerWaalsContact CA-O 3.27Å; T2191-L2202 WeakPolarHBondContact CA-O 3.42Å; R2192-L2202 PolarHBondContact N-O 3.24Å; Y2194-L2202 HydrophobicContact CD2-CD1 4.11Å; Y2194-L2202 HydrophobicContact CG-CD1 4.35Å
2203K75.4Confident71.2Confident118 Ų11865.8 Ų65.851%0.51337%0.365SS..EExtended strand (participates in β ladder)trans-130.6122.4-174.3-62.6174.3167-78.70109.1E2189 T2191 A2201E2189-K2203 HydrophobicContact CG-CB 4.39Å; E2189-K2203 VanDerWaalsContact OE1-CD 3.24Å; E2189-K2203 WeakPolarHBondContact OE1-CD 3.39Å; E2189-K2203 WeakPolarHBondContact OE1-CE 3.28Å; E2189-K2203 VanDerWaalsContact OE1-CG 3.27Å; E2189-K2203 WeakPolarHBondContact OE1-CG 3.47Å; E2189-K2203 IonicContact OE1-NZ 3.9Å; E2189-K2203 PolarHBondContact OE1-NZ 3.37Å; E2189-K2203 IonicContact OE2-NZ 2.7Å; T2191-K2203 HydrophobicContact CG2-CG 4.17Å; A2201-K2203 PolarHBondContact O-N 3.11Å
2204H85.1Confident70.9Confident0 Ų068.6 Ų68.60%038%0.376CS..EExtended strand (participates in β ladder)trans-108.498.1169.7-60.5-87000108.1E2189 F2190 R2192 A2201 V2246 P2247 G2250 L2252E2189-H2204 WeakPolarHBondContact CA-O 3.42Å; F2190-H2204 HydrophobicContact CB-CB 4.45Å; F2190-H2204 PolarHBondContact N-O 3.49Å; F2190-H2204 PolarHBondContact O-N 3.34Å; R2192-H2204 PolarHBondContact NE-NE2 3.5Å; A2201-H2204 PolarHBondContact O-NE2 3.4Å; H2204-V2246 HydrophobicContact CB-CG1 4.09Å; H2204-P2247 PolarHBondContact CE1-O 2.85Å; H2204-P2247 PolarHBondContact ND1-O 3.05Å; H2204-P2247 PolarHBondContact NE2-O 2.94Å; H2204-G2250 PolarHBondContact ND1-O 2.65Å; H2204-L2252 HydrophobicContact CB-CD2 3.7Å; H2204-L2252 HydrophobicContact CB-CG 4.33Å
2205S87Confident71.2Confident62 Ų6264.1 Ų64.143%0.43436%0.364SS..EExtended strand (participates in β ladder)trans-108.4154.2-17764.10000111.9L2188L2188-S2205 CarbonylContact O-C 3.55Å; L2188-S2205 WeakPolarHBondContact O-CA 3.48Å
2206K88.3Confident71.7Confident53 Ų5368.4 Ų68.423%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-154.6139.5165.6-162.5173.4-152.683.90111.4S2187 L2188 W2208 E2251 L2252S2187-K2206 WeakPolarHBondContact CA-O 3.32Å; L2188-K2206 PolarHBondContact N-O 2.73Å; L2188-K2206 PolarHBondContact O-N 2.9Å; K2206-W2208 HydrophobicContact CB-CH2 4.27Å; K2206-W2208 HydrophobicContact CB-CZ2 4.25Å; K2206-W2208 HydrophobicContact CD-CZ2 3.77Å; K2206-W2208 HydrophobicContact CG-CZ2 4.21Å; K2206-E2251 IonicContact NZ-OE2 3.82Å; K2206-E2251 PolarHBondContact NZ-OE2 2.98Å; K2206-L2252 HydrophobicContact CB-CB 4.01Å; K2206-L2252 HydrophobicContact CB-CD1 4.08Å; K2206-L2252 HydrophobicContact CB-CG 4.31Å; K2206-L2252 HydrophobicContact CD-CB 4.29Å; K2206-L2252 VanDerWaalsContact CD-O 3.3Å; K2206-L2252 WeakPolarHBondContact CD-O 3.32Å; K2206-L2252 WeakPolarHBondContact CE-O 3.49Å; K2206-L2252 PolarHBondContact NZ-O 2.81Å
2207S86.6Confident72.3Confident65 Ų6568.5 Ų68.546%0.45538%0.383SS..EExtended strand (participates in β ladder)trans-112.7121.8176.2530000110.6V2186V2186-S2207 CarbonylContact O-C 3.49Å; V2186-S2207 WeakPolarHBondContact O-CA 3.37Å
2208W86.4Confident73.1Confident20 Ų2065.9 Ų65.98%0.07637%0.368CS..EExtended strand (participates in β ladder)trans-97.2115.3170.4-61-84.4000109.6V2186 L2188 K2206 P2241 I2244 L2254 F2285V2186-W2208 HydrophobicContact CB-CE3 4.46Å; V2186-W2208 HydrophobicContact CG1-CE3 4.24Å; V2186-W2208 PolarHBondContact N-O 3.11Å; V2186-W2208 PolarHBondContact O-N 3.5Å; L2188-W2208 HydrophobicContact CB-CH2 4.13Å; L2188-W2208 HydrophobicContact CB-CZ3 3.71Å; L2188-W2208 HydrophobicContact CD2-CH2 4.26Å; L2188-W2208 HydrophobicContact CD2-CZ3 4.44Å; K2206-W2208 HydrophobicContact CB-CH2 4.27Å; K2206-W2208 HydrophobicContact CB-CZ2 4.25Å; K2206-W2208 HydrophobicContact CD-CZ2 3.77Å; K2206-W2208 HydrophobicContact CG-CZ2 4.21Å; W2208-P2241 HydrophobicContact CD2-CG 4.43Å; W2208-P2241 HydrophobicContact CH2-CG 3.79Å; W2208-P2241 HydrophobicContact CZ2-CG 3.54Å; W2208-P2241 HydrophobicContact CZ3-CG 4.29Å; W2208-I2244 HydrophobicContact CH2-CD1 3.99Å; W2208-L2254 HydrophobicContact CZ2-CD2 4.46Å; W2208-F2285 AromaticContact CD1-CE2 3.86Å; W2208-F2285 HydrophobicContact CG-CE2 4.37Å
2209L85.5Confident74Confident79 Ų7964.4 Ų64.441%0.41436%0.361SS..EExtended strand (participates in β ladder)trans-90.7114.8174.9-61.9174.4000109.8N2183 E2185 R2282N2183-L2209 HydrophobicContact CB-CB 4.43Å; N2183-L2209 HydrophobicContact CB-CD2 4.27Å; E2185-L2209 HydrophobicContact CB-CD2 3.92Å; E2185-L2209 HydrophobicContact CG-CD2 4.05Å; L2209-R2282 PolarHBondContact O-NH2 3.04Å
2210V79.4Confident74.9Confident21 Ų2161.6 Ų61.613%0.12735%0.352CS..EExtended strand (participates in β ladder)trans-106114.9176.7-178.70000108.3F2184 I2212 I2236F2184-V2210 HydrophobicContact CB-CB 4.4Å; F2184-V2210 PolarHBondContact N-O 3.44Å; F2184-V2210 PolarHBondContact O-N 3.06Å; V2210-I2212 PolarHBondContact O-N 3.36Å; V2210-I2236 HydrophobicContact CG1-CG2 4.16Å
2211P77.9Confident75.8Confident80 Ų8065 Ų6552%0.51936%0.36SS..EExtended strand (participates in β ladder)trans-70.8123.7-177.827.7-33.5000110.9N2183 S2213N2183-P2211 WeakPolarHBondContact OD1-CA 3.38Å; P2211-S2213 PolarHBondContact O-N 3.41Å; P2211-S2213 VanDerWaalsContact O-N 3.12Å
2212I74.1Confident76.7Confident17 Ų1763.7 Ų63.79%0.08735%0.348CS..EExtended strand (participates in β ladder)trans-71.8110.1172.7-56.4172.2000107.7I2083 L2176 V2182 F2184 V2210 R2219 I2222I2083-I2212 HydrophobicContact CD1-CD1 4.43Å; I2083-I2212 HydrophobicContact CG1-CD1 4.5Å; L2176-I2212 HydrophobicContact CD2-CD1 4.35Å; V2182-I2212 HydrophobicContact CB-CD1 4.5Å; V2182-I2212 HydrophobicContact CG1-CD1 4.26Å; V2182-I2212 VanDerWaalsContact O-CB 3.27Å; V2182-I2212 WeakPolarHBondContact O-CB 3.38Å; V2182-I2212 WeakPolarHBondContact O-CG1 3.47Å; V2182-I2212 PolarHBondContact O-N 2.66Å; F2184-I2212 HydrophobicContact CB-CD1 4.3Å; F2184-I2212 HydrophobicContact CB-CG1 4.06Å; V2210-I2212 PolarHBondContact O-N 3.36Å; I2212-R2219 HydrophobicContact CG2-CG 4.39Å; I2212-R2219 PolarHBondContact O-NH2 2.97Å; I2212-I2222 HydrophobicContact CD1-CD1 4.36Å; I2212-I2222 HydrophobicContact CG2-CD1 3.9Å
2213S68.9Low77.2Confident51 Ų5161.3 Ų61.336%0.35733%0.334SS..  trans-52.7156.4-175.664.50000112.4P2211 D2215 R2219P2211-S2213 PolarHBondContact O-N 3.41Å; P2211-S2213 VanDerWaalsContact O-N 3.12Å; S2213-D2215 PolarHBondContact O-N 3.47Å; S2213-D2215 VanDerWaalsContact O-N 3.08Å; S2213-D2215 WeakPolarHBondContact OG-CB 3.36Å; S2213-R2219 PolarHBondContact O-NE 2.8Å
2214L65.4Low77.5Confident124 Ų12456.6 Ų56.665%0.64932%0.316SS*.SBendtrans-71.87.3173.1-69.6162.9000112.6M2216L2214-M2216 PolarHBondContact O-N 3.46Å
2215D66.6Low77.2Confident80 Ų8056.8 Ų56.843%0.42832%0.318SS..  trans-69.6115.3-178-160.4-32.9000110.4S2213 T2217 I2218 R2219S2213-D2215 PolarHBondContact O-N 3.47Å; S2213-D2215 VanDerWaalsContact O-N 3.08Å; S2213-D2215 WeakPolarHBondContact OG-CB 3.36Å; D2215-T2217 VanDerWaalsContact CG-OG1 3.3Å; D2215-T2217 PolarHBondContact O-N 3.37Å; D2215-T2217 VanDerWaalsContact O-N 3.11Å; D2215-T2217 PolarHBondContact OD1-N 3.33Å; D2215-T2217 PolarHBondContact OD1-OG1 2.88Å; D2215-I2218 PolarHBondContact O-N 3.12Å; D2215-R2219 PolarHBondContact O-N 3.37Å; D2215-R2219 VanDerWaalsContact O-N 3.15Å
2216M69.2Low76.8Confident161 Ų16153.9 Ų53.979%0.79330%0.297SS*.Hα-helixtrans-60.6-25.4-174.4-158.9176.3-65.300111.7L2214 A2220L2214-M2216 PolarHBondContact O-N 3.46Å; M2216-A2220 WeakPolarHBondContact O-CB 3.45Å; M2216-A2220 PolarHBondContact O-N 3.36Å
2217T70.9Confident76.3Confident83 Ų8358.8 Ų58.851%0.50932%0.315SS..Hα-helixtrans-70.4-45.3179.262.20000113.1D2215 K2221D2215-T2217 VanDerWaalsContact CG-OG1 3.3Å; D2215-T2217 PolarHBondContact O-N 3.37Å; D2215-T2217 VanDerWaalsContact O-N 3.11Å; D2215-T2217 PolarHBondContact OD1-N 3.33Å; D2215-T2217 PolarHBondContact OD1-OG1 2.88Å; T2217-K2221 WeakPolarHBondContact O-CG 3.35Å; T2217-K2221 PolarHBondContact O-N 3.37Å; T2217-K2221 VanDerWaalsContact O-N 3.14Å
2218I69Low75.5Confident55 Ų5557 Ų5728%0.28231%0.306SS..Hα-helixtrans-72.2-43.4178.7-64.5174.2000109.4D2215 A2220 K2221 I2222D2215-I2218 PolarHBondContact O-N 3.12Å; I2218-A2220 VanDerWaalsContact C-N 3.33Å; I2218-A2220 PolarHBondContact O-N 2.95Å; I2218-K2221 PolarHBondContact O-N 3.11Å; I2218-I2222 HydrophobicContact CG2-CD1 3.97Å; I2218-I2222 WeakPolarHBondContact O-CG1 3.43Å; I2218-I2222 PolarHBondContact O-N 3.14Å
2219R75.1Confident74.7Confident11 Ų1159.7 Ų59.74%0.04232%0.322CS..Hα-helixtrans-60.6-40.4175.5-69.5-178.7173-129.7-3.3112.1R2178 T2180 I2212 S2213 D2215 I2222 Q2223R2178-R2219 PolarHBondContact O-NH1 3.4Å; T2180-R2219 PolarHBondContact O-NH1 3.12Å; T2180-R2219 PolarHBondContact O-NH2 3.47Å; I2212-R2219 HydrophobicContact CG2-CG 4.39Å; I2212-R2219 PolarHBondContact O-NH2 2.97Å; S2213-R2219 PolarHBondContact O-NE 2.8Å; D2215-R2219 PolarHBondContact O-N 3.37Å; D2215-R2219 VanDerWaalsContact O-N 3.15Å; R2219-I2222 PolarHBondContact O-N 3.03Å; R2219-Q2223 WeakPolarHBondContact O-CB 3.49Å; R2219-Q2223 WeakPolarHBondContact O-CG 3.5Å; R2219-Q2223 PolarHBondContact O-N 3.25Å
2220A76.8Confident73.7Confident49 Ų4961.9 Ų61.941%0.40534%0.341SS..Hα-helixtrans-64.1-41.5174.600000112.9M2216 I2218 Q2223 S2224M2216-A2220 WeakPolarHBondContact O-CB 3.45Å; M2216-A2220 PolarHBondContact O-N 3.36Å; I2218-A2220 VanDerWaalsContact C-N 3.33Å; I2218-A2220 PolarHBondContact O-N 2.95Å; A2220-Q2223 PolarHBondContact O-N 3.42Å; A2220-S2224 PolarHBondContact O-N 3.38Å; A2220-S2224 PolarHBondContact O-OG 2.93Å
2221K76.6Confident73.1Confident115 Ų11564.1 Ų64.150%0.537%0.368SS..Hα-helixtrans-63.2-41.8174.9-74.2177.5178.8-177.20112.6T2217 I2218 Q2223 S2224 A2225T2217-K2221 WeakPolarHBondContact O-CG 3.35Å; T2217-K2221 PolarHBondContact O-N 3.37Å; T2217-K2221 VanDerWaalsContact O-N 3.14Å; I2218-K2221 PolarHBondContact O-N 3.11Å; K2221-Q2223 VanDerWaalsContact C-N 3.32Å; K2221-S2224 PolarHBondContact O-N 2.97Å; K2221-S2224 PolarHBondContact O-OG 3.35Å; K2221-A2225 VanDerWaalsContact O-CB 3.32Å; K2221-A2225 WeakPolarHBondContact O-CB 3.44Å; K2221-A2225 PolarHBondContact O-N 2.96Å
2222I78.2Confident73Confident4 Ų464 Ų642%0.02136%0.361CS..Hα-helixtrans-62.9-42.2173.2-62.1167.2000109.5L2176 I2212 I2218 R2219 L2226 I2234L2176-I2222 HydrophobicContact CD1-CG2 3.56Å; L2176-I2222 HydrophobicContact CD2-CG2 4.48Å; I2212-I2222 HydrophobicContact CD1-CD1 4.36Å; I2212-I2222 HydrophobicContact CG2-CD1 3.9Å; I2218-I2222 HydrophobicContact CG2-CD1 3.97Å; I2218-I2222 WeakPolarHBondContact O-CG1 3.43Å; I2218-I2222 PolarHBondContact O-N 3.14Å; R2219-I2222 PolarHBondContact O-N 3.03Å; I2222-L2226 HydrophobicContact CG2-CD1 3.71Å; I2222-L2226 HydrophobicContact CG2-CG 4.15Å; I2222-L2226 VanDerWaalsContact O-CB 3.24Å; I2222-L2226 WeakPolarHBondContact O-CB 3.34Å; I2222-L2226 WeakPolarHBondContact O-CG 3.47Å; I2222-L2226 PolarHBondContact O-N 3.14Å; I2222-I2234 HydrophobicContact CB-CD1 4.43Å; I2222-I2234 HydrophobicContact CD1-CG2 4.3Å; I2222-I2234 HydrophobicContact CG1-CD1 4.2Å; I2222-I2234 HydrophobicContact CG1-CG1 4.28Å; I2222-I2234 HydrophobicContact CG1-CG2 3.64Å; I2222-I2234 HydrophobicContact CG2-CD1 4.25Å
2223Q79.7Confident73Confident39 Ų3966.2 Ų66.218%0.18238%0.376CS..Hα-helixtrans-64.8-39.3177.9-72.3169.524.900113.8L2176 R2219 A2220 K2221 R2227L2176-Q2223 HydrophobicContact CB-CG 4.31Å; L2176-Q2223 PolarHBondContact O-NE2 2.85Å; R2219-Q2223 WeakPolarHBondContact O-CB 3.49Å; R2219-Q2223 WeakPolarHBondContact O-CG 3.5Å; R2219-Q2223 PolarHBondContact O-N 3.25Å; A2220-Q2223 PolarHBondContact O-N 3.42Å; K2221-Q2223 VanDerWaalsContact C-N 3.32Å; Q2223-R2227 VanDerWaalsContact O-CG 3.25Å; Q2223-R2227 WeakPolarHBondContact O-CG 3.45Å; Q2223-R2227 PolarHBondContact O-N 2.81Å
2224S80.9Confident73.5Confident19 Ų1964 Ų6413%0.13336%0.361CS..Hα-helixtrans-72.3-41.5176.661.20000112.2A2220 K2221 L2226 R2227 G2228 D2229 H2232A2220-S2224 PolarHBondContact O-N 3.38Å; A2220-S2224 PolarHBondContact O-OG 2.93Å; K2221-S2224 PolarHBondContact O-N 2.97Å; K2221-S2224 PolarHBondContact O-OG 3.35Å; S2224-L2226 VanDerWaalsContact C-N 3.34Å; S2224-L2226 PolarHBondContact O-N 2.74Å; S2224-R2227 WeakPolarHBondContact O-CB 3.45Å; S2224-R2227 PolarHBondContact O-N 3.49Å; S2224-R2227 VanDerWaalsContact O-N 3.12Å; S2224-G2228 PolarHBondContact O-N 3.42Å; S2224-D2229 WeakPolarHBondContact CB-OD2 3.45Å; S2224-D2229 PolarHBondContact O-N 3.44Å; S2224-D2229 VanDerWaalsContact O-N 3.16Å; S2224-H2232 PolarHBondContact OG-CD2 2.99Å; S2224-H2232 VanDerWaalsContact OG-CD2 3.32Å; S2224-H2232 VanDerWaalsContact OG-CG 3.27Å
2225A78.8Confident74.3Confident4 Ų462.5 Ų62.53%0.03335%0.353CS..Hα-helixtrans-56.9-46.3170.100000111.5K2221 R2227 G2228 H2232 I2234 L2292 W2303K2221-A2225 VanDerWaalsContact O-CB 3.32Å; K2221-A2225 WeakPolarHBondContact O-CB 3.44Å; K2221-A2225 PolarHBondContact O-N 2.96Å; A2225-R2227 VanDerWaalsContact C-N 3.29Å; A2225-R2227 PolarHBondContact O-N 3.02Å; A2225-G2228 PolarHBondContact O-N 3.4Å; A2225-G2228 VanDerWaalsContact O-N 3.11Å; A2225-H2232 HydrophobicContact CB-CB 4.4Å; A2225-I2234 HydrophobicContact CB-CD1 3.82Å; A2225-I2234 HydrophobicContact CB-CG1 3.75Å; A2225-L2292 VanDerWaalsContact O-CD2 3.23Å; A2225-L2292 WeakPolarHBondContact O-CD2 3.42Å; A2225-W2303 HydrophobicContact CB-CH2 4.44Å
2226L78.8Confident74.9Confident1 Ų159.3 Ų59.31%0.00534%0.336CS..Hα-helixtrans-65.8-26176.4-73.2173.5000113.8W2162 R2169 M2172 I2173 L2176 I2222 S2224 W2303W2162-L2226 HydrophobicContact CH2-CD2 3.41Å; W2162-L2226 VanDerWaalsContact CH2-CD2 3.41Å; W2162-L2226 HydrophobicContact CZ2-CD2 4.08Å; W2162-L2226 HydrophobicContact CZ3-CD2 4.23Å; R2169-L2226 VanDerWaalsContact CZ-O 3.25Å; R2169-L2226 PolarHBondContact NE-O 3.08Å; R2169-L2226 PolarHBondContact NH2-O 3.35Å; M2172-L2226 HydrophobicContact CG-CD1 3.98Å; M2172-L2226 HydrophobicContact SD-CD1 3.78Å; M2172-L2226 HydrophobicContact SD-CD2 3.5Å; M2172-L2226 VanDerWaalsContact SD-CD2 3.5Å; M2172-L2226 HydrophobicContact SD-CG 4.34Å; I2173-L2226 HydrophobicContact CD1-CB 4.2Å; I2173-L2226 HydrophobicContact CG1-CB 3.96Å; I2173-L2226 HydrophobicContact CG1-CD1 4.11Å; L2176-L2226 HydrophobicContact CD1-CD1 3.34Å; I2222-L2226 HydrophobicContact CG2-CD1 3.71Å; I2222-L2226 HydrophobicContact CG2-CG 4.15Å; I2222-L2226 VanDerWaalsContact O-CB 3.24Å; I2222-L2226 WeakPolarHBondContact O-CB 3.34Å; I2222-L2226 WeakPolarHBondContact O-CG 3.47Å; I2222-L2226 PolarHBondContact O-N 3.14Å; S2224-L2226 VanDerWaalsContact C-N 3.34Å; S2224-L2226 PolarHBondContact O-N 2.74Å; L2226-W2303 HydrophobicContact CD2-CH2 4.4Å; L2226-W2303 HydrophobicContact CD2-CZ2 4.08Å
2227R78.5Confident75.3Confident156 Ų15655.3 Ų55.359%0.58932%0.321SS*.Hα-helixtrans-75.1-27.6172.4-77.3169.8-177.2-1712.2112.5R2169 I2173 Q2223 S2224 A2225R2169-R2227 VanDerWaalsContact NH2-C 3.26Å; R2169-R2227 PolarHBondContact NH2-O 2.97Å; I2173-R2227 HydrophobicContact CD1-CG 4.42Å; Q2223-R2227 VanDerWaalsContact O-CG 3.25Å; Q2223-R2227 WeakPolarHBondContact O-CG 3.45Å; Q2223-R2227 PolarHBondContact O-N 2.81Å; S2224-R2227 WeakPolarHBondContact O-CB 3.45Å; S2224-R2227 PolarHBondContact O-N 3.49Å; S2224-R2227 VanDerWaalsContact O-N 3.12Å; A2225-R2227 VanDerWaalsContact C-N 3.29Å; A2225-R2227 PolarHBondContact O-N 3.02Å
2228G68.4Low75.7Confident27 Ų2753.7 Ų53.728%0.27831%0.308SS..THydrogen-bonded Turntrans101.522.1179.900000113.6S2224 A2225 P2230S2224-G2228 PolarHBondContact O-N 3.42Å; A2225-G2228 PolarHBondContact O-N 3.4Å; A2225-G2228 VanDerWaalsContact O-N 3.11Å; G2228-P2230 VanDerWaalsContact O-CD 3.24Å; G2228-P2230 WeakPolarHBondContact O-CD 3.18Å
2229D69.9Low76.2Confident77 Ų7751.1 Ų51.141%0.41230%0.295SS..  trans-73108.2176.3-64.4-48.4000109.8S2224 G2231 H2232S2224-D2229 WeakPolarHBondContact CB-OD2 3.45Å; S2224-D2229 PolarHBondContact O-N 3.44Å; S2224-D2229 VanDerWaalsContact O-N 3.16Å; D2229-G2231 PolarHBondContact O-N 3Å; D2229-H2232 WeakPolarHBondContact CB-ND1 3.3Å; D2229-H2232 PolarHBondContact O-ND1 3.1Å
2230P65.7Low76.7Confident125 Ų12550.7 Ų50.781%0.81229%0.293SS*.THydrogen-bonded Turntrans-63.7137.8-172.626.6-34.8000111.7G2228G2228-P2230 VanDerWaalsContact O-CD 3.24Å; G2228-P2230 WeakPolarHBondContact O-CD 3.18Å
2231G66.6Low77.2Confident68 Ų6848.3 Ų48.370%0.70127%0.274SS*.THydrogen-bonded Turntrans99.710.817900000116.1D2229 P2233D2229-G2231 PolarHBondContact O-N 3Å; G2231-P2233 WeakPolarHBondContact O-CD 3.15Å
2232H73.9Confident77.4Confident78 Ų7843.1 Ų43.136%0.36125%0.252SS..  trans-10784.4177.5-65.596000113S2224 A2225 D2229S2224-H2232 PolarHBondContact OG-CD2 2.99Å; S2224-H2232 VanDerWaalsContact OG-CD2 3.32Å; S2224-H2232 VanDerWaalsContact OG-CG 3.27Å; A2225-H2232 HydrophobicContact CB-CB 4.4Å; D2229-H2232 WeakPolarHBondContact CB-ND1 3.3Å; D2229-H2232 PolarHBondContact O-ND1 3.1Å
2233P75.6Confident77.8Confident63 Ų6343.1 Ų43.141%0.40925%0.252SS..  trans-69.5135.4173.228.1-34000111.4G2231 L2290 N2291G2231-P2233 WeakPolarHBondContact O-CD 3.15Å; P2233-L2290 WeakPolarHBondContact CA-O 3.17Å; P2233-N2291 WeakPolarHBondContact CA-OD1 3.39Å; P2233-N2291 WeakPolarHBondContact CB-OD1 3.35Å
2234I79.2Confident78.3Confident6 Ų641.2 Ų41.23%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-88.6107.2172.1-52.5172.7000108.1I2222 A2225 I2236 T2289 L2290 W2303I2222-I2234 HydrophobicContact CB-CD1 4.43Å; I2222-I2234 HydrophobicContact CD1-CG2 4.3Å; I2222-I2234 HydrophobicContact CG1-CD1 4.2Å; I2222-I2234 HydrophobicContact CG1-CG1 4.28Å; I2222-I2234 HydrophobicContact CG1-CG2 3.64Å; I2222-I2234 HydrophobicContact CG2-CD1 4.25Å; A2225-I2234 HydrophobicContact CB-CD1 3.82Å; A2225-I2234 HydrophobicContact CB-CG1 3.75Å; I2234-I2236 HydrophobicContact CG2-CD1 3.98Å; I2234-I2236 HydrophobicContact CG2-CG1 3.88Å; I2234-T2289 WeakPolarHBondContact O-CA 3.29Å; I2234-L2290 HydrophobicContact CB-CB 4.25Å; I2234-L2290 PolarHBondContact N-O 2.88Å; I2234-L2290 PolarHBondContact O-N 2.81Å; I2234-W2303 HydrophobicContact CD1-CH2 3.72Å; I2234-W2303 HydrophobicContact CD1-CZ3 3.65Å; I2234-W2303 HydrophobicContact CG1-CZ3 4.5Å
2235L82.1Confident78.7Confident92 Ų9242 Ų4248%0.48225%0.245SC..EExtended strand (participates in β ladder)trans-90.5124.2172176.266.9000110.1T2289L2235-T2289 HydrophobicContact CB-CG2 4.42Å; L2235-T2289 HydrophobicContact CD1-CG2 3.55Å
2236I79.6Confident79.1Confident13 Ų1342 Ų427%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-123.7101.8177.5-58.3178.2000108.5F2184 V2210 I2234 S2239 L2288F2184-I2236 HydrophobicContact CD1-CD1 3.9Å; F2184-I2236 HydrophobicContact CD1-CG2 4.05Å; F2184-I2236 HydrophobicContact CD2-CD1 3.41Å; F2184-I2236 VanDerWaalsContact CD2-CD1 3.41Å; F2184-I2236 HydrophobicContact CE1-CD1 3.74Å; F2184-I2236 HydrophobicContact CE1-CG2 4.24Å; F2184-I2236 HydrophobicContact CE2-CD1 3.25Å; F2184-I2236 HydrophobicContact CG-CD1 3.72Å; F2184-I2236 HydrophobicContact CZ-CD1 3.39Å; V2210-I2236 HydrophobicContact CG1-CG2 4.16Å; I2234-I2236 HydrophobicContact CG2-CD1 3.98Å; I2234-I2236 HydrophobicContact CG2-CG1 3.88Å; I2236-S2239 PolarHBondContact O-OG 2.97Å; I2236-L2288 PolarHBondContact N-O 3.42Å; I2236-L2288 PolarHBondContact O-N 2.69Å
2237P77.5Confident79.3Confident76 Ų7642.6 Ų42.649%0.49425%0.248SC..EExtended strand (participates in β ladder)trans-66.1150.7-177.428.4-34.8000111.9S2239P2237-S2239 PolarHBondContact O-N 3.44Å
2238Q78.8Confident79Confident50 Ų5037 Ų3723%0.23423%0.23CC..EExtended strand (participates in β ladder)trans54.546.5166.4-61.8172.1-19.500114.6R2282 F2285 D2286Q2238-R2282 HydrophobicContact CB-CB 4.34Å; Q2238-F2285 HydrophobicContact CB-CB 4.32Å; Q2238-D2286 CarbonylContact C-O 3.59Å; Q2238-D2286 WeakPolarHBondContact CA-O 3.3Å; Q2238-D2286 PolarHBondContact N-O 2.98Å
2239S79.8Confident79.1Confident0 Ų040.9 Ų40.90%024%0.241CC..EExtended strand (participates in β ladder)trans-110.4-23-168.248.20000115.7I2236 P2237 D2286 L2288I2236-S2239 PolarHBondContact O-OG 2.97Å; P2237-S2239 PolarHBondContact O-N 3.44Å; S2239-D2286 PolarHBondContact N-O 2.9Å; S2239-L2288 WeakPolarHBondContact OG-CB 3.37Å
2240I85.8Confident79.3Confident2 Ų239.4 Ų39.41%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-133.4129.4177.9-168.8172.7000112L2079 V2186 F2285 D2286 L2288 L2332 V2334L2079-I2240 HydrophobicContact CD1-CD1 4.08Å; L2079-I2240 HydrophobicContact CD2-CD1 3.82Å; V2186-I2240 HydrophobicContact CG1-CB 4.48Å; V2186-I2240 HydrophobicContact CG1-CG1 4.38Å; I2240-F2285 WeakPolarHBondContact O-CB 3.43Å; I2240-D2286 HydrophobicContact CG2-CB 3.83Å; I2240-D2286 PolarHBondContact O-N 3.46Å; I2240-L2288 HydrophobicContact CG2-CD1 4.35Å; I2240-L2332 HydrophobicContact CD1-CD1 4.4Å; I2240-L2332 HydrophobicContact CD1-CD2 4.5Å; I2240-V2334 HydrophobicContact CD1-CG2 4.04Å; I2240-V2334 HydrophobicContact CG1-CG2 4.45Å
2241P85.9Confident80.1Confident0 Ų039.4 Ų39.40%023%0.233CC..  trans-81.2126.1-179.928.7-31.6000112.5W2208 F2243 I2244 L2254 W2284 F2285W2208-P2241 HydrophobicContact CD2-CG 4.43Å; W2208-P2241 HydrophobicContact CH2-CG 3.79Å; W2208-P2241 HydrophobicContact CZ2-CG 3.54Å; W2208-P2241 HydrophobicContact CZ3-CG 4.29Å; P2241-F2243 VanDerWaalsContact C-N 3.29Å; P2241-F2243 PolarHBondContact O-N 3.48Å; P2241-I2244 HydrophobicContact CB-CG1 4.38Å; P2241-I2244 HydrophobicContact CG-CD1 3.94Å; P2241-I2244 HydrophobicContact CG-CG1 4Å; P2241-L2254 HydrophobicContact CB-CD2 3.73Å; P2241-L2254 HydrophobicContact CG-CD2 3.95Å; P2241-W2284 HydrophobicContact CB-CH2 4.18Å; P2241-W2284 HydrophobicContact CB-CZ3 4.46Å; P2241-F2285 HydrophobicContact CB-CD1 3.88Å; P2241-F2285 HydrophobicContact CB-CD2 4.4Å; P2241-F2285 HydrophobicContact CB-CE1 3.77Å; P2241-F2285 HydrophobicContact CB-CE2 4.28Å; P2241-F2285 HydrophobicContact CB-CG 4.21Å; P2241-F2285 HydrophobicContact CB-CZ 3.99Å; P2241-F2285 HydrophobicContact CG-CE2 4.4Å; P2241-F2285 HydrophobicContact CG-CZ 4.36Å
2242A80.8Confident81Confident5 Ų536.2 Ų36.24%0.04120%0.2CC..SBendtrans-68.1-22.4178.300000114.5W2318 V2335A2242-W2318 HydrophobicContact CB-CE3 4.38Å; A2242-W2318 HydrophobicContact CB-CZ3 3.91Å; A2242-V2335 WeakPolarHBondContact O-CB 3.39Å; A2242-V2335 PolarHBondContact O-N 3.49Å
2243F88.2Confident81.6Confident4 Ų435 Ų352%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-129.1131-179.6-62.1-77.5000111.1L2115 P2241 P2255 I2258 I2262 W2284 W2318 V2335 F2337L2115-F2243 HydrophobicContact CD1-CZ 4.26Å; L2115-F2243 HydrophobicContact CD2-CE1 4.36Å; P2241-F2243 VanDerWaalsContact C-N 3.29Å; P2241-F2243 PolarHBondContact O-N 3.48Å; F2243-P2255 HydrophobicContact CB-CG 3.69Å; F2243-P2255 VanDerWaalsContact O-CD 3.31Å; F2243-P2255 WeakPolarHBondContact O-CD 3.48Å; F2243-I2258 HydrophobicContact CD2-CG2 4.2Å; F2243-I2258 HydrophobicContact CE2-CG2 4.33Å; F2243-I2262 HydrophobicContact CD2-CD1 4.2Å; F2243-I2262 HydrophobicContact CE2-CD1 4.03Å; F2243-W2284 HydrophobicContact CB-CH2 4.31Å; F2243-W2284 HydrophobicContact CB-CZ3 3.91Å; F2243-W2284 HydrophobicContact CD2-CE3 4.46Å; F2243-W2284 HydrophobicContact CD2-CZ3 4.03Å; F2243-W2284 HydrophobicContact CG-CZ3 4.49Å; F2243-W2284 WeakPolarHBondContact O-CH2 3.41Å; F2243-W2318 HydrophobicContact CD2-CZ3 4.34Å; F2243-W2318 HydrophobicContact CE2-CE3 4.02Å; F2243-W2318 AromaticContact CE2-CZ3 3.79Å; F2243-W2318 HydrophobicContact CE2-CZ3 3.79Å; F2243-V2335 CarbonylContact C-O 3.58Å; F2243-V2335 WeakPolarHBondContact CA-O 3.36Å; F2243-V2335 HydrophobicContact CD1-CB 3.77Å; F2243-V2335 HydrophobicContact CD1-CG1 4.04Å; F2243-V2335 HydrophobicContact CD1-CG2 4.23Å; F2243-V2335 HydrophobicContact CE1-CB 4.19Å; F2243-V2335 HydrophobicContact CE1-CG1 4.33Å; F2243-V2335 HydrophobicContact CE1-CG2 4.19Å; F2243-F2337 HydrophobicContact CB-CE2 4.28Å; F2243-F2337 AromaticContact CD1-CE2 3.97Å; F2243-F2337 HydrophobicContact CD1-CE2 3.97Å; F2243-F2337 HydrophobicContact CD1-CZ 4.33Å
2244I90.1Very high82Confident0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-140.1145.2-174.2-55-177.9000109.4L2188 W2208 P2241 L2252 V2334 V2335 G2336 F2337L2188-I2244 HydrophobicContact CD2-CD1 3.23Å; W2208-I2244 HydrophobicContact CH2-CD1 3.99Å; P2241-I2244 HydrophobicContact CB-CG1 4.38Å; P2241-I2244 HydrophobicContact CG-CD1 3.94Å; P2241-I2244 HydrophobicContact CG-CG1 4Å; I2244-L2252 HydrophobicContact CG2-CB 3.95Å; I2244-L2252 HydrophobicContact CG2-CD1 4.37Å; I2244-L2252 HydrophobicContact CG2-CD2 4.31Å; I2244-L2252 HydrophobicContact CG2-CG 4.44Å; I2244-V2334 HydrophobicContact CD1-CG1 3.51Å; I2244-V2334 HydrophobicContact CG1-CG1 3.98Å; I2244-V2335 PolarHBondContact N-O 3.3Å; I2244-G2336 CarbonylContact O-C 3.58Å; I2244-G2336 WeakPolarHBondContact O-CA 3.47Å; I2244-F2337 WeakPolarHBondContact O-CD2 3.5Å; I2244-F2337 PolarHBondContact O-N 2.63Å
2245Q89.3Confident82.3Confident35 Ų3534 Ų3416%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-106.9136.7168.3177.8-165.413.600110.1Y2144 P2247 T2253 F2337 D2339Y2144-Q2245 PolarHBondContact OH-NE2 2.97Å; Y2144-Q2245 VanDerWaalsContact OH-NE2 3.11Å; Q2245-P2247 WeakPolarHBondContact O-CD 3.36Å; Q2245-T2253 VanDerWaalsContact CB-OG1 3.3Å; Q2245-T2253 WeakPolarHBondContact CB-OG1 3.21Å; Q2245-T2253 VanDerWaalsContact CD-OG1 3.29Å; Q2245-T2253 WeakPolarHBondContact CG-OG1 3.42Å; Q2245-T2253 PolarHBondContact N-O 2.68Å; Q2245-T2253 PolarHBondContact O-N 3.12Å; Q2245-T2253 PolarHBondContact O-OG1 3.08Å; Q2245-T2253 PolarHBondContact OE1-OG1 3.25Å; Q2245-F2337 CarbonylContact C-O 3.52Å; Q2245-F2337 WeakPolarHBondContact CA-O 3.44Å; Q2245-F2337 HydrophobicContact CB-CB 4.4Å; Q2245-D2339 PolarHBondContact NE2-OD1 3.37Å
2246V87Confident82.2Confident4 Ų434.3 Ų34.32%0.02420%0.195CC..EExtended strand (participates in β ladder)trans-107.393177.2-166.60000107.8F2190 R2192 H2204 L2252 F2337 D2339F2190-V2246 HydrophobicContact CB-CG1 4.41Å; F2190-V2246 HydrophobicContact CD1-CG2 4.04Å; F2190-V2246 HydrophobicContact CD2-CG2 4.16Å; F2190-V2246 HydrophobicContact CE1-CG2 4.02Å; F2190-V2246 HydrophobicContact CE2-CG2 4.11Å; F2190-V2246 HydrophobicContact CG-CG2 4.12Å; F2190-V2246 HydrophobicContact CZ-CG2 4.05Å; R2192-V2246 PolarHBondContact NH2-O 3.04Å; H2204-V2246 HydrophobicContact CB-CG1 4.09Å; V2246-L2252 HydrophobicContact CB-CD2 4.3Å; V2246-L2252 HydrophobicContact CG1-CD2 4.06Å; V2246-L2252 HydrophobicContact CG2-CD2 4.01Å; V2246-F2337 PolarHBondContact N-O 3.24Å; V2246-D2339 PolarHBondContact O-N 3.14Å
2247P82.6Confident82.3Confident14 Ų1434.5 Ų34.59%0.09120%0.197CC..  trans-69.9164.9-177.129.1-35.2000112.1R2192 H2204 Q2245 Q2249 E2251 D2339R2192-P2247 PolarHBondContact NH2-O 3.47Å; H2204-P2247 PolarHBondContact CE1-O 2.85Å; H2204-P2247 PolarHBondContact ND1-O 3.05Å; H2204-P2247 PolarHBondContact NE2-O 2.94Å; Q2245-P2247 WeakPolarHBondContact O-CD 3.36Å; P2247-Q2249 VanDerWaalsContact C-N 3.34Å; P2247-Q2249 PolarHBondContact O-N 3.48Å; P2247-E2251 WeakPolarHBondContact CD-O 3.42Å; P2247-E2251 WeakPolarHBondContact CG-O 3.44Å; P2247-D2339 WeakPolarHBondContact CA-OD2 3.46Å
2248N72.2Confident82.5Confident37 Ų3731 Ų3120%0.19817%0.174CC..SBendtrans-63.8-35.6176.4-78-38000113.9D2339 R2340 A2341N2248-D2339 HydrophobicContact CB-CB 4.49Å; N2248-D2339 PolarHBondContact N-OD2 2.62Å; N2248-D2339 PolarHBondContact OD1-O 3.33Å; N2248-R2340 PolarHBondContact ND2-O 3.5Å; N2248-R2340 PolarHBondContact OD1-O 2.96Å; N2248-A2341 WeakPolarHBondContact OD1-CA 3.17Å; N2248-A2341 PolarHBondContact OD1-N 2.95Å
2249Q70.5Confident82.5Confident110 Ų11028.6 Ų28.651%0.51416%0.164SC..SBendtrans-142.7129.6-180-60-166.8-46.500108.3N2199 P2247N2199-Q2249 PolarHBondContact O-NE2 3.03Å; P2247-Q2249 VanDerWaalsContact C-N 3.34Å; P2247-Q2249 PolarHBondContact O-N 3.48Å
2250G74.9Confident82.5Confident46 Ų4632 Ų3247%0.47418%0.182SC..SBendtrans113-178.7-179.600000114.7H2204H2204-G2250 PolarHBondContact ND1-O 2.65Å
2251E82.1Confident82.2Confident124 Ų12432 Ų3258%0.57918%0.182SC*.SBendtrans-66.8165.2175.8-62.6176.2-163.600112.8K2206 P2247 T2253K2206-E2251 IonicContact NZ-OE2 3.82Å; K2206-E2251 PolarHBondContact NZ-OE2 2.98Å; P2247-E2251 WeakPolarHBondContact CD-O 3.42Å; P2247-E2251 WeakPolarHBondContact CG-O 3.44Å; E2251-T2253 PolarHBondContact O-N 2.88Å
2252L85.4Confident81.8Confident1 Ų132.2 Ų32.21%0.00518%0.183CC..  trans-59.5136.6171.5-55.8172.3000111.4L2188 F2190 H2204 K2206 I2244 V2246L2188-L2252 HydrophobicContact CB-CD1 4.38Å; L2188-L2252 HydrophobicContact CD2-CD1 4.22Å; L2188-L2252 HydrophobicContact CG-CD1 4.28Å; F2190-L2252 HydrophobicContact CD2-CD1 3.82Å; F2190-L2252 HydrophobicContact CD2-CD2 3.58Å; F2190-L2252 HydrophobicContact CD2-CG 4.35Å; F2190-L2252 HydrophobicContact CE2-CD1 4.03Å; F2190-L2252 HydrophobicContact CE2-CD2 4.03Å; F2190-L2252 HydrophobicContact CG-CD2 4.41Å; H2204-L2252 HydrophobicContact CB-CD2 3.7Å; H2204-L2252 HydrophobicContact CB-CG 4.33Å; K2206-L2252 HydrophobicContact CB-CB 4.01Å; K2206-L2252 HydrophobicContact CB-CD1 4.08Å; K2206-L2252 HydrophobicContact CB-CG 4.31Å; K2206-L2252 HydrophobicContact CD-CB 4.29Å; K2206-L2252 VanDerWaalsContact CD-O 3.3Å; K2206-L2252 WeakPolarHBondContact CD-O 3.32Å; K2206-L2252 WeakPolarHBondContact CE-O 3.49Å; K2206-L2252 PolarHBondContact NZ-O 2.81Å; I2244-L2252 HydrophobicContact CG2-CB 3.95Å; I2244-L2252 HydrophobicContact CG2-CD1 4.37Å; I2244-L2252 HydrophobicContact CG2-CD2 4.31Å; I2244-L2252 HydrophobicContact CG2-CG 4.44Å; V2246-L2252 HydrophobicContact CB-CD2 4.3Å; V2246-L2252 HydrophobicContact CG1-CD2 4.06Å; V2246-L2252 HydrophobicContact CG2-CD2 4.01Å
2253T86.4Confident81.6Confident53 Ų5332.7 Ų32.733%0.32519%0.185SC..BIsolated β-bridgetrans-108.2158.6177.4440000110.9Q2245 E2251Q2245-T2253 VanDerWaalsContact CB-OG1 3.3Å; Q2245-T2253 WeakPolarHBondContact CB-OG1 3.21Å; Q2245-T2253 VanDerWaalsContact CD-OG1 3.29Å; Q2245-T2253 WeakPolarHBondContact CG-OG1 3.42Å; Q2245-T2253 PolarHBondContact N-O 2.68Å; Q2245-T2253 PolarHBondContact O-N 3.12Å; Q2245-T2253 PolarHBondContact O-OG1 3.08Å; Q2245-T2253 PolarHBondContact OE1-OG1 3.25Å; E2251-T2253 PolarHBondContact O-N 2.88Å
2254L84.5Confident81Confident47 Ų4735.5 Ų35.525%0.24620%0.2CC..  trans-104.6133.6176.5-66168.9000108.9W2208 P2241 T2256 W2284 F2285W2208-L2254 HydrophobicContact CZ2-CD2 4.46Å; P2241-L2254 HydrophobicContact CB-CD2 3.73Å; P2241-L2254 HydrophobicContact CG-CD2 3.95Å; L2254-T2256 VanDerWaalsContact C-N 3.29Å; L2254-T2256 PolarHBondContact O-N 3.49Å; L2254-W2284 HydrophobicContact CB-CZ2 4.3Å; L2254-W2284 HydrophobicContact CD2-CH2 4.13Å; L2254-W2284 HydrophobicContact CD2-CZ2 4.16Å; L2254-F2285 HydrophobicContact CD1-CE1 4.14Å; L2254-F2285 HydrophobicContact CD1-CZ 3.83Å; L2254-F2285 HydrophobicContact CD2-CE1 4.36Å; L2254-F2285 HydrophobicContact CD2-CZ 4.31Å
2255P84.8Confident80.2Confident2 Ų236 Ų361%0.01320%0.203CC..  trans-74.181.4179.229.7-33.4000110.6Y2140 F2243 S2257 I2258 G2259 F2337Y2140-P2255 HydrophobicContact CE1-CB 3.73Å; F2243-P2255 HydrophobicContact CB-CG 3.69Å; F2243-P2255 VanDerWaalsContact O-CD 3.31Å; F2243-P2255 WeakPolarHBondContact O-CD 3.48Å; P2255-S2257 PolarHBondContact O-N 3.36Å; P2255-I2258 HydrophobicContact CB-CB 4.35Å; P2255-I2258 HydrophobicContact CB-CD1 4.1Å; P2255-I2258 HydrophobicContact CB-CG1 4.32Å; P2255-I2258 HydrophobicContact CG-CD1 4.39Å; P2255-I2258 PolarHBondContact O-N 2.95Å; P2255-I2258 VanDerWaalsContact O-N 3.1Å; P2255-G2259 PolarHBondContact O-N 3.23Å; P2255-F2337 HydrophobicContact CG-CD2 4.47Å; P2255-F2337 HydrophobicContact CG-CE2 4.31Å
2256T80Confident78.9Confident98 Ų9834.7 Ų34.760%0.60120%0.198SC*.Hα-helixtrans-62.2-24.2-173.557.10000113.8L2254 N2260L2254-T2256 VanDerWaalsContact C-N 3.29Å; L2254-T2256 PolarHBondContact O-N 3.49Å; T2256-N2260 WeakPolarHBondContact O-CB 3.32Å; T2256-N2260 PolarHBondContact O-N 3.15Å; T2256-N2260 PolarHBondContact O-ND2 3.09Å
2257S81.8Confident77.7Confident16 Ų1641.7 Ų41.711%0.11224%0.235CC..Hα-helixtrans-57-57.9169.345.10000111.2S2137 Y2140 P2255 N2260 T2261S2137-S2257 PolarHBondContact OG-O 3.06Å; Y2140-S2257 VanDerWaalsContact CG-OG 3.31Å; P2255-S2257 PolarHBondContact O-N 3.36Å; S2257-N2260 PolarHBondContact O-N 2.91Å; S2257-T2261 PolarHBondContact O-N 3.16Å; S2257-T2261 PolarHBondContact O-OG1 3.46Å
2258I82Confident76.7Confident2 Ų244.2 Ų44.21%0.0125%0.252CS..Hα-helixtrans-59.8-53.9178.8-59.7179.3000109.4L2119 S2137 Y2140 F2243 P2255 N2260 T2261 I2262 F2337L2119-I2258 HydrophobicContact CD1-CG1 4.49Å; S2137-I2258 WeakPolarHBondContact OG-CA 3.42Å; S2137-I2258 PolarHBondContact OG-N 3.4Å; Y2140-I2258 HydrophobicContact CD1-CD1 3.95Å; Y2140-I2258 HydrophobicContact CD1-CG1 4.25Å; Y2140-I2258 HydrophobicContact CE1-CD1 4.15Å; F2243-I2258 HydrophobicContact CD2-CG2 4.2Å; F2243-I2258 HydrophobicContact CE2-CG2 4.33Å; P2255-I2258 HydrophobicContact CB-CB 4.35Å; P2255-I2258 HydrophobicContact CB-CD1 4.1Å; P2255-I2258 HydrophobicContact CB-CG1 4.32Å; P2255-I2258 HydrophobicContact CG-CD1 4.39Å; P2255-I2258 PolarHBondContact O-N 2.95Å; P2255-I2258 VanDerWaalsContact O-N 3.1Å; I2258-N2260 PolarHBondContact O-N 3.1Å; I2258-T2261 WeakPolarHBondContact O-CA 3.47Å; I2258-T2261 WeakPolarHBondContact O-CB 3.4Å; I2258-T2261 PolarHBondContact O-N 2.89Å; I2258-I2262 HydrophobicContact CG2-CD1 3.88Å; I2258-I2262 HydrophobicContact CG2-CG1 4.36Å; I2258-I2262 WeakPolarHBondContact O-CG1 3.41Å; I2258-I2262 PolarHBondContact O-N 2.91Å; I2258-F2337 HydrophobicContact CD1-CE2 3.9Å; I2258-F2337 HydrophobicContact CD1-CZ 3.67Å
2259G78.8Confident76.2Confident1 Ų149.1 Ų49.11%0.0127%0.268CS..Hα-helixtrans-54.7-45.8179.500000113.5P2255 T2261 I2262 I2263P2255-G2259 PolarHBondContact O-N 3.23Å; G2259-T2261 PolarHBondContact O-N 2.72Å; G2259-I2262 PolarHBondContact O-N 2.94Å; G2259-I2263 WeakPolarHBondContact O-CD1 3.44Å; G2259-I2263 VanDerWaalsContact O-CG1 3.27Å; G2259-I2263 WeakPolarHBondContact O-CG1 3.35Å; G2259-I2263 PolarHBondContact O-N 3.41Å
2260N80.1Confident76.2Confident72 Ų7245.5 Ų45.539%0.38525%0.251SS..Hα-helixtrans-62.6-30.3176.6-79.2-43.6000113.2T2256 S2257 I2258 N2264T2256-N2260 WeakPolarHBondContact O-CB 3.32Å; T2256-N2260 PolarHBondContact O-N 3.15Å; T2256-N2260 PolarHBondContact O-ND2 3.09Å; S2257-N2260 PolarHBondContact O-N 2.91Å; I2258-N2260 PolarHBondContact O-N 3.1Å; N2260-N2264 WeakPolarHBondContact O-CB 3.47Å; N2260-N2264 PolarHBondContact O-N 3.26Å; N2260-N2264 PolarHBondContact O-ND2 2.99Å
2261T79.9Confident75.8Confident1 Ų149.4 Ų49.41%0.00626%0.261CS..Hα-helixtrans-75.6-41.5175.8-49.10000110.7L2119 S2122 R2133 S2137 S2257 I2258 G2259 D2265 G2266L2119-T2261 HydrophobicContact CD2-CG2 4.28Å; S2122-T2261 WeakPolarHBondContact OG-CG2 3.16Å; R2133-T2261 PolarHBondContact O-OG1 3.17Å; S2137-T2261 PolarHBondContact OG-OG1 2.9Å; S2257-T2261 PolarHBondContact O-N 3.16Å; S2257-T2261 PolarHBondContact O-OG1 3.46Å; I2258-T2261 WeakPolarHBondContact O-CA 3.47Å; I2258-T2261 WeakPolarHBondContact O-CB 3.4Å; I2258-T2261 PolarHBondContact O-N 2.89Å; G2259-T2261 PolarHBondContact O-N 2.72Å; T2261-D2265 HydrophobicContact CG2-CB 4.25Å; T2261-D2265 CarbonylContact O-C 3.58Å; T2261-D2265 WeakPolarHBondContact O-CA 3.43Å; T2261-D2265 WeakPolarHBondContact O-CB 3.39Å; T2261-D2265 PolarHBondContact O-N 2.94Å; T2261-G2266 PolarHBondContact O-N 3.42Å; T2261-G2266 VanDerWaalsContact O-N 3.11Å
2262I77.7Confident75.1Confident4 Ų445 Ų452%0.02124%0.243CC..Hα-helixtrans-57.8-50.9174.4-60.9168.4000110.6F2243 I2258 G2259 G2266 I2270 W2284 L2317 W2318F2243-I2262 HydrophobicContact CD2-CD1 4.2Å; F2243-I2262 HydrophobicContact CE2-CD1 4.03Å; I2258-I2262 HydrophobicContact CG2-CD1 3.88Å; I2258-I2262 HydrophobicContact CG2-CG1 4.36Å; I2258-I2262 WeakPolarHBondContact O-CG1 3.41Å; I2258-I2262 PolarHBondContact O-N 2.91Å; G2259-I2262 PolarHBondContact O-N 2.94Å; I2262-G2266 WeakPolarHBondContact O-CA 3.39Å; I2262-G2266 PolarHBondContact O-N 3.01Å; I2262-I2270 HydrophobicContact CG2-CD1 4.14Å; I2262-W2284 HydrophobicContact CB-CB 4.27Å; I2262-W2284 HydrophobicContact CD1-CE3 4.13Å; I2262-W2284 HydrophobicContact CG2-CB 3.84Å; I2262-L2317 HydrophobicContact CB-CD2 4.41Å; I2262-L2317 HydrophobicContact CG1-CD2 3.95Å; I2262-L2317 HydrophobicContact CG1-CG 4.32Å; I2262-L2317 HydrophobicContact CG2-CD2 4.19Å; I2262-W2318 HydrophobicContact CD1-CH2 4.09Å; I2262-W2318 HydrophobicContact CD1-CZ3 4.22Å; I2262-W2318 HydrophobicContact CG2-CH2 4.17Å; I2262-W2318 HydrophobicContact CG2-CZ2 4.2Å
2263I76.3Confident74Confident16 Ų1651 Ų518%0.08228%0.28CS..Hα-helixtrans-60.7-51.9-177-64160.5000111.9G2259 T2272 E2280 A2283 W2284G2259-I2263 WeakPolarHBondContact O-CD1 3.44Å; G2259-I2263 VanDerWaalsContact O-CG1 3.27Å; G2259-I2263 WeakPolarHBondContact O-CG1 3.35Å; G2259-I2263 PolarHBondContact O-N 3.41Å; I2263-T2272 HydrophobicContact CG2-CG2 3.66Å; I2263-E2280 WeakPolarHBondContact CD1-O 3.45Å; I2263-A2283 HydrophobicContact CG1-CB 4.38Å; I2263-W2284 HydrophobicContact CG1-CB 4.37Å
2264N75.8Confident73Confident62 Ų6252.6 Ų52.633%0.33231%0.307SS..Hα-helixtrans-92.5-33.7-166.6-66.3-87.1000113.9N2260 R2269N2260-N2264 WeakPolarHBondContact O-CB 3.47Å; N2260-N2264 PolarHBondContact O-N 3.26Å; N2260-N2264 PolarHBondContact O-ND2 2.99Å; N2264-R2269 PolarHBondContact O-NE 3.32Å; N2264-R2269 PolarHBondContact O-NH2 3.31Å
2265D71.6Confident72.2Confident12 Ų1253.2 Ų53.26%0.06431%0.309CS..Hα-helixtrans-120.1-4.1-169.4-55-50.3000113.3S2122 S2130 R2133 T2261S2122-D2265 WeakPolarHBondContact O-CB 3.36Å; S2130-D2265 WeakPolarHBondContact CA-OD2 3.3Å; S2130-D2265 WeakPolarHBondContact CB-OD1 3.18Å; S2130-D2265 WeakPolarHBondContact CB-OD2 3.33Å; R2133-D2265 IonicContact CZ-OD1 2.59Å; R2133-D2265 IonicContact CZ-OD2 3.38Å; R2133-D2265 IonicContact NE-OD1 3.86Å; R2133-D2265 IonicContact NE-OD2 2.72Å; R2133-D2265 PolarHBondContact NE-OD2 2.97Å; R2133-D2265 IonicContact NH2-OD1 2.87Å; R2133-D2265 PolarHBondContact NH2-OD1 2.71Å; R2133-D2265 IonicContact NH2-OD2 3.1Å; R2133-D2265 PolarHBondContact NH2-OD2 2.77Å; R2133-D2265 VanDerWaalsContact NH2-OD2 3.15Å; T2261-D2265 HydrophobicContact CG2-CB 4.25Å; T2261-D2265 CarbonylContact O-C 3.58Å; T2261-D2265 WeakPolarHBondContact O-CA 3.43Å; T2261-D2265 WeakPolarHBondContact O-CB 3.39Å; T2261-D2265 PolarHBondContact O-N 2.94Å
2266G63.4Low71.5Confident7 Ų759.9 Ų59.97%0.07234%0.34CS..SBendtrans-63160.5168.900000112.8T2261 I2262 P2268 R2269T2261-G2266 PolarHBondContact O-N 3.42Å; T2261-G2266 VanDerWaalsContact O-N 3.11Å; I2262-G2266 WeakPolarHBondContact O-CA 3.39Å; I2262-G2266 PolarHBondContact O-N 3.01Å; G2266-P2268 CarbonylContact C-O 3.54Å; G2266-P2268 CarbonylContact O-C 3.54Å; G2266-R2269 WeakPolarHBondContact O-CG 3.45Å; G2266-R2269 PolarHBondContact O-N 2.84Å
2267N61.2Low70.8Confident150 Ų15063.8 Ų63.880%0.80235%0.349SS*.SBendtrans-137.9112.8178.4-166.222.5000109.1
2268P61.9Low70Confident67 Ų6765.6 Ų65.644%0.43536%0.362SS..SBendcis-63.1148.71.828.7-36.3000113.1G2266G2266-P2268 CarbonylContact C-O 3.54Å; G2266-P2268 CarbonylContact O-C 3.54Å
2269R62.2Low69.4Low141 Ų14167.6 Ų67.653%0.53237%0.372SS..PPolyproline II helixtrans-71.2141.7170.5-79.4-176.4165.1158.80.6110.1T2124 N2264 G2266T2124-R2269 PolarHBondContact OG1-NH2 2.95Å; N2264-R2269 PolarHBondContact O-NE 3.32Å; N2264-R2269 PolarHBondContact O-NH2 3.31Å; G2266-R2269 WeakPolarHBondContact O-CG 3.45Å; G2266-R2269 PolarHBondContact O-N 2.84Å
2270I69.1Low69.1Low33 Ų3371.1 Ų71.117%0.16939%0.389CS..PPolyproline II helixtrans-86.1119.2178.7-50.9-178.5000108.3I2262 T2272 A2283 W2284 P2310I2262-I2270 HydrophobicContact CG2-CD1 4.14Å; I2270-T2272 PolarHBondContact O-N 3.49Å; I2270-A2283 WeakPolarHBondContact CD1-O 3.2Å; I2270-A2283 HydrophobicContact CG2-CB 4.08Å; I2270-W2284 HydrophobicContact CD1-CB 4.36Å; I2270-P2310 HydrophobicContact CD1-CB 4.35Å; I2270-P2310 HydrophobicContact CD1-CG 4.34Å
2271N67.6Low68.6Low128 Ų12870.2 Ų70.268%0.68439%0.391SS*.  trans-73.293.5-179.8-81.6-13.7000110.9T2273N2271-T2273 PolarHBondContact O-N 3.22Å
2272T67.1Low68.3Low32 Ų3272.7 Ų72.720%0.19640%0.4CS..  trans-80.1-0.2173.856.70000114.1I2263 I2270 G2274 M2275 E2280 A2283I2263-T2272 HydrophobicContact CG2-CG2 3.66Å; I2270-T2272 PolarHBondContact O-N 3.49Å; T2272-G2274 PolarHBondContact O-N 3.02Å; T2272-M2275 HydrophobicContact CG2-SD 4.24Å; T2272-M2275 PolarHBondContact O-N 3.39Å; T2272-E2280 HydrophobicContact CG2-CG 4.49Å; T2272-A2283 HydrophobicContact CG2-CB 4.09Å
2273T62.5Low68.2Low127 Ų12772.5 Ų72.578%0.77940%0.399SS*.THydrogen-bonded Turntrans-63.696-176.252.10000112N2271N2271-T2273 PolarHBondContact O-N 3.22Å
2274G64.9Low68.4Low86 Ų8672.1 Ų72.189%0.88740%0.397SS*.THydrogen-bonded Turntrans113.91.5-178.700000115.2T2272T2272-G2274 PolarHBondContact O-N 3.02Å
2275M68.1Low68.9Low61 Ų6169.4 Ų69.430%0.338%0.382SS..  trans-80.9148.4173-68.2179.8-178.500111.6T2272 D2279 E2280 A2283T2272-M2275 HydrophobicContact CG2-SD 4.24Å; T2272-M2275 PolarHBondContact O-N 3.39Å; M2275-D2279 HydrophobicContact CB-CB 4.1Å; M2275-D2279 HydrophobicContact CG-CB 4.44Å; M2275-E2280 HydrophobicContact CB-CG 4.04Å; M2275-A2283 HydrophobicContact SD-CB 4.08Å
2276E68.6Low69.4Low142 Ų14269 Ų6966%0.66438%0.379SS*.  trans-74161.2164.6-66.5-156.6140.400110.6S2278 D2279 E2280E2276-S2278 PolarHBondContact O-N 3.4Å; E2276-S2278 VanDerWaalsContact O-N 3.11Å; E2276-D2279 CarbonylContact O-C 3.6Å; E2276-D2279 WeakPolarHBondContact O-CA 3.26Å; E2276-D2279 PolarHBondContact O-N 2.96Å; E2276-E2280 PolarHBondContact O-N 2.9Å
2277K66.2Low70.4Confident179 Ų17969.7 Ų69.778%0.77838%0.383SS*.Hα-helixtrans-58.5-27.3-179-70.6-179.4176.4177.10114.1D2279 A2281K2277-D2279 VanDerWaalsContact C-N 3.28Å; K2277-A2281 PolarHBondContact O-N 3.34Å
2278S65.8Low71.6Confident55 Ų5562.5 Ų62.539%0.38535%0.345SS..Hα-helixtrans-63.7-33.8170.839.10000112.5E2276 R2282E2276-S2278 PolarHBondContact O-N 3.4Å; E2276-S2278 VanDerWaalsContact O-N 3.11Å; S2278-R2282 VanDerWaalsContact O-CD 3.31Å; S2278-R2282 WeakPolarHBondContact O-CD 3.33Å; S2278-R2282 VanDerWaalsContact O-CG 3.28Å; S2278-R2282 WeakPolarHBondContact O-CG 3.48Å
2279D68.4Low72.7Confident43 Ų4360.8 Ų60.823%0.2333%0.333CS..Hα-helixtrans-97.3-31-172.4-53.1-35.1000111.3M2275 E2276 K2277 A2281 R2282 A2283M2275-D2279 HydrophobicContact CB-CB 4.1Å; M2275-D2279 HydrophobicContact CG-CB 4.44Å; E2276-D2279 CarbonylContact O-C 3.6Å; E2276-D2279 WeakPolarHBondContact O-CA 3.26Å; E2276-D2279 PolarHBondContact O-N 2.96Å; K2277-D2279 VanDerWaalsContact C-N 3.28Å; D2279-A2281 PolarHBondContact O-N 3.26Å; D2279-R2282 CarbonylContact O-C 3.58Å; D2279-R2282 WeakPolarHBondContact O-CA 3.33Å; D2279-R2282 PolarHBondContact O-N 2.95Å; D2279-R2282 IonicContact OD1-CZ 3.85Å; D2279-R2282 IonicContact OD1-NH1 2.71Å; D2279-R2282 PolarHBondContact OD1-NH1 2.94Å; D2279-A2283 PolarHBondContact O-N 3.31Å
2280E71.8Confident73.8Confident76 Ų7654.1 Ų54.136%0.35531%0.308SS..Hα-helixtrans-52.2-43.6162-66.4-171.1122.600111I2263 T2272 M2275 E2276 R2282 A2283I2263-E2280 WeakPolarHBondContact CD1-O 3.45Å; T2272-E2280 HydrophobicContact CG2-CG 4.49Å; M2275-E2280 HydrophobicContact CB-CG 4.04Å; E2276-E2280 PolarHBondContact O-N 2.9Å; E2280-R2282 VanDerWaalsContact C-N 3.25Å; E2280-R2282 PolarHBondContact O-N 3.48Å; E2280-A2283 VanDerWaalsContact O-CB 3.32Å; E2280-A2283 WeakPolarHBondContact O-CB 3.31Å; E2280-A2283 PolarHBondContact O-N 3.11Å
2281A69.9Low74.5Confident52 Ų5255.7 Ų55.743%0.4332%0.317SS..THydrogen-bonded Turntrans-69.1-20.6177.500000113.9K2277 D2279 W2284K2277-A2281 PolarHBondContact O-N 3.34Å; D2279-A2281 PolarHBondContact O-N 3.26Å; A2281-W2284 PolarHBondContact O-NE1 2.91Å
2282R74.2Confident75.3Confident54 Ų5451.3 Ų51.320%0.20429%0.293CS..THydrogen-bonded Turntrans-95.6-7.5175.3-65.7162.2171.9160.8-9.9113.1L2209 Q2238 S2278 D2279 E2280 W2284 F2285L2209-R2282 PolarHBondContact O-NH2 3.04Å; Q2238-R2282 HydrophobicContact CB-CB 4.34Å; S2278-R2282 VanDerWaalsContact O-CD 3.31Å; S2278-R2282 WeakPolarHBondContact O-CD 3.33Å; S2278-R2282 VanDerWaalsContact O-CG 3.28Å; S2278-R2282 WeakPolarHBondContact O-CG 3.48Å; D2279-R2282 CarbonylContact O-C 3.58Å; D2279-R2282 WeakPolarHBondContact O-CA 3.33Å; D2279-R2282 PolarHBondContact O-N 2.95Å; D2279-R2282 IonicContact OD1-CZ 3.85Å; D2279-R2282 IonicContact OD1-NH1 2.71Å; D2279-R2282 PolarHBondContact OD1-NH1 2.94Å; E2280-R2282 VanDerWaalsContact C-N 3.25Å; E2280-R2282 PolarHBondContact O-N 3.48Å; R2282-W2284 PolarHBondContact O-N 2.96Å; R2282-F2285 HydrophobicContact CB-CD2 4.24Å; R2282-F2285 HydrophobicContact CB-CE2 4.39Å; R2282-F2285 HydrophobicContact CB-CG 4.34Å; R2282-F2285 HydrophobicContact CG-CD2 4.24Å; R2282-F2285 HydrophobicContact CG-CE2 3.96Å; R2282-F2285 HydrophobicContact CG-CZ 4.23Å; R2282-F2285 VanDerWaalsContact O-CB 3.25Å; R2282-F2285 WeakPolarHBondContact O-CB 3.3Å; R2282-F2285 WeakPolarHBondContact O-CG 3.43Å; R2282-F2285 PolarHBondContact O-N 2.97Å
2283A74.8Confident75.8Confident0 Ų053.5 Ų53.50%030%0.301CS..THydrogen-bonded Turntrans-61.4-21.7-166.300000114.7I2263 I2270 T2272 M2275 D2279 E2280I2263-A2283 HydrophobicContact CG1-CB 4.38Å; I2270-A2283 WeakPolarHBondContact CD1-O 3.2Å; I2270-A2283 HydrophobicContact CG2-CB 4.08Å; T2272-A2283 HydrophobicContact CG2-CB 4.09Å; M2275-A2283 HydrophobicContact SD-CB 4.08Å; D2279-A2283 PolarHBondContact O-N 3.31Å; E2280-A2283 VanDerWaalsContact O-CB 3.32Å; E2280-A2283 WeakPolarHBondContact O-CB 3.31Å; E2280-A2283 PolarHBondContact O-N 3.11Å
2284W81.9Confident76.3Confident8 Ų852 Ų523%0.0329%0.285CS..THydrogen-bonded Turntrans-101.27.5178.363.1-76.2000113.7P2241 F2243 L2254 I2262 I2263 I2270 A2281 R2282P2241-W2284 HydrophobicContact CB-CH2 4.18Å; P2241-W2284 HydrophobicContact CB-CZ3 4.46Å; F2243-W2284 HydrophobicContact CB-CH2 4.31Å; F2243-W2284 HydrophobicContact CB-CZ3 3.91Å; F2243-W2284 HydrophobicContact CD2-CE3 4.46Å; F2243-W2284 HydrophobicContact CD2-CZ3 4.03Å; F2243-W2284 HydrophobicContact CG-CZ3 4.49Å; F2243-W2284 WeakPolarHBondContact O-CH2 3.41Å; L2254-W2284 HydrophobicContact CB-CZ2 4.3Å; L2254-W2284 HydrophobicContact CD2-CH2 4.13Å; L2254-W2284 HydrophobicContact CD2-CZ2 4.16Å; I2262-W2284 HydrophobicContact CB-CB 4.27Å; I2262-W2284 HydrophobicContact CD1-CE3 4.13Å; I2262-W2284 HydrophobicContact CG2-CB 3.84Å; I2263-W2284 HydrophobicContact CG1-CB 4.37Å; I2270-W2284 HydrophobicContact CD1-CB 4.36Å; A2281-W2284 PolarHBondContact O-NE1 2.91Å; R2282-W2284 PolarHBondContact O-N 2.96Å
2285F85.6Confident76.5Confident5 Ų549.6 Ų49.62%0.02226%0.261CS..SBendtrans-77.4150.9173.3-70.719.2000110W2208 Q2238 I2240 P2241 L2254 R2282W2208-F2285 AromaticContact CD1-CE2 3.86Å; W2208-F2285 HydrophobicContact CG-CE2 4.37Å; Q2238-F2285 HydrophobicContact CB-CB 4.32Å; I2240-F2285 WeakPolarHBondContact O-CB 3.43Å; P2241-F2285 HydrophobicContact CB-CD1 3.88Å; P2241-F2285 HydrophobicContact CB-CD2 4.4Å; P2241-F2285 HydrophobicContact CB-CE1 3.77Å; P2241-F2285 HydrophobicContact CB-CE2 4.28Å; P2241-F2285 HydrophobicContact CB-CG 4.21Å; P2241-F2285 HydrophobicContact CB-CZ 3.99Å; P2241-F2285 HydrophobicContact CG-CE2 4.4Å; P2241-F2285 HydrophobicContact CG-CZ 4.36Å; L2254-F2285 HydrophobicContact CD1-CE1 4.14Å; L2254-F2285 HydrophobicContact CD1-CZ 3.83Å; L2254-F2285 HydrophobicContact CD2-CE1 4.36Å; L2254-F2285 HydrophobicContact CD2-CZ 4.31Å; R2282-F2285 HydrophobicContact CB-CD2 4.24Å; R2282-F2285 HydrophobicContact CB-CE2 4.39Å; R2282-F2285 HydrophobicContact CB-CG 4.34Å; R2282-F2285 HydrophobicContact CG-CD2 4.24Å; R2282-F2285 HydrophobicContact CG-CE2 3.96Å; R2282-F2285 HydrophobicContact CG-CZ 4.23Å; R2282-F2285 VanDerWaalsContact O-CB 3.25Å; R2282-F2285 WeakPolarHBondContact O-CB 3.3Å; R2282-F2285 WeakPolarHBondContact O-CG 3.43Å; R2282-F2285 PolarHBondContact O-N 2.97Å
2286D81.7Confident76.5Confident2 Ų256.9 Ų56.91%0.01129%0.291CS..EExtended strand (participates in β ladder)trans-68.8148.7176.8-64.8-0.8000111Q2238 S2239 I2240 S2307 H2309Q2238-D2286 CarbonylContact C-O 3.59Å; Q2238-D2286 WeakPolarHBondContact CA-O 3.3Å; Q2238-D2286 PolarHBondContact N-O 2.98Å; S2239-D2286 PolarHBondContact N-O 2.9Å; I2240-D2286 HydrophobicContact CG2-CB 3.83Å; I2240-D2286 PolarHBondContact O-N 3.46Å; D2286-S2307 PolarHBondContact OD2-OG 3.46Å; D2286-H2309 IonicContact OD1-CE1 2.94Å; D2286-H2309 IonicContact OD1-CG 2.83Å; D2286-H2309 IonicContact OD1-ND1 3.78Å; D2286-H2309 PolarHBondContact OD1-ND1 3.39Å; D2286-H2309 IonicContact OD2-CE1 2.8Å; D2286-H2309 PolarHBondContact OD2-CE1 3.44Å; D2286-H2309 IonicContact OD2-ND1 2.66Å; D2286-H2309 PolarHBondContact OD2-ND1 2.96Å
2287S84.9Confident76.3Confident22 Ų2252.3 Ų52.315%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-81138.4163.165.40000109.7S2307 E2308S2287-S2307 CarbonylContact O-C 3.59Å; S2287-S2307 VanDerWaalsContact O-CA 3.32Å; S2287-S2307 WeakPolarHBondContact O-CA 3.41Å; S2287-E2308 PolarHBondContact N-O 3.43Å; S2287-E2308 PolarHBondContact O-N 3.07Å; S2287-E2308 PolarHBondContact OG-O 3.19Å; S2287-E2308 VanDerWaalsContact OG-O 3.09Å
2288L86Confident76.2Confident0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-110.4132.8-178-171.5116.1000109.4I2081 F2184 I2236 S2239 I2240 L2290 L2332I2081-L2288 HydrophobicContact CD1-CD1 3.74Å; I2081-L2288 HydrophobicContact CD1-CD2 3.94Å; I2081-L2288 HydrophobicContact CG2-CD2 4.34Å; F2184-L2288 HydrophobicContact CE1-CD2 4.31Å; F2184-L2288 HydrophobicContact CZ-CD2 3.96Å; I2236-L2288 PolarHBondContact N-O 3.42Å; I2236-L2288 PolarHBondContact O-N 2.69Å; S2239-L2288 WeakPolarHBondContact OG-CB 3.37Å; I2240-L2288 HydrophobicContact CG2-CD1 4.35Å; L2288-L2290 HydrophobicContact CD2-CD1 4.16Å; L2288-L2290 HydrophobicContact CD2-CD2 4Å; L2288-L2290 HydrophobicContact CD2-CG 3.73Å; L2288-L2332 HydrophobicContact CD1-CD1 4.46Å; L2288-L2332 HydrophobicContact CD1-CD2 4.42Å
2289T86.4Confident76.2Confident31 Ų3154.9 Ų54.919%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-112.3123.1177.147.80000109.5I2234 L2235 A2305 T2306I2234-T2289 WeakPolarHBondContact O-CA 3.29Å; L2235-T2289 HydrophobicContact CB-CG2 4.42Å; L2235-T2289 HydrophobicContact CD1-CG2 3.55Å; T2289-A2305 WeakPolarHBondContact O-CA 3.19Å; T2289-T2306 PolarHBondContact N-O 3.31Å; T2289-T2306 PolarHBondContact O-N 3.5Å; T2289-T2306 PolarHBondContact OG1-O 3.33Å; T2289-T2306 PolarHBondContact OG1-OG1 2.92Å
2290L84.2Confident76.3Confident1 Ų156.2 Ų56.21%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-108.9125.8175-70.4171.3000110.6I2081 L2089 F2184 P2233 I2234 L2288 W2303 I2304 A2305I2081-L2290 HydrophobicContact CG2-CD1 4.35Å; L2089-L2290 HydrophobicContact CD1-CD1 3.77Å; F2184-L2290 HydrophobicContact CE2-CD1 3.84Å; F2184-L2290 HydrophobicContact CZ-CD1 3.86Å; P2233-L2290 WeakPolarHBondContact CA-O 3.17Å; I2234-L2290 HydrophobicContact CB-CB 4.25Å; I2234-L2290 PolarHBondContact N-O 2.88Å; I2234-L2290 PolarHBondContact O-N 2.81Å; L2288-L2290 HydrophobicContact CD2-CD1 4.16Å; L2288-L2290 HydrophobicContact CD2-CD2 4Å; L2288-L2290 HydrophobicContact CD2-CG 3.73Å; L2290-W2303 HydrophobicContact CB-CE3 3.94Å; L2290-W2303 HydrophobicContact CB-CZ3 4.22Å; L2290-W2303 HydrophobicContact CD2-CB 4.5Å; L2290-I2304 VanDerWaalsContact CA-O 3.29Å; L2290-I2304 WeakPolarHBondContact CA-O 3.43Å; L2290-A2305 HydrophobicContact CD2-CB 3.85Å
2291N84.9Confident76.6Confident66 Ų6653.7 Ų53.735%0.35328%0.281SS..EExtended strand (participates in β ladder)trans-112.1140.5167.5-94.8-38.6000110.1P2233 W2303 I2304P2233-N2291 WeakPolarHBondContact CA-OD1 3.39Å; P2233-N2291 WeakPolarHBondContact CB-OD1 3.35Å; N2291-W2303 WeakPolarHBondContact O-CA 3.33Å; N2291-I2304 HydrophobicContact CB-CB 4.32Å; N2291-I2304 HydrophobicContact CB-CD1 4.15Å; N2291-I2304 PolarHBondContact N-O 3.02Å; N2291-I2304 PolarHBondContact O-N 3.43Å
2292L82.9Confident77.2Confident35 Ų3553 Ų5318%0.18327%0.268CS..EExtended strand (participates in β ladder)trans-94.6117170.4-179.365000109A2225 K2301 W2303A2225-L2292 VanDerWaalsContact O-CD2 3.23Å; A2225-L2292 WeakPolarHBondContact O-CD2 3.42Å; L2292-K2301 HydrophobicContact CD1-CB 4.12Å; L2292-W2303 HydrophobicContact CB-CD2 4.39Å; L2292-W2303 HydrophobicContact CB-CE3 3.99Å; L2292-W2303 HydrophobicContact CB-CH2 4.03Å; L2292-W2303 HydrophobicContact CB-CZ2 4.4Å; L2292-W2303 HydrophobicContact CB-CZ3 3.8Å; L2292-W2303 HydrophobicContact CD1-CD2 4.08Å; L2292-W2303 HydrophobicContact CD1-CG 4.46Å; L2292-W2303 HydrophobicContact CD1-CZ2 4.14Å
2293E77.7Confident77.7Confident79 Ų7950.4 Ų50.437%0.36926%0.259SS..EExtended strand (participates in β ladder)trans-107.1133.5171.1-175155.5-122.900108.5M2302 I2304 R2329E2293-M2302 HydrophobicContact CB-CG 3.99Å; E2293-M2302 PolarHBondContact N-O 3.44Å; E2293-M2302 WeakPolarHBondContact O-CG 3.49Å; E2293-M2302 PolarHBondContact O-N 3.17Å; E2293-I2304 HydrophobicContact CB-CD1 3.68Å; E2293-I2304 WeakPolarHBondContact OE2-CD1 3.3Å; E2293-R2329 IonicContact OE1-NH2 2.66Å; E2293-R2329 PolarHBondContact OE1-NH2 3.27Å; E2293-R2329 IonicContact OE2-CZ 3.87Å; E2293-R2329 VanDerWaalsContact OE2-CZ 3.31Å; E2293-R2329 IonicContact OE2-NH1 3.55Å; E2293-R2329 PolarHBondContact OE2-NH1 3.35Å; E2293-R2329 IonicContact OE2-NH2 3.89Å; E2293-R2329 PolarHBondContact OE2-NH2 3.15Å
2294Q73Confident78.2Confident94 Ų9450.9 Ų50.944%0.43926%0.261SS..EExtended strand (participates in β ladder)trans-114.3127.3-173.8-172.6173.4-27.800109.9E2300Q2294-E2300 WeakPolarHBondContact CA-O 3.16Å
2295G69.1Low78.4Confident37 Ų3750.5 Ų50.538%0.38126%0.26SS..  trans-76-165.7-179.500000113.8E2300G2295-E2300 WeakPolarHBondContact CA-OE2 3.41Å; G2295-E2300 PolarHBondContact N-O 2.57Å
2296K68.8Low78.3Confident214 Ų21451.8 Ų51.893%0.9327%0.268SS*.SBendtrans-74.7-28.5-178.9-67.8177.3-179.6173.20111.7E2300K2296-E2300 PolarHBondContact N-OE2 3.01Å
2297S64.4Low78.2Confident45 Ų4553.4 Ų53.432%0.31528%0.279SS..SBendtrans-89.7146170.8-1750000111.7N2299 E2300S2297-N2299 PolarHBondContact O-N 2.65Å; S2297-N2299 VanDerWaalsContact O-N 3.08Å; S2297-N2299 PolarHBondContact OG-N 3.21Å; S2297-E2300 WeakPolarHBondContact CB-OE1 3.38Å; S2297-E2300 PolarHBondContact N-OE2 3.23Å; S2297-E2300 PolarHBondContact O-N 3.32Å
2298Q64.3Low77.9Confident153 Ų15356.5 Ų56.572%0.71529%0.292SS*.THydrogen-bonded Turntrans-62.1-15.4171.3-65.9-172.5-2.800113.2K2301Q2298-K2301 WeakPolarHBondContact O-CE 3.32Å; Q2298-K2301 PolarHBondContact O-NZ 2.87Å
2299N65.2Low77.6Confident136 Ų13658.2 Ų58.273%0.72730%0.3SS*.THydrogen-bonded Turntrans-92.6-15.9177.2-62-11.5000112.9S2297 K2301S2297-N2299 PolarHBondContact O-N 2.65Å; S2297-N2299 VanDerWaalsContact O-N 3.08Å; S2297-N2299 PolarHBondContact OG-N 3.21Å; N2299-K2301 PolarHBondContact O-N 3.01Å; N2299-K2301 VanDerWaalsContact O-N 3.16Å
2300E71.4Confident76.9Confident71 Ų7158.4 Ų58.433%0.33230%0.301SS..  trans-81.892.7177.3-73.9153.5-150.500109.3Q2294 G2295 K2296 S2297Q2294-E2300 WeakPolarHBondContact CA-O 3.16Å; G2295-E2300 WeakPolarHBondContact CA-OE2 3.41Å; G2295-E2300 PolarHBondContact N-O 2.57Å; K2296-E2300 PolarHBondContact N-OE2 3.01Å; S2297-E2300 WeakPolarHBondContact CB-OE1 3.38Å; S2297-E2300 PolarHBondContact N-OE2 3.23Å; S2297-E2300 PolarHBondContact O-N 3.32Å
2301K77Confident76.1Confident23 Ų2360.6 Ų60.610%0.132%0.324CS..EExtended strand (participates in β ladder)trans-123117.5176.3-70.7179.8-174.2103.50109W2162 L2292 Q2298 N2299W2162-K2301 HydrophobicContact CB-CB 4.49Å; W2162-K2301 HydrophobicContact CE3-CB 4.4Å; W2162-K2301 HydrophobicContact CE3-CD 4.3Å; W2162-K2301 PolarHBondContact N-O 3.01Å; L2292-K2301 HydrophobicContact CD1-CB 4.12Å; Q2298-K2301 WeakPolarHBondContact O-CE 3.32Å; Q2298-K2301 PolarHBondContact O-NZ 2.87Å; N2299-K2301 PolarHBondContact O-N 3.01Å; N2299-K2301 VanDerWaalsContact O-N 3.16Å
2302M82.5Confident75.2Confident36 Ų3661.3 Ų61.318%0.17733%0.328CS..EExtended strand (participates in β ladder)trans-121136.2178.860-171.5-72.200110.2E2157 Y2161 E2293E2157-M2302 HydrophobicContact CB-CE 3.75Å; E2157-M2302 HydrophobicContact CG-CE 3.65Å; Y2161-M2302 HydrophobicContact CD1-CB 4.19Å; Y2161-M2302 HydrophobicContact CE1-CB 4.38Å; E2293-M2302 HydrophobicContact CB-CG 3.99Å; E2293-M2302 PolarHBondContact N-O 3.44Å; E2293-M2302 WeakPolarHBondContact O-CG 3.49Å; E2293-M2302 PolarHBondContact O-N 3.17Å
2303W85.5Confident74Confident1 Ų165.7 Ų65.70%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-95.4139.5170.9-66.691.4000110.1L2089 S2158 W2162 A2225 L2226 I2234 L2290 N2291 L2292L2089-W2303 HydrophobicContact CB-CD2 4.36Å; L2089-W2303 HydrophobicContact CB-CG 4.04Å; L2089-W2303 HydrophobicContact CD2-CZ2 3.99Å; L2089-W2303 WeakPolarHBondContact O-CB 3.34Å; S2158-W2303 WeakPolarHBondContact CB-O 3.31Å; S2158-W2303 PolarHBondContact N-O 2.91Å; W2162-W2303 AromaticContact CD2-NE1 3.27Å; W2162-W2303 VanDerWaalsContact CD2-NE1 3.27Å; W2162-W2303 AromaticContact CE2-NE1 3.78Å; W2162-W2303 HydrophobicContact CE3-CZ2 4.32Å; W2162-W2303 AromaticContact CE3-NE1 3.38Å; W2162-W2303 AromaticContact CG-CD1 3.86Å; W2162-W2303 AromaticContact CG-NE1 3.54Å; W2162-W2303 HydrophobicContact CH2-CZ2 4.24Å; W2162-W2303 HydrophobicContact CZ3-CZ2 4.07Å; W2162-W2303 AromaticContact CZ3-NE1 3.99Å; A2225-W2303 HydrophobicContact CB-CH2 4.44Å; L2226-W2303 HydrophobicContact CD2-CH2 4.4Å; L2226-W2303 HydrophobicContact CD2-CZ2 4.08Å; I2234-W2303 HydrophobicContact CD1-CH2 3.72Å; I2234-W2303 HydrophobicContact CD1-CZ3 3.65Å; I2234-W2303 HydrophobicContact CG1-CZ3 4.5Å; L2290-W2303 HydrophobicContact CB-CE3 3.94Å; L2290-W2303 HydrophobicContact CB-CZ3 4.22Å; L2290-W2303 HydrophobicContact CD2-CB 4.5Å; N2291-W2303 WeakPolarHBondContact O-CA 3.33Å; L2292-W2303 HydrophobicContact CB-CD2 4.39Å; L2292-W2303 HydrophobicContact CB-CE3 3.99Å; L2292-W2303 HydrophobicContact CB-CH2 4.03Å; L2292-W2303 HydrophobicContact CB-CZ2 4.4Å; L2292-W2303 HydrophobicContact CB-CZ3 3.8Å; L2292-W2303 HydrophobicContact CD1-CD2 4.08Å; L2292-W2303 HydrophobicContact CD1-CG 4.46Å; L2292-W2303 HydrophobicContact CD1-CZ2 4.14Å
2304I85.9Confident73Confident10 Ų1067.3 Ų67.35%0.05136%0.358CS..EExtended strand (participates in β ladder)trans-108.2124.8175.2-57.6147.4000107P2156 E2157 L2290 N2291 E2293P2156-I2304 HydrophobicContact CB-CG2 4.44Å; P2156-I2304 CarbonylContact O-C 3.55Å; P2156-I2304 WeakPolarHBondContact O-CA 3.22Å; P2156-I2304 WeakPolarHBondContact O-CG2 3.49Å; E2157-I2304 HydrophobicContact CG-CG1 4.28Å; L2290-I2304 VanDerWaalsContact CA-O 3.29Å; L2290-I2304 WeakPolarHBondContact CA-O 3.43Å; N2291-I2304 HydrophobicContact CB-CB 4.32Å; N2291-I2304 HydrophobicContact CB-CD1 4.15Å; N2291-I2304 PolarHBondContact N-O 3.02Å; N2291-I2304 PolarHBondContact O-N 3.43Å; E2293-I2304 HydrophobicContact CB-CD1 3.68Å; E2293-I2304 WeakPolarHBondContact OE2-CD1 3.3Å
2305A85.2Confident72.5Confident0 Ų064 Ų640%035%0.347CS..EExtended strand (participates in β ladder)trans-111.3124.4178.300000110.9I2081 Y2090 P2156 T2289 L2290 L2332I2081-A2305 HydrophobicContact CD1-CB 4.37Å; Y2090-A2305 HydrophobicContact CD1-CB 4.37Å; Y2090-A2305 HydrophobicContact CD2-CB 3.68Å; Y2090-A2305 HydrophobicContact CE1-CB 4.47Å; Y2090-A2305 HydrophobicContact CE2-CB 3.79Å; Y2090-A2305 HydrophobicContact CG-CB 3.98Å; P2156-A2305 PolarHBondContact O-N 3.38Å; T2289-A2305 WeakPolarHBondContact O-CA 3.19Å; L2290-A2305 HydrophobicContact CD2-CB 3.85Å; A2305-L2332 HydrophobicContact CB-CD2 4.44Å
2306T83.3Confident72.3Confident32 Ų3269.6 Ų69.620%0.19636%0.361CS..EExtended strand (participates in β ladder)trans-130.1136173.235.50000110.4P2156 T2289 P2330P2156-T2306 HydrophobicContact CB-CG2 4.46Å; T2289-T2306 PolarHBondContact N-O 3.31Å; T2289-T2306 PolarHBondContact O-N 3.5Å; T2289-T2306 PolarHBondContact OG1-O 3.33Å; T2289-T2306 PolarHBondContact OG1-OG1 2.92Å; T2306-P2330 HydrophobicContact CG2-CG 4.03Å
2307S80.6Confident72.3Confident35 Ų3560.4 Ų60.425%0.24532%0.322CS..EExtended strand (participates in β ladder)trans-98.3152.3175.5660000112.9D2286 S2287 L2332D2286-S2307 PolarHBondContact OD2-OG 3.46Å; S2287-S2307 CarbonylContact O-C 3.59Å; S2287-S2307 VanDerWaalsContact O-CA 3.32Å; S2287-S2307 WeakPolarHBondContact O-CA 3.41Å; S2307-L2332 VanDerWaalsContact CB-CD1 3.45Å; S2307-L2332 WeakPolarHBondContact OG-CD1 3.4Å
2308E78.5Confident72.9Confident88 Ų8859.1 Ų59.141%0.41131%0.31SS..EExtended strand (participates in β ladder)trans-132118.6170173.5162.6-13300109.5S2287 Q2313S2287-E2308 PolarHBondContact N-O 3.43Å; S2287-E2308 PolarHBondContact O-N 3.07Å; S2287-E2308 PolarHBondContact OG-O 3.19Å; S2287-E2308 VanDerWaalsContact OG-O 3.09Å; E2308-Q2313 PolarHBondContact OE1-NE2 2.73Å
2309H78.3Confident73.2Confident36 Ų3652.6 Ų52.617%0.16728%0.28CS..  trans-62.8144.2178.1-64.4-45.5000111.7D2286 G2311 W2318D2286-H2309 IonicContact OD1-CE1 2.94Å; D2286-H2309 IonicContact OD1-CG 2.83Å; D2286-H2309 IonicContact OD1-ND1 3.78Å; D2286-H2309 PolarHBondContact OD1-ND1 3.39Å; D2286-H2309 IonicContact OD2-CE1 2.8Å; D2286-H2309 PolarHBondContact OD2-CE1 3.44Å; D2286-H2309 IonicContact OD2-ND1 2.66Å; D2286-H2309 PolarHBondContact OD2-ND1 2.96Å; H2309-G2311 PolarHBondContact O-N 3.33Å; H2309-G2311 VanDerWaalsContact O-N 3.16Å; H2309-W2318 HydrophobicContact CB-CD2 4.07Å; H2309-W2318 HydrophobicContact CB-CG 4.2Å; H2309-W2318 HydrophobicContact CB-CZ2 4.34Å; H2309-W2318 AromaticContact CD2-CG 3.69Å; H2309-W2318 AromaticContact CG-CD2 3.88Å; H2309-W2318 AromaticContact CG-CG 3.95Å
2310P72.4Confident73.2Confident35 Ų3553.1 Ų53.123%0.22728%0.276CS..SBendtrans-71.3111176.627.6-31.9000111.5I2270 W2318I2270-P2310 HydrophobicContact CD1-CB 4.35Å; I2270-P2310 HydrophobicContact CD1-CG 4.34Å; P2310-W2318 HydrophobicContact CG-CH2 4.29Å; P2310-W2318 HydrophobicContact CG-CZ2 3.98Å
2311G68.2Low72.7Confident46 Ų4652.5 Ų52.547%0.47428%0.277SS..SBendtrans129.7-149.317300000113.6H2309H2309-G2311 PolarHBondContact O-N 3.33Å; H2309-G2311 VanDerWaalsContact O-N 3.16Å
2312D65.1Low71.7Confident82 Ų8253.6 Ų53.644%0.43929%0.29SS..  trans-81.9122171.2-179.8-1.7000109.6N2314 A2315D2312-N2314 PolarHBondContact O-N 3.36Å; D2312-N2314 WeakPolarHBondContact OD1-CB 3.48Å; D2312-N2314 PolarHBondContact OD1-N 2.76Å; D2312-N2314 PolarHBondContact OD1-ND2 3.11Å; D2312-A2315 VanDerWaalsContact O-CB 3.27Å; D2312-A2315 WeakPolarHBondContact O-CB 3.49Å; D2312-A2315 PolarHBondContact O-N 2.97Å
2313Q58.2Low70.5Confident126 Ų12659.9 Ų59.959%0.58932%0.324SS*.THydrogen-bonded Turntrans-57.9-17.9177-59.3-178.15.500113.1E2308E2308-Q2313 PolarHBondContact OE1-NE2 2.73Å
2314N56.8Low69.1Low113 Ų11363.2 Ų63.260%0.60435%0.345SS*.THydrogen-bonded Turntrans-84.7-5.8176.8-61.1-81.4000114.3D2312 K2316D2312-N2314 PolarHBondContact O-N 3.36Å; D2312-N2314 WeakPolarHBondContact OD1-CB 3.48Å; D2312-N2314 PolarHBondContact OD1-N 2.76Å; D2312-N2314 PolarHBondContact OD1-ND2 3.11Å; N2314-K2316 PolarHBondContact O-N 2.74Å
2315A61.6Low68Low24 Ų2466.8 Ų66.820%0.19837%0.367CS..  trans-63.3125.8-177.800000111.9D2312 L2317 W2318D2312-A2315 VanDerWaalsContact O-CB 3.27Å; D2312-A2315 WeakPolarHBondContact O-CB 3.49Å; D2312-A2315 PolarHBondContact O-N 2.97Å; A2315-L2317 PolarHBondContact O-N 3.42Å; A2315-W2318 PolarHBondContact O-N 2.78Å
2316K64.1Low67.1Low155 Ų15570.9 Ų70.967%0.67438%0.383SS*.THydrogen-bonded Turntrans-59.4-6.4178.5-63.7-174.9178.8-1770115.2A2118 N2314A2118-K2316 HydrophobicContact CB-CB 4.3Å; A2118-K2316 WeakPolarHBondContact CB-O 3.39Å; N2314-K2316 PolarHBondContact O-N 2.74Å
2317L70.1Confident66.3Low21 Ų2173.4 Ų73.411%0.1140%0.403CS..THydrogen-bonded Turntrans-75.3-28.6-179.9-167.860.7000112.2A2118 L2119 I2262 A2315A2118-L2317 HydrophobicContact CB-CD1 4.44Å; L2119-L2317 HydrophobicContact CD2-CD1 3.97Å; L2119-L2317 HydrophobicContact CG-CD1 4.46Å; I2262-L2317 HydrophobicContact CB-CD2 4.41Å; I2262-L2317 HydrophobicContact CG1-CD2 3.95Å; I2262-L2317 HydrophobicContact CG1-CG 4.32Å; I2262-L2317 HydrophobicContact CG2-CD2 4.19Å; A2315-L2317 PolarHBondContact O-N 3.42Å
2318W75.8Confident65.6Low18 Ų1874.8 Ų74.87%0.06842%0.422CS..SBendtrans-97.1140.8179.3-54.3119.7000110.9A2242 F2243 I2262 H2309 P2310 A2315 K2320A2242-W2318 HydrophobicContact CB-CE3 4.38Å; A2242-W2318 HydrophobicContact CB-CZ3 3.91Å; F2243-W2318 HydrophobicContact CD2-CZ3 4.34Å; F2243-W2318 HydrophobicContact CE2-CE3 4.02Å; F2243-W2318 AromaticContact CE2-CZ3 3.79Å; F2243-W2318 HydrophobicContact CE2-CZ3 3.79Å; I2262-W2318 HydrophobicContact CD1-CH2 4.09Å; I2262-W2318 HydrophobicContact CD1-CZ3 4.22Å; I2262-W2318 HydrophobicContact CG2-CH2 4.17Å; I2262-W2318 HydrophobicContact CG2-CZ2 4.2Å; H2309-W2318 HydrophobicContact CB-CD2 4.07Å; H2309-W2318 HydrophobicContact CB-CG 4.2Å; H2309-W2318 HydrophobicContact CB-CZ2 4.34Å; H2309-W2318 AromaticContact CD2-CG 3.69Å; H2309-W2318 AromaticContact CG-CD2 3.88Å; H2309-W2318 AromaticContact CG-CG 3.95Å; P2310-W2318 HydrophobicContact CG-CH2 4.29Å; P2310-W2318 HydrophobicContact CG-CZ2 3.98Å; A2315-W2318 PolarHBondContact O-N 2.78Å; W2318-K2320 PolarHBondContact O-N 3.26Å; W2318-K2320 VanDerWaalsContact O-N 3.11Å
2319I71.7Confident65.3Low16 Ų1673.5 Ų73.58%0.08241%0.414CS..  trans-78100.9179-55.8-174.6000109I2107 I2151 T2321 Q2333 V2335I2107-I2319 HydrophobicContact CD1-CD1 3.77Å; I2151-I2319 HydrophobicContact CD1-CG2 4.38Å; I2319-T2321 PolarHBondContact O-N 2.98Å; I2319-Q2333 PolarHBondContact O-NE2 3.02Å; I2319-V2335 HydrophobicContact CD1-CG2 3.86Å
2320K64.6Low65.1Low148 Ų14874.9 Ų74.964%0.64343%0.426SS*.  trans-44.7121.2179-67.6-167.1173.9-162.90112.3W2318 A2322W2318-K2320 PolarHBondContact O-N 3.26Å; W2318-K2320 VanDerWaalsContact O-N 3.11Å; K2320-A2322 PolarHBondContact O-N 3.23Å
2321T60.4Low65.5Low58 Ų5875.3 Ų75.336%0.35642%0.423SS..  trans-54.6133.5171-44.20000109.7I2319I2319-T2321 PolarHBondContact O-N 2.98Å
2322A57.7Low66.2Low46 Ų4673.1 Ų73.138%0.3840%0.401SS..  trans-69.9158.3179.500000111.6K2320 T2324K2320-A2322 PolarHBondContact O-N 3.23Å; A2322-T2324 PolarHBondContact O-N 2.9Å
2323N56.1Low67Low167 Ų16769.9 Ų69.989%0.89338%0.383SS*.SBendtrans-60.5-4.3178.6-71.412.6000114.7T2325N2323-T2325 PolarHBondContact O-N 3.37Å
2324T56.5Low68.4Low72 Ų7264 Ų6444%0.44236%0.356SS..  trans-65.493.2168.249.80000109.9A2322 Y2331A2322-T2324 PolarHBondContact O-N 2.9Å; T2324-Y2331 WeakPolarHBondContact O-CD2 3.46Å; T2324-Y2331 VanDerWaalsContact O-CE2 3.29Å; T2324-Y2331 WeakPolarHBondContact O-CE2 3.43Å
2325T63Low69.9Low84 Ų8458.9 Ų58.952%0.51533%0.328SS..  trans-88.1151.5164.852.40000110N2323 R2329N2323-T2325 PolarHBondContact O-N 3.37Å; T2325-R2329 WeakPolarHBondContact CA-O 3.47Å; T2325-R2329 WeakPolarHBondContact CB-O 3.24Å
2326Y65.8Low71.2Confident86 Ų8657.7 Ų57.734%0.33732%0.319SS..BIsolated β-bridgetrans-112123.5169.8-174.7-87.9000107.5P2156 G2328 R2329P2156-Y2326 HydrophobicContact CG-CD1 4.12Å; Y2326-G2328 PolarHBondContact O-N 3.41Å; Y2326-G2328 VanDerWaalsContact O-N 3.13Å; Y2326-R2329 PolarHBondContact N-O 3.39Å; Y2326-R2329 WeakPolarHBondContact O-CA 3.26Å; Y2326-R2329 WeakPolarHBondContact O-CB 3.42Å; Y2326-R2329 PolarHBondContact O-N 3.49Å
2327S65.8Low72.4Confident86 Ų8650.3 Ų50.360%0.60129%0.287SS*.THydrogen-bonded Turntrans55.929.1-175.7-140.40000113.5E2157 R2329E2157-S2327 WeakPolarHBondContact OE1-CB 3.43Å; E2157-S2327 PolarHBondContact OE1-OG 3.42Å; S2327-R2329 PolarHBondContact O-N 3Å
2328G67.6Low73.2Confident64 Ų6449.6 Ų49.666%0.6628%0.283SS*.THydrogen-bonded Turntrans72.10.9-172.700000115.4Y2326Y2326-G2328 PolarHBondContact O-N 3.41Å; Y2326-G2328 VanDerWaalsContact O-N 3.13Å
2329R72Confident73.6Confident61 Ų6150.4 Ų50.423%0.2329%0.289CS..BIsolated β-bridgetrans-99.8148-180-60.9160175.6170.1-7.2109.7P2156 E2157 E2293 T2325 Y2326 S2327P2156-R2329 HydrophobicContact CB-CB 3.98Å; P2156-R2329 HydrophobicContact CG-CB 3.71Å; E2157-R2329 IonicContact OE1-CZ 2.75Å; E2157-R2329 IonicContact OE1-NH1 3.13Å; E2157-R2329 PolarHBondContact OE1-NH1 2.64Å; E2293-R2329 IonicContact OE1-NH2 2.66Å; E2293-R2329 PolarHBondContact OE1-NH2 3.27Å; E2293-R2329 IonicContact OE2-CZ 3.87Å; E2293-R2329 VanDerWaalsContact OE2-CZ 3.31Å; E2293-R2329 IonicContact OE2-NH1 3.55Å; E2293-R2329 PolarHBondContact OE2-NH1 3.35Å; E2293-R2329 IonicContact OE2-NH2 3.89Å; E2293-R2329 PolarHBondContact OE2-NH2 3.15Å; T2325-R2329 WeakPolarHBondContact CA-O 3.47Å; T2325-R2329 WeakPolarHBondContact CB-O 3.24Å; Y2326-R2329 PolarHBondContact N-O 3.39Å; Y2326-R2329 WeakPolarHBondContact O-CA 3.26Å; Y2326-R2329 WeakPolarHBondContact O-CB 3.42Å; Y2326-R2329 PolarHBondContact O-N 3.49Å; S2327-R2329 PolarHBondContact O-N 3Å
2330P74.2Confident73.9Confident64 Ų6454 Ų5442%0.41630%0.301SS..PPolyproline II helixtrans-73.8151.2177.230.7-34.3000111.7P2156 T2306P2156-P2330 WeakPolarHBondContact CB-O 3.42Å; T2306-P2330 HydrophobicContact CG2-CG 4.03Å
2331Y79.3Confident74Confident44 Ų4447.2 Ų47.217%0.17327%0.273CS..PPolyproline II helixtrans-73.1148170.7-75.1-105.7000111.3R2153 F2154 R2155 T2324R2153-Y2331 HydrophobicContact CB-CD1 3.91Å; R2153-Y2331 HydrophobicContact CB-CG 4.34Å; F2154-Y2331 WeakPolarHBondContact O-CD1 3.45Å; R2155-Y2331 HydrophobicContact CG-CE1 4.01Å; T2324-Y2331 WeakPolarHBondContact O-CD2 3.46Å; T2324-Y2331 VanDerWaalsContact O-CE2 3.29Å; T2324-Y2331 WeakPolarHBondContact O-CE2 3.43Å
2332L82.9Confident74.3Confident1 Ų149.1 Ų49.11%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-81.7118.2170.5175.662.8000108.6L2079 Y2090 F2154 I2240 L2288 A2305 S2307L2079-L2332 HydrophobicContact CD2-CD2 3.45Å; L2079-L2332 VanDerWaalsContact CD2-CD2 3.45Å; L2079-L2332 HydrophobicContact CD2-CG 4.34Å; Y2090-L2332 HydrophobicContact CE1-CD2 4.4Å; F2154-L2332 HydrophobicContact CB-CB 4.2Å; F2154-L2332 HydrophobicContact CB-CD2 4.45Å; F2154-L2332 HydrophobicContact CB-CG 4.5Å; F2154-L2332 HydrophobicContact CD2-CG 4.4Å; F2154-L2332 PolarHBondContact N-O 3.45Å; F2154-L2332 PolarHBondContact O-N 3.07Å; I2240-L2332 HydrophobicContact CD1-CD1 4.4Å; I2240-L2332 HydrophobicContact CD1-CD2 4.5Å; L2288-L2332 HydrophobicContact CD1-CD1 4.46Å; L2288-L2332 HydrophobicContact CD1-CD2 4.42Å; A2305-L2332 HydrophobicContact CB-CD2 4.44Å; S2307-L2332 VanDerWaalsContact CB-CD1 3.45Å; S2307-L2332 WeakPolarHBondContact OG-CD1 3.4Å
2333Q83.6Confident74.4Confident14 Ų1449.2 Ų49.27%0.06527%0.273CS..EExtended strand (participates in β ladder)trans-118.7134.5-165.9-169.8-179.2-103.900112.6I2151 V2152 R2153 I2319I2151-Q2333 HydrophobicContact CG2-CG 3.64Å; V2152-Q2333 WeakPolarHBondContact O-CA 3.29Å; R2153-Q2333 HydrophobicContact CG-CG 4.43Å; I2319-Q2333 PolarHBondContact O-NE2 3.02Å
2334V87.1Confident74.5Confident2 Ų243.2 Ų43.21%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-133.4139.5178176.60000110V2152 F2154 L2188 I2240 I2244V2152-V2334 PolarHBondContact N-O 2.92Å; V2152-V2334 PolarHBondContact O-N 3.48Å; F2154-V2334 HydrophobicContact CE2-CB 4.3Å; F2154-V2334 HydrophobicContact CE2-CG2 3.98Å; L2188-V2334 HydrophobicContact CD2-CG1 4.49Å; I2240-V2334 HydrophobicContact CD1-CG2 4.04Å; I2240-V2334 HydrophobicContact CG1-CG2 4.45Å; I2244-V2334 HydrophobicContact CD1-CG1 3.51Å; I2244-V2334 HydrophobicContact CG1-CG1 3.98Å
2335V88.3Confident74.5Confident5 Ų544.7 Ų44.73%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-105.8120.5179.8-1750000110.6I2149 L2150 A2242 F2243 I2244 I2319I2149-V2335 HydrophobicContact CG2-CG1 3.97Å; L2150-V2335 CarbonylContact O-C 3.39Å; L2150-V2335 WeakPolarHBondContact O-CA 3.19Å; A2242-V2335 WeakPolarHBondContact O-CB 3.39Å; A2242-V2335 PolarHBondContact O-N 3.49Å; F2243-V2335 CarbonylContact C-O 3.58Å; F2243-V2335 WeakPolarHBondContact CA-O 3.36Å; F2243-V2335 HydrophobicContact CD1-CB 3.77Å; F2243-V2335 HydrophobicContact CD1-CG1 4.04Å; F2243-V2335 HydrophobicContact CD1-CG2 4.23Å; F2243-V2335 HydrophobicContact CE1-CB 4.19Å; F2243-V2335 HydrophobicContact CE1-CG1 4.33Å; F2243-V2335 HydrophobicContact CE1-CG2 4.19Å; I2244-V2335 PolarHBondContact N-O 3.3Å; I2319-V2335 HydrophobicContact CD1-CG2 3.86Å
2336G88.2Confident74.4Confident0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-106.9121.7179.200000113L2150 I2244L2150-G2336 PolarHBondContact N-O 3.29Å; L2150-G2336 PolarHBondContact O-N 2.96Å; I2244-G2336 CarbonylContact O-C 3.58Å; I2244-G2336 WeakPolarHBondContact O-CA 3.47Å
2337F90.4Very high74.1Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-88.1119.9166.3-61.9-86.9000109Y2140 L2141 Y2144 I2149 F2243 I2244 Q2245 V2246 P2255 I2258Y2140-F2337 HydrophobicContact CE1-CD1 4.37Å; Y2140-F2337 HydrophobicContact CE1-CD2 4.39Å; Y2140-F2337 HydrophobicContact CE1-CG 4.32Å; L2141-F2337 HydrophobicContact CD1-CE1 3.88Å; L2141-F2337 HydrophobicContact CD1-CZ 4.36Å; Y2144-F2337 HydrophobicContact CD1-CB 4.3Å; Y2144-F2337 AromaticContact CD2-CD1 3.83Å; Y2144-F2337 HydrophobicContact CD2-CD1 3.83Å; Y2144-F2337 HydrophobicContact CE1-CB 3.95Å; Y2144-F2337 HydrophobicContact CE2-CB 4.28Å; Y2144-F2337 HydrophobicContact CE2-CD1 4.13Å; Y2144-F2337 HydrophobicContact CE2-CG 4.45Å; Y2144-F2337 HydrophobicContact CG-CD1 4.05Å; I2149-F2337 HydrophobicContact CD1-CD1 4.13Å; I2149-F2337 HydrophobicContact CD1-CE1 3.88Å; I2149-F2337 HydrophobicContact CG1-CD1 3.78Å; I2149-F2337 HydrophobicContact CG1-CE1 3.99Å; I2149-F2337 HydrophobicContact CG2-CE1 4.47Å; F2243-F2337 HydrophobicContact CB-CE2 4.28Å; F2243-F2337 AromaticContact CD1-CE2 3.97Å; F2243-F2337 HydrophobicContact CD1-CE2 3.97Å; F2243-F2337 HydrophobicContact CD1-CZ 4.33Å; I2244-F2337 WeakPolarHBondContact O-CD2 3.5Å; I2244-F2337 PolarHBondContact O-N 2.63Å; Q2245-F2337 CarbonylContact C-O 3.52Å; Q2245-F2337 WeakPolarHBondContact CA-O 3.44Å; Q2245-F2337 HydrophobicContact CB-CB 4.4Å; V2246-F2337 PolarHBondContact N-O 3.24Å; P2255-F2337 HydrophobicContact CG-CD2 4.47Å; P2255-F2337 HydrophobicContact CG-CE2 4.31Å; I2258-F2337 HydrophobicContact CD1-CE2 3.9Å; I2258-F2337 HydrophobicContact CD1-CZ 3.67Å
2338I87.1Confident73.9Confident5 Ų543.4 Ų43.43%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-103.2121.4-173.1-60.4169.6000109.8D2148 L2150D2148-I2338 PolarHBondContact O-N 2.87Å; L2150-I2338 HydrophobicContact CB-CD1 3.99Å; L2150-I2338 HydrophobicContact CD2-CD1 4.31Å
2339D82.7Confident73.4Confident36 Ų3643.8 Ų43.819%0.19322%0.219CC..PPolyproline II helixtrans-68.5138.5169.2-77.917.2000110.8R2192 Q2245 V2246 P2247 N2248R2192-D2339 PolarHBondContact NH1-O 2.96Å; R2192-D2339 VanDerWaalsContact NH1-O 3.08Å; Q2245-D2339 PolarHBondContact NE2-OD1 3.37Å; V2246-D2339 PolarHBondContact O-N 3.14Å; P2247-D2339 WeakPolarHBondContact CA-OD2 3.46Å; N2248-D2339 HydrophobicContact CB-CB 4.49Å; N2248-D2339 PolarHBondContact N-OD2 2.62Å; N2248-D2339 PolarHBondContact OD1-O 3.33Å
2340R77.6Confident72.8Confident90 Ų9044.4 Ų44.434%0.3422%0.223SC..PPolyproline II helixtrans-78.6132173.6-64.6-173.4-175-146.7-3.8112T2070 I2071 T2145 D2148 N2248T2070-R2340 CarbonylContact O-C 3.58Å; T2070-R2340 WeakPolarHBondContact O-CA 3.3Å; T2070-R2340 WeakPolarHBondContact O-CB 3.29Å; I2071-R2340 HydrophobicContact CG1-CG 4.01Å; T2145-R2340 PolarHBondContact OG1-NH2 2.88Å; D2148-R2340 VanDerWaalsContact OD1-CG 3.3Å; D2148-R2340 WeakPolarHBondContact OD1-CG 3.45Å; D2148-R2340 IonicContact OD1-CZ 3.82Å; D2148-R2340 IonicContact OD1-NE 4Å; D2148-R2340 PolarHBondContact OD1-NE 3.43Å; D2148-R2340 IonicContact OD1-NH2 2.76Å; D2148-R2340 PolarHBondContact OD1-NH2 3.13Å; D2148-R2340 IonicContact OD2-CZ 3.79Å; D2148-R2340 IonicContact OD2-NE 2.77Å; D2148-R2340 PolarHBondContact OD2-NE 2.93Å; D2148-R2340 IonicContact OD2-NH2 2.79Å; D2148-R2340 PolarHBondContact OD2-NH2 2.91Å; N2248-R2340 PolarHBondContact ND2-O 3.5Å; N2248-R2340 PolarHBondContact OD1-O 2.96Å
2341A68.7Low72Confident6 Ų648.8 Ų48.85%0.0524%0.236CC..BIsolated β-bridgetrans-72.5158178.400000112.5G2069 T2070 N2248G2069-A2341 CarbonylContact C-O 3.53Å; G2069-A2341 WeakPolarHBondContact CA-O 3.29Å; T2070-A2341 PolarHBondContact N-O 3.33Å; T2070-A2341 PolarHBondContact O-N 3.46Å; T2070-A2341 PolarHBondContact OG1-O 2.94Å; N2248-A2341 WeakPolarHBondContact OD1-CA 3.17Å; N2248-A2341 PolarHBondContact OD1-N 2.95Å
2342F65Low71.1Confident99 Ų9948.5 Ų48.543%0.43425%0.246SC..  trans-115.6136.8169.8-70.4-75.7000109.4S2344F2342-S2344 PolarHBondContact O-N 3.04Å
2343P61Low70.2Confident47 Ų4750.8 Ų50.831%0.30527%0.27SS..  trans-50.1130.2171.5-29.235.1000112F2345 L2346 A2347P2343-F2345 PolarHBondContact O-N 3.3Å; P2343-L2346 HydrophobicContact CG-CD1 4.46Å; P2343-L2346 WeakPolarHBondContact O-CA 3.3Å; P2343-L2346 WeakPolarHBondContact O-CB 3.3Å; P2343-L2346 PolarHBondContact O-N 3.22Å; P2343-A2347 PolarHBondContact O-N 3.2Å; P2343-A2347 VanDerWaalsContact O-N 3.17Å
2344S58.6Low69.2Low42 Ų4252.8 Ų52.829%0.29428%0.283SS..Hα-helixtrans-56.9-30.4-167.458.80000115N2197 N2199 F2342 A2347 K2348N2197-S2344 WeakPolarHBondContact O-CB 3.49Å; N2197-S2344 PolarHBondContact O-OG 3.35Å; N2199-S2344 WeakPolarHBondContact ND2-CB 3.45Å; F2342-S2344 PolarHBondContact O-N 3.04Å; S2344-A2347 PolarHBondContact O-N 3.46Å; S2344-K2348 WeakPolarHBondContact O-CB 3.43Å; S2344-K2348 PolarHBondContact O-N 3.14Å
2345F56.6Low68.4Low103 Ų10359 Ų5945%0.45232%0.315SS..Hα-helixtrans-57.1-47.2171.2173.4-101.6000112.1P2343 K2348 V2349P2343-F2345 PolarHBondContact O-N 3.3Å; F2345-K2348 PolarHBondContact O-N 3.17Å; F2345-V2349 HydrophobicContact CZ-CG2 4.44Å; F2345-V2349 WeakPolarHBondContact O-CG2 3.49Å; F2345-V2349 PolarHBondContact O-N 3.47Å
2346L59.8Low67.6Low17 Ų1762 Ų629%0.08934%0.34CS..Hα-helixtrans-67.7-45.4177.7-63.7179000110.6L2065 P2343 K2348 V2349 F2350L2065-L2346 HydrophobicContact CD1-CD2 3.94Å; L2065-L2346 HydrophobicContact CD2-CD1 4.47Å; L2065-L2346 HydrophobicContact CD2-CD2 4.1Å; L2065-L2346 HydrophobicContact CG-CD2 4.49Å; P2343-L2346 HydrophobicContact CG-CD1 4.46Å; P2343-L2346 WeakPolarHBondContact O-CA 3.3Å; P2343-L2346 WeakPolarHBondContact O-CB 3.3Å; P2343-L2346 PolarHBondContact O-N 3.22Å; L2346-K2348 PolarHBondContact O-N 3.01Å; L2346-V2349 PolarHBondContact O-N 3.36Å; L2346-V2349 VanDerWaalsContact O-N 3.13Å; L2346-F2350 HydrophobicContact CB-CD2 4.03Å; L2346-F2350 HydrophobicContact CB-CE2 3.95Å; L2346-F2350 HydrophobicContact CD2-CE2 4.27Å; L2346-F2350 WeakPolarHBondContact O-CB 3.28Å; L2346-F2350 WeakPolarHBondContact O-CD2 3.44Å; L2346-F2350 PolarHBondContact O-N 2.92Å
2347A59.8Low66.5Low32 Ų3266.1 Ų66.126%0.26437%0.365SS..Hα-helixtrans-57.9-34.717700000112.8P2343 S2344 K2351P2343-A2347 PolarHBondContact O-N 3.2Å; P2343-A2347 VanDerWaalsContact O-N 3.17Å; S2344-A2347 PolarHBondContact O-N 3.46Å; A2347-K2351 WeakPolarHBondContact O-CB 3.28Å; A2347-K2351 VanDerWaalsContact O-CG 3.24Å; A2347-K2351 WeakPolarHBondContact O-CG 3.28Å; A2347-K2351 PolarHBondContact O-N 3.47Å
2348K61.3Low65.7Low179 Ų17969.1 Ų69.178%0.77838%0.377SS*.Hα-helixtrans-75.2-33.1177.6-162170.1-174.1174.70113S2344 F2345 L2346S2344-K2348 WeakPolarHBondContact O-CB 3.43Å; S2344-K2348 PolarHBondContact O-N 3.14Å; F2345-K2348 PolarHBondContact O-N 3.17Å; L2346-K2348 PolarHBondContact O-N 3.01Å
2349V57.6Low65.3Low73 Ų7373.1 Ų73.144%0.44240%0.398SS..Hα-helixtrans-75.7-43.7174.8174.20000111.5F2345 L2346 K2351 G2352 V2354F2345-V2349 HydrophobicContact CZ-CG2 4.44Å; F2345-V2349 WeakPolarHBondContact O-CG2 3.49Å; F2345-V2349 PolarHBondContact O-N 3.47Å; L2346-V2349 PolarHBondContact O-N 3.36Å; L2346-V2349 VanDerWaalsContact O-N 3.13Å; V2349-K2351 VanDerWaalsContact C-N 3.32Å; V2349-K2351 PolarHBondContact O-N 3.04Å; V2349-G2352 WeakPolarHBondContact O-CA 3.49Å; V2349-G2352 PolarHBondContact O-N 3.06Å; V2349-V2354 HydrophobicContact CG1-CG2 4.39Å
2350F58.6Low65Low74 Ų7474.2 Ų74.233%0.32541%0.408SS..Hα-helixtrans-73.1-19.2-179.6-68.8-54.3000114.3W2062 L2065 L2346 G2352 V2354W2062-F2350 AromaticContact CD1-CE1 3.88Å; L2065-F2350 HydrophobicContact CB-CZ 4.49Å; L2346-F2350 HydrophobicContact CB-CD2 4.03Å; L2346-F2350 HydrophobicContact CB-CE2 3.95Å; L2346-F2350 HydrophobicContact CD2-CE2 4.27Å; L2346-F2350 WeakPolarHBondContact O-CB 3.28Å; L2346-F2350 WeakPolarHBondContact O-CD2 3.44Å; L2346-F2350 PolarHBondContact O-N 2.92Å; F2350-G2352 PolarHBondContact O-N 2.98Å; F2350-V2354 HydrophobicContact CD1-CG2 3.84Å; F2350-V2354 HydrophobicContact CE1-CG2 4.28Å
2351K58.9Low64.9Low156 Ų15672.7 Ų72.768%0.67841%0.409SS*.THydrogen-bonded Turntrans-69.3-9.2165.7-78.6174.9-179.9-178.20112.9A2347 V2349A2347-K2351 WeakPolarHBondContact O-CB 3.28Å; A2347-K2351 VanDerWaalsContact O-CG 3.24Å; A2347-K2351 WeakPolarHBondContact O-CG 3.28Å; A2347-K2351 PolarHBondContact O-N 3.47Å; V2349-K2351 VanDerWaalsContact C-N 3.32Å; V2349-K2351 PolarHBondContact O-N 3.04Å
2352G59.4Low65.5Low37 Ų3775 Ų7538%0.38142%0.42SS..SBendtrans-103.4155.2168.500000112.8V2349 F2350 V2354V2349-G2352 WeakPolarHBondContact O-CA 3.49Å; V2349-G2352 PolarHBondContact O-N 3.06Å; F2350-G2352 PolarHBondContact O-N 2.98Å; G2352-V2354 PolarHBondContact O-N 3.38Å
2353G64.1Low66.3Low50 Ų5075.9 Ų75.952%0.51543%0.429SS..  trans-70.185.8-179.300000113.4I2355 A2356 V2357G2353-I2355 PolarHBondContact O-N 3.17Å; G2353-I2355 VanDerWaalsContact O-N 3.13Å; G2353-A2356 WeakPolarHBondContact O-CA 3.24Å; G2353-A2356 WeakPolarHBondContact O-CB 3.17Å; G2353-A2356 PolarHBondContact O-N 3.5Å; G2353-V2357 PolarHBondContact O-N 3Å
2354V62.7Low67.2Low56 Ų5678.5 Ų78.534%0.33944%0.443SS..Hα-helixtrans-53.6-35.7-177.8-179.30000112.9V2349 F2350 G2352 A2356 V2357 Y2358V2349-V2354 HydrophobicContact CG1-CG2 4.39Å; F2350-V2354 HydrophobicContact CD1-CG2 3.84Å; F2350-V2354 HydrophobicContact CE1-CG2 4.28Å; G2352-V2354 PolarHBondContact O-N 3.38Å; V2354-A2356 PolarHBondContact O-N 3.26Å; V2354-V2357 PolarHBondContact O-N 2.9Å; V2354-Y2358 WeakPolarHBondContact O-CB 3.3Å; V2354-Y2358 PolarHBondContact O-N 3.29Å
2355I69.6Low68.1Low132 Ų13278 Ų7868%0.67744%0.438SS*.Hα-helixtrans-64.6-38.5175-63.9172.5000111.6G2353 Y2358 L2359G2353-I2355 PolarHBondContact O-N 3.17Å; G2353-I2355 VanDerWaalsContact O-N 3.13Å; I2355-Y2358 PolarHBondContact O-N 3.44Å; I2355-L2359 HydrophobicContact CG2-CD1 3.98Å; I2355-L2359 HydrophobicContact CG2-CG 4.43Å; I2355-L2359 WeakPolarHBondContact O-CB 3.45Å; I2355-L2359 VanDerWaalsContact O-CG 3.28Å; I2355-L2359 WeakPolarHBondContact O-CG 3.27Å; I2355-L2359 PolarHBondContact O-N 3.41Å
2356A71Confident69.1Low68 Ų6874.8 Ų74.856%0.56243%0.434SS*.Hα-helixtrans-69.9-37.7175.500000111.5G2353 V2354 S2360G2353-A2356 WeakPolarHBondContact O-CA 3.24Å; G2353-A2356 WeakPolarHBondContact O-CB 3.17Å; G2353-A2356 PolarHBondContact O-N 3.5Å; V2354-A2356 PolarHBondContact O-N 3.26Å; A2356-S2360 VanDerWaalsContact O-CB 3.28Å; A2356-S2360 WeakPolarHBondContact O-CB 3.39Å; A2356-S2360 PolarHBondContact O-N 3.26Å; A2356-S2360 PolarHBondContact O-OG 3.09Å
2357V66.9Low70Confident86 Ų8683.4 Ų83.452%0.52147%0.466SS..Hα-helixtrans-61.3-51.4172-179.70000110.2G2353 V2354 L2359 S2360 V2361G2353-V2357 PolarHBondContact O-N 3Å; V2354-V2357 PolarHBondContact O-N 2.9Å; V2357-L2359 PolarHBondContact O-N 2.93Å; V2357-S2360 PolarHBondContact O-N 3.09Å; V2357-S2360 VanDerWaalsContact O-N 3.16Å; V2357-S2360 PolarHBondContact O-OG 3.12Å; V2357-V2361 HydrophobicContact CG1-CG2 4.37Å; V2357-V2361 WeakPolarHBondContact O-CB 3.47Å; V2357-V2361 WeakPolarHBondContact O-CG2 3.41Å; V2357-V2361 PolarHBondContact O-N 3.3Å
2358Y72.8Confident70.5Confident63 Ų6384.3 Ų84.325%0.24748%0.478CS..Hα-helixtrans-55.9-48.8176.6171.5-106.1000112.9P2058 V2354 I2355 S2360 V2361 I2362P2058-Y2358 HydrophobicContact CB-CD2 3.64Å; P2058-Y2358 HydrophobicContact CB-CE2 3.99Å; P2058-Y2358 HydrophobicContact CG-CD2 3.9Å; P2058-Y2358 HydrophobicContact CG-CE2 4.09Å; V2354-Y2358 WeakPolarHBondContact O-CB 3.3Å; V2354-Y2358 PolarHBondContact O-N 3.29Å; I2355-Y2358 PolarHBondContact O-N 3.44Å; Y2358-S2360 PolarHBondContact O-N 3Å; Y2358-V2361 PolarHBondContact O-N 3Å; Y2358-I2362 HydrophobicContact CD2-CD1 4.06Å; Y2358-I2362 HydrophobicContact CE1-CD1 3.91Å; Y2358-I2362 HydrophobicContact CE2-CD1 3.41Å; Y2358-I2362 VanDerWaalsContact CE2-CD1 3.41Å; Y2358-I2362 HydrophobicContact CE2-CG1 4.31Å; Y2358-I2362 PolarHBondContact O-N 3.12Å; Y2358-I2362 WeakPolarHBondContact OH-CD1 3.42Å
2359L78.3Confident70.9Confident90 Ų9081 Ų8147%0.47147%0.468SS..Hα-helixtrans-63-41.2175.8-74171.3000111.7I2355 V2357 I2362 L2363I2355-L2359 HydrophobicContact CG2-CD1 3.98Å; I2355-L2359 HydrophobicContact CG2-CG 4.43Å; I2355-L2359 WeakPolarHBondContact O-CB 3.45Å; I2355-L2359 VanDerWaalsContact O-CG 3.28Å; I2355-L2359 WeakPolarHBondContact O-CG 3.27Å; I2355-L2359 PolarHBondContact O-N 3.41Å; V2357-L2359 PolarHBondContact O-N 2.93Å; L2359-I2362 PolarHBondContact O-N 3.25Å; L2359-L2363 VanDerWaalsContact O-CB 3.23Å; L2359-L2363 WeakPolarHBondContact O-CB 3.4Å; L2359-L2363 WeakPolarHBondContact O-CG 3.48Å; L2359-L2363 PolarHBondContact O-N 3.08Å
2360S77.6Confident71.8Confident58 Ų5880.5 Ų80.541%0.40647%0.465SS..Hα-helixtrans-63.5-41.9176.875.80000111.9A2356 V2357 Y2358 L2363 V2364A2356-S2360 VanDerWaalsContact O-CB 3.28Å; A2356-S2360 WeakPolarHBondContact O-CB 3.39Å; A2356-S2360 PolarHBondContact O-N 3.26Å; A2356-S2360 PolarHBondContact O-OG 3.09Å; V2357-S2360 PolarHBondContact O-N 3.09Å; V2357-S2360 VanDerWaalsContact O-N 3.16Å; V2357-S2360 PolarHBondContact O-OG 3.12Å; Y2358-S2360 PolarHBondContact O-N 3Å; S2360-L2363 PolarHBondContact O-N 2.84Å; S2360-V2364 VanDerWaalsContact O-CB 3.31Å; S2360-V2364 WeakPolarHBondContact O-CB 3.42Å; S2360-V2364 WeakPolarHBondContact O-CG2 3.44Å; S2360-V2364 PolarHBondContact O-N 3.13Å
2361V75.1Confident72.7Confident59 Ų5984.5 Ų84.536%0.35848%0.478SS..Hα-helixtrans-66.7-44.2178.8168.20000111.2F2054 V2357 Y2358 V2364 V2365F2054-V2361 HydrophobicContact CE1-CG1 4.12Å; F2054-V2361 HydrophobicContact CE2-CG1 4.39Å; F2054-V2361 HydrophobicContact CZ-CG1 3.49Å; F2054-V2361 VanDerWaalsContact CZ-CG1 3.49Å; V2357-V2361 HydrophobicContact CG1-CG2 4.37Å; V2357-V2361 WeakPolarHBondContact O-CB 3.47Å; V2357-V2361 WeakPolarHBondContact O-CG2 3.41Å; V2357-V2361 PolarHBondContact O-N 3.3Å; Y2358-V2361 PolarHBondContact O-N 3Å; V2361-V2364 PolarHBondContact O-N 3.41Å; V2361-V2365 PolarHBondContact O-N 2.79Å
2362I80.7Confident73.6Confident53 Ų5378 Ų7827%0.27246%0.455SS..Hα-helixtrans-67.6-37.4175-74.2-175.5000111.8F2054 Y2358 L2359 G2366F2054-I2362 HydrophobicContact CE1-CG1 4.49Å; Y2358-I2362 HydrophobicContact CD2-CD1 4.06Å; Y2358-I2362 HydrophobicContact CE1-CD1 3.91Å; Y2358-I2362 HydrophobicContact CE2-CD1 3.41Å; Y2358-I2362 VanDerWaalsContact CE2-CD1 3.41Å; Y2358-I2362 HydrophobicContact CE2-CG1 4.31Å; Y2358-I2362 PolarHBondContact O-N 3.12Å; Y2358-I2362 WeakPolarHBondContact OH-CD1 3.42Å; L2359-I2362 PolarHBondContact O-N 3.25Å; I2362-G2366 WeakPolarHBondContact O-CA 3.41Å; I2362-G2366 PolarHBondContact O-N 2.96Å
2363L81.8Confident74.3Confident119 Ų11981.6 Ų81.662%0.62347%0.465SS*.Hα-helixtrans-68.9-39.7175.1-73.8169.2000111.8L2359 S2360 R2367L2359-L2363 VanDerWaalsContact O-CB 3.23Å; L2359-L2363 WeakPolarHBondContact O-CB 3.4Å; L2359-L2363 WeakPolarHBondContact O-CG 3.48Å; L2359-L2363 PolarHBondContact O-N 3.08Å; S2360-L2363 PolarHBondContact O-N 2.84Å; L2363-R2367 WeakPolarHBondContact O-CA 3.33Å; L2363-R2367 WeakPolarHBondContact O-CB 3.43Å; L2363-R2367 PolarHBondContact O-N 3.46Å
2364V80.7Confident75Confident101 Ų10186.7 Ų86.761%0.61247%0.473SS*.Hα-helixtrans-65.6-47.2176.4165.60000111.2S2360 V2361 G2368S2360-V2364 VanDerWaalsContact O-CB 3.31Å; S2360-V2364 WeakPolarHBondContact O-CB 3.42Å; S2360-V2364 WeakPolarHBondContact O-CG2 3.44Å; S2360-V2364 PolarHBondContact O-N 3.13Å; V2361-V2364 PolarHBondContact O-N 3.41Å; V2364-G2368 WeakPolarHBondContact O-CA 3.48Å; V2364-G2368 PolarHBondContact O-N 3.45Å
2365V77.2Confident75.8Confident31 Ų3187.7 Ų87.719%0.18848%0.479CS..Iπ-helixtrans-73.7-39.4178.8171.60000111.9F2054 V2361 L2369 V2370F2054-V2365 HydrophobicContact CD1-CG1 4.15Å; F2054-V2365 HydrophobicContact CE1-CB 3.67Å; F2054-V2365 HydrophobicContact CE1-CG1 3.77Å; F2054-V2365 HydrophobicContact CE1-CG2 3.81Å; F2054-V2365 HydrophobicContact CE2-CG2 4.03Å; F2054-V2365 HydrophobicContact CZ-CB 3.77Å; F2054-V2365 HydrophobicContact CZ-CG1 4.04Å; F2054-V2365 HydrophobicContact CZ-CG2 3.32Å; V2361-V2365 PolarHBondContact O-N 2.79Å; V2365-L2369 HydrophobicContact CG1-CB 4.44Å; V2365-L2369 HydrophobicContact CG1-CD1 4.28Å; V2365-L2369 HydrophobicContact CG2-CD1 4.09Å; V2365-L2369 PolarHBondContact O-N 2.68Å; V2365-V2370 HydrophobicContact CG1-CG2 4.25Å; V2365-V2370 PolarHBondContact O-N 3.05Å
2366G78.2Confident76.1Confident36 Ų3684.9 Ų84.937%0.37147%0.469SS..Iπ-helixtrans-66.5-45.5177.400000113.3I2362 R2371I2362-G2366 WeakPolarHBondContact O-CA 3.41Å; I2362-G2366 PolarHBondContact O-N 2.96Å; G2366-R2371 WeakPolarHBondContact O-CB 3.49Å; G2366-R2371 PolarHBondContact O-N 3.34Å
2367R78.6Confident76.4Confident199 Ų19984.9 Ų84.975%0.75146%0.464SS*.Iπ-helixtrans-85.3-39.9-179.1-171.1-177.4172.2107.40.6113L2363L2363-R2367 WeakPolarHBondContact O-CA 3.33Å; L2363-R2367 WeakPolarHBondContact O-CB 3.43Å; L2363-R2367 PolarHBondContact O-N 3.46Å
2368G70Confident77.1Confident50 Ų5085.2 Ų85.252%0.51547%0.468SS..Iπ-helixtrans-83.1-59-175.200000113V2364 G2372V2364-G2368 WeakPolarHBondContact O-CA 3.48Å; V2364-G2368 PolarHBondContact O-N 3.45Å; G2368-G2372 WeakPolarHBondContact O-CA 3.32Å; G2368-G2372 PolarHBondContact O-N 2.8Å
2369L69.6Low77.5Confident109 Ų10986.1 Ų86.157%0.57148%0.484SS*.Iπ-helixtrans-81.5-65.5-176.8-65.5176.7000112.2V2365 G2372 I2373V2365-L2369 HydrophobicContact CG1-CB 4.44Å; V2365-L2369 HydrophobicContact CG1-CD1 4.28Å; V2365-L2369 HydrophobicContact CG2-CD1 4.09Å; V2365-L2369 PolarHBondContact O-N 2.68Å; L2369-G2372 PolarHBondContact O-N 3.42Å; L2369-I2373 WeakPolarHBondContact O-CD1 3.42Å; L2369-I2373 VanDerWaalsContact O-CG1 3.32Å; L2369-I2373 WeakPolarHBondContact O-CG1 3.36Å; L2369-I2373 PolarHBondContact O-N 3.48Å
2370V75.7Confident77.8Confident64 Ų6484.2 Ų84.239%0.38848%0.476SS..Iπ-helixtrans-65-55.5-170.11800000110.9V2365 G2372 F2374V2365-V2370 HydrophobicContact CG1-CG2 4.25Å; V2365-V2370 PolarHBondContact O-N 3.05Å; V2370-G2372 VanDerWaalsContact C-N 3.33Å; V2370-G2372 PolarHBondContact O-N 3.16Å; V2370-F2374 HydrophobicContact CG1-CD2 4.15Å; V2370-F2374 HydrophobicContact CG1-CE2 4.08Å; V2370-F2374 WeakPolarHBondContact O-CD2 3.06Å; V2370-F2374 PolarHBondContact O-N 3.4Å
2371R78.7Confident78.2Confident157 Ų15784.8 Ų84.859%0.59248%0.477SS*.Hα-helixtrans-64.1-38.5176.4-176.4175.5-177.7139.71.4111.6G2366 I2373 F2374 T2375G2366-R2371 WeakPolarHBondContact O-CB 3.49Å; G2366-R2371 PolarHBondContact O-N 3.34Å; R2371-I2373 PolarHBondContact O-N 3.14Å; R2371-F2374 PolarHBondContact O-N 3.01Å; R2371-T2375 HydrophobicContact CG-CG2 3.72Å; R2371-T2375 WeakPolarHBondContact O-CB 3.31Å; R2371-T2375 PolarHBondContact O-N 2.88Å; R2371-T2375 PolarHBondContact O-OG1 3.45Å
2372G76.4Confident78.7Confident19 Ų1985.5 Ų85.520%0.19648%0.477CS..Hα-helixtrans-52.3-54.617700000112.4G2368 L2369 V2370 F2374 T2375 T2376G2368-G2372 WeakPolarHBondContact O-CA 3.32Å; G2368-G2372 PolarHBondContact O-N 2.8Å; L2369-G2372 PolarHBondContact O-N 3.42Å; V2370-G2372 VanDerWaalsContact C-N 3.33Å; V2370-G2372 PolarHBondContact O-N 3.16Å; G2372-F2374 PolarHBondContact O-N 3.2Å; G2372-T2375 PolarHBondContact O-N 3.04Å; G2372-T2376 WeakPolarHBondContact O-CB 3.27Å; G2372-T2376 WeakPolarHBondContact O-CG2 3.31Å; G2372-T2376 PolarHBondContact O-N 2.92Å; G2372-T2376 PolarHBondContact O-OG1 3.28Å
2373I74.7Confident78.8Confident114 Ų11485.7 Ų85.759%0.58548%0.476SS*.Hα-helixtrans-56.3-48.1178.6-67.4162.7000111.4L2369 R2371L2369-I2373 WeakPolarHBondContact O-CD1 3.42Å; L2369-I2373 VanDerWaalsContact O-CG1 3.32Å; L2369-I2373 WeakPolarHBondContact O-CG1 3.36Å; L2369-I2373 PolarHBondContact O-N 3.48Å; R2371-I2373 PolarHBondContact O-N 3.14Å
2374F78.5Confident78.9Confident156 Ų15682.3 Ų82.368%0.68446%0.46SS*.Hα-helixtrans-76.9-28.2-176.2-68.2-61.4000114.6V2370 R2371 G2372V2370-F2374 HydrophobicContact CG1-CD2 4.15Å; V2370-F2374 HydrophobicContact CG1-CE2 4.08Å; V2370-F2374 WeakPolarHBondContact O-CD2 3.06Å; V2370-F2374 PolarHBondContact O-N 3.4Å; R2371-F2374 PolarHBondContact O-N 3.01Å; G2372-F2374 PolarHBondContact O-N 3.2Å
2375T79.6Confident79.2Confident78 Ų7883.3 Ų83.348%0.47946%0.458SS..Hα-helixtrans-94.3-20.3-17961.10000114.8R2371 G2372R2371-T2375 HydrophobicContact CG-CG2 3.72Å; R2371-T2375 WeakPolarHBondContact O-CB 3.31Å; R2371-T2375 PolarHBondContact O-N 2.88Å; R2371-T2375 PolarHBondContact O-OG1 3.45Å; G2372-T2375 PolarHBondContact O-N 3.04Å
2376T75.3Confident79.7Confident73 Ų7382.1 Ų82.145%0.44845%0.451SS..Hα-helixtrans-86.2-23.9175.357.20000113.1G2372 S2379 T2380G2372-T2376 WeakPolarHBondContact O-CB 3.27Å; G2372-T2376 WeakPolarHBondContact O-CG2 3.31Å; G2372-T2376 PolarHBondContact O-N 2.92Å; G2372-T2376 PolarHBondContact O-OG1 3.28Å; T2376-S2379 PolarHBondContact O-N 3.42Å; T2376-S2379 PolarHBondContact O-OG 2.97Å; T2376-T2380 PolarHBondContact O-N 3.12Å; T2376-T2380 VanDerWaalsContact O-N 3.16Å; T2376-T2380 PolarHBondContact O-OG1 3Å
2377S77.5Confident80Confident68 Ų6883.5 Ų83.548%0.47645%0.453SS..Hα-helixtrans-55.3-47.1178.9172.40000113.3S2379 T2380 V2381S2377-S2379 VanDerWaalsContact C-N 3.33Å; S2377-S2379 PolarHBondContact O-N 2.95Å; S2377-T2380 WeakPolarHBondContact CA-OG1 3.48Å; S2377-T2380 PolarHBondContact O-N 2.88Å; S2377-T2380 PolarHBondContact O-OG1 3.28Å; S2377-V2381 WeakPolarHBondContact O-CG2 3.23Å; S2377-V2381 PolarHBondContact O-N 2.9Å
2378P82.4Confident80.3Confident93 Ų9375 Ų7560%0.60442%0.423SS*.Hα-helixtrans-62.3-33.6177.9-2636.4000114.9T2380P2378-T2380 VanDerWaalsContact C-N 3.34Å
2379S81.5Confident81.1Confident81 Ų8172.7 Ų72.757%0.56640%0.399SS*.Hα-helixtrans-79.4-16.6179.439.30000113.3T2376 S2377T2376-S2379 PolarHBondContact O-N 3.42Å; T2376-S2379 PolarHBondContact O-OG 2.97Å; S2377-S2379 VanDerWaalsContact C-N 3.33Å; S2377-S2379 PolarHBondContact O-N 2.95Å
2380T84.5Confident81.7Confident51 Ų5169.5 Ų69.531%0.31338%0.382SS..Hα-helixtrans-96.9-9.3178.247.40000114T2376 S2377 P2378 M2382 F2383 T2384T2376-T2380 PolarHBondContact O-N 3.12Å; T2376-T2380 VanDerWaalsContact O-N 3.16Å; T2376-T2380 PolarHBondContact O-OG1 3Å; S2377-T2380 WeakPolarHBondContact CA-OG1 3.48Å; S2377-T2380 PolarHBondContact O-N 2.88Å; S2377-T2380 PolarHBondContact O-OG1 3.28Å; P2378-T2380 VanDerWaalsContact C-N 3.34Å; T2380-M2382 PolarHBondContact O-N 3.49Å; T2380-M2382 VanDerWaalsContact O-N 3.11Å; T2380-F2383 PolarHBondContact O-N 2.96Å; T2380-T2384 PolarHBondContact O-N 2.9Å; T2380-T2384 PolarHBondContact O-OG1 3.17Å
2381V85.3Confident82Confident69 Ų6967 Ų6742%0.41837%0.366SS..Hα-helixtrans-49.3-41.9-179.6177.80000112.8S2377 F2383 T2384 E2385S2377-V2381 WeakPolarHBondContact O-CG2 3.23Å; S2377-V2381 PolarHBondContact O-N 2.9Å; V2381-F2383 PolarHBondContact O-N 3.09Å; V2381-F2383 VanDerWaalsContact O-N 3.13Å; V2381-T2384 WeakPolarHBondContact CA-OG1 3.35Å; V2381-T2384 PolarHBondContact O-N 2.72Å; V2381-E2385 HydrophobicContact CG1-CB 4.26Å; V2381-E2385 HydrophobicContact CG1-CG 4.18Å; V2381-E2385 PolarHBondContact O-N 2.93Å
2382M85.2Confident82.4Confident74 Ų7459.5 Ų59.537%0.36534%0.338SS..Hα-helixtrans-61.1-20.7179.863.7171.2-67.700114.3T2380 P2425 L2428T2380-M2382 PolarHBondContact O-N 3.49Å; T2380-M2382 VanDerWaalsContact O-N 3.11Å; M2382-P2425 HydrophobicContact CE-CB 4.03Å; M2382-P2425 HydrophobicContact CE-CG 3.69Å; M2382-L2428 VanDerWaalsContact O-CD2 3.31Å; M2382-L2428 WeakPolarHBondContact O-CD2 3.38Å
2383F84.2Confident82.9Confident58 Ų5859 Ų5925%0.25433%0.331SS..Hα-helixtrans-106.8-25.9176.4-52.7-61.5000112.6H2013 I2017 T2380 V2381 L2386 F2422 L2428H2013-F2383 PolarHBondContact CE1-O 3.1Å; I2017-F2383 WeakPolarHBondContact CD1-O 3.29Å; T2380-F2383 PolarHBondContact O-N 2.96Å; V2381-F2383 PolarHBondContact O-N 3.09Å; V2381-F2383 VanDerWaalsContact O-N 3.13Å; F2383-L2386 WeakPolarHBondContact O-CD1 3.47Å; F2383-F2422 AromaticContact CD1-CD1 3.71Å; F2383-F2422 HydrophobicContact CD1-CD1 3.71Å; F2383-F2422 HydrophobicContact CD1-CE1 4.02Å; F2383-F2422 AromaticContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CE1 4.47Å; F2383-L2428 HydrophobicContact CD1-CD2 4.15Å; F2383-L2428 HydrophobicContact CE1-CD2 4.47Å
2384T84Confident83.2Confident48 Ų4855 Ų5529%0.29431%0.309SS..Hα-helixtrans-89.8-36.2-175.355.60000113.6T2380 V2381 L2386T2380-T2384 PolarHBondContact O-N 2.9Å; T2380-T2384 PolarHBondContact O-OG1 3.17Å; V2381-T2384 WeakPolarHBondContact CA-OG1 3.35Å; V2381-T2384 PolarHBondContact O-N 2.72Å; T2384-L2386 VanDerWaalsContact C-N 3.26Å; T2384-L2386 PolarHBondContact O-N 3.46Å
2385E85.5Confident83.5Confident122 Ų12247.9 Ų47.957%0.5728%0.278SS*.  trans-93.241.3-176.3-67.2-65.1-18000113.4R2021 V2381R2021-E2385 IonicContact CZ-OE2 3.37Å; R2021-E2385 IonicContact NH1-OE2 3.86Å; R2021-E2385 IonicContact NH2-OE2 2.74Å; R2021-E2385 PolarHBondContact NH2-OE2 2.93Å; V2381-E2385 HydrophobicContact CG1-CB 4.26Å; V2381-E2385 HydrophobicContact CG1-CG 4.18Å; V2381-E2385 PolarHBondContact O-N 2.93Å
2386L88Confident83.9Confident6 Ų644.1 Ų44.13%0.03126%0.255CS..  trans-74.8129.1171.1-55.4177.7000109.2I2017 R2021 F2383 T2384 L2392 L2428 T2432I2017-L2386 HydrophobicContact CD1-CD1 4.18Å; R2021-L2386 PolarHBondContact NE-O 3.45Å; R2021-L2386 PolarHBondContact NH2-O 3.31Å; R2021-L2386 VanDerWaalsContact NH2-O 3.1Å; F2383-L2386 WeakPolarHBondContact O-CD1 3.47Å; T2384-L2386 VanDerWaalsContact C-N 3.26Å; T2384-L2386 PolarHBondContact O-N 3.46Å; L2386-L2392 HydrophobicContact CD1-CD1 3.54Å; L2386-L2428 HydrophobicContact CD1-CD1 4.22Å; L2386-L2428 HydrophobicContact CD2-CD1 3.98Å; L2386-L2428 HydrophobicContact CD2-CD2 4.2Å; L2386-L2428 HydrophobicContact CD2-CG 3.91Å; L2386-T2432 HydrophobicContact CD1-CG2 4.45Å; L2386-T2432 HydrophobicContact CD2-CG2 4.27Å
2387P85.2Confident84.2Confident64 Ų6443.3 Ų43.342%0.41625%0.248SC..SBendtrans-84.9-36.6-176.727.8-26.2000112.6T2432 M2434P2387-T2432 WeakPolarHBondContact CD-O 3.43Å; P2387-T2432 VanDerWaalsContact CG-O 3.31Å; P2387-T2432 WeakPolarHBondContact CG-O 3.4Å; P2387-M2434 HydrophobicContact CB-CG 4.1Å
2388N84.3Confident84.4Confident21 Ų2141.4 Ų41.411%0.11223%0.233CC..  trans-119.3120.8165.8-176.78.2000110.2D2390 H2391 T2432 M2434N2388-D2390 VanDerWaalsContact OD1-CB 3.27Å; N2388-D2390 WeakPolarHBondContact OD1-CB 3.42Å; N2388-D2390 VanDerWaalsContact OD1-CG 3.25Å; N2388-D2390 PolarHBondContact OD1-N 3.49Å; N2388-D2390 PolarHBondContact OD1-OD1 3.4Å; N2388-H2391 PolarHBondContact ND2-CD2 3.03Å; N2388-H2391 VanDerWaalsContact ND2-CD2 3.35Å; N2388-H2391 PolarHBondContact ND2-NE2 3.19Å; N2388-H2391 VanDerWaalsContact ND2-NE2 3.16Å; N2388-T2432 WeakPolarHBondContact CB-O 3.28Å; N2388-T2432 PolarHBondContact N-O 2.97Å; N2388-T2432 WeakPolarHBondContact O-CB 3.41Å; N2388-T2432 WeakPolarHBondContact O-CG2 3.05Å; N2388-M2434 HydrophobicContact CB-SD 4.01Å
2389A86.5Confident84.7Confident2 Ų237 Ų372%0.01720%0.204CC..  trans-98.8-4.7179.500000113.4I2014 I2017 H2391 L2392 L2393I2014-A2389 HydrophobicContact CG2-CB 4.36Å; I2017-A2389 HydrophobicContact CB-CB 4.42Å; I2017-A2389 HydrophobicContact CG2-CB 4.03Å; A2389-H2391 PolarHBondContact O-N 2.81Å; A2389-L2392 WeakPolarHBondContact O-CB 3.42Å; A2389-L2392 PolarHBondContact O-N 3.33Å; A2389-L2393 PolarHBondContact O-N 3.37Å
2390D82.7Confident84.7Confident41 Ų4134.5 Ų34.522%0.21918%0.182CC..Hα-helixtrans-71.9-35.9-162.5-64.55.7000112.5L1413 K2018 N2388 L2392 L2393 K2394L1413-D2390 HydrophobicContact CD2-CB 3.86Å; K2018-D2390 WeakPolarHBondContact CD-OD1 3.49Å; K2018-D2390 WeakPolarHBondContact CE-OD1 3.32Å; K2018-D2390 IonicContact NZ-OD1 2.66Å; K2018-D2390 PolarHBondContact NZ-OD1 3.34Å; K2018-D2390 IonicContact NZ-OD2 2.76Å; K2018-D2390 PolarHBondContact NZ-OD2 2.88Å; N2388-D2390 VanDerWaalsContact OD1-CB 3.27Å; N2388-D2390 WeakPolarHBondContact OD1-CB 3.42Å; N2388-D2390 VanDerWaalsContact OD1-CG 3.25Å; N2388-D2390 PolarHBondContact OD1-N 3.49Å; N2388-D2390 PolarHBondContact OD1-OD1 3.4Å; D2390-L2392 VanDerWaalsContact C-N 3.32Å; D2390-L2392 PolarHBondContact O-N 2.92Å; D2390-L2393 PolarHBondContact O-N 3.24Å; D2390-K2394 WeakPolarHBondContact O-CB 3.45Å; D2390-K2394 PolarHBondContact O-N 2.8Å
2391H82.1Confident84.4Confident11 Ų1132.8 Ų32.85%0.05117%0.171CC..Hα-helixtrans-64.8-35.7175.3-53.9-78000112N2388 A2389 I2395 W2431N2388-H2391 PolarHBondContact ND2-CD2 3.03Å; N2388-H2391 VanDerWaalsContact ND2-CD2 3.35Å; N2388-H2391 PolarHBondContact ND2-NE2 3.19Å; N2388-H2391 VanDerWaalsContact ND2-NE2 3.16Å; A2389-H2391 PolarHBondContact O-N 2.81Å; H2391-I2395 PolarHBondContact O-N 3.21Å; H2391-W2431 HydrophobicContact CB-CD2 4.14Å; H2391-W2431 HydrophobicContact CB-CE3 3.63Å; H2391-W2431 HydrophobicContact CB-CH2 3.62Å; H2391-W2431 HydrophobicContact CB-CZ2 4.11Å; H2391-W2431 HydrophobicContact CB-CZ3 3.38Å; H2391-W2431 VanDerWaalsContact O-CH2 3.26Å; H2391-W2431 WeakPolarHBondContact O-CH2 3.42Å; H2391-W2431 VanDerWaalsContact O-CZ3 3.25Å; H2391-W2431 WeakPolarHBondContact O-CZ3 3.11Å
2392L87.4Confident84.4Confident0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-70.6-42.3174.6-62.9172.5000111.4I2014 L2386 A2389 D2390 K2394 I2395 C2396 L2421 L2428 W2431 T2432I2014-L2392 HydrophobicContact CD1-CB 3.81Å; I2014-L2392 HydrophobicContact CG1-CB 4.08Å; I2014-L2392 HydrophobicContact CG1-CD1 4.44Å; I2014-L2392 HydrophobicContact CG2-CB 4.08Å; L2386-L2392 HydrophobicContact CD1-CD1 3.54Å; A2389-L2392 WeakPolarHBondContact O-CB 3.42Å; A2389-L2392 PolarHBondContact O-N 3.33Å; D2390-L2392 VanDerWaalsContact C-N 3.32Å; D2390-L2392 PolarHBondContact O-N 2.92Å; L2392-K2394 VanDerWaalsContact C-N 3.27Å; L2392-K2394 PolarHBondContact O-N 3.28Å; L2392-I2395 PolarHBondContact O-N 2.9Å; L2392-C2396 PolarHBondContact O-N 3.08Å; L2392-L2421 HydrophobicContact CD2-CD1 3.58Å; L2392-L2421 HydrophobicContact CD2-CD2 3.81Å; L2392-L2421 HydrophobicContact CD2-CG 4.33Å; L2392-L2428 HydrophobicContact CD1-CD1 3.93Å; L2392-L2428 HydrophobicContact CD2-CD1 4.29Å; L2392-W2431 HydrophobicContact CD2-CE3 4.12Å; L2392-W2431 HydrophobicContact CD2-CZ3 4.04Å; L2392-W2431 HydrophobicContact CG-CZ3 4.48Å; L2392-T2432 HydrophobicContact CD1-CG2 3.78Å; L2392-T2432 HydrophobicContact CG-CG2 4.09Å
2393L85.6Confident84.4Confident9 Ų926.7 Ų26.75%0.04714%0.137CC..Hα-helixtrans-61.9-38.9176.9-174.260.7000111Y1966 Y2011 I2014 K2018 A2389 D2390 C2396 L2397Y1966-L2393 HydrophobicContact CE1-CD2 3.85Å; Y2011-L2393 HydrophobicContact CD2-CD1 3.99Å; Y2011-L2393 HydrophobicContact CE2-CD1 3.61Å; I2014-L2393 HydrophobicContact CG2-CB 3.78Å; I2014-L2393 HydrophobicContact CG2-CD1 4.17Å; K2018-L2393 HydrophobicContact CB-CD2 4.43Å; K2018-L2393 HydrophobicContact CG-CD2 4.12Å; A2389-L2393 PolarHBondContact O-N 3.37Å; D2390-L2393 PolarHBondContact O-N 3.24Å; L2393-C2396 PolarHBondContact O-N 2.95Å; L2393-L2397 HydrophobicContact CG-CD1 4.2Å; L2393-L2397 WeakPolarHBondContact O-CG 3.45Å; L2393-L2397 PolarHBondContact O-N 3.13Å
2394K81.5Confident84.1Confident29 Ų2926.7 Ų26.713%0.12614%0.137CC..Hα-helixtrans-58-49.5173.8179.6171.3168.5178.30112D1411 D1412 D2390 L2392 C2396 L2397 D2398D1411-K2394 PolarHBondContact O-NZ 3.03Å; D1411-K2394 IonicContact OD1-NZ 2.66Å; D1411-K2394 PolarHBondContact OD1-NZ 2.84Å; D1412-K2394 PolarHBondContact O-NZ 2.98Å; D2390-K2394 WeakPolarHBondContact O-CB 3.45Å; D2390-K2394 PolarHBondContact O-N 2.8Å; L2392-K2394 VanDerWaalsContact C-N 3.27Å; L2392-K2394 PolarHBondContact O-N 3.28Å; K2394-C2396 VanDerWaalsContact C-N 3.31Å; K2394-C2396 PolarHBondContact O-N 3.01Å; K2394-L2397 PolarHBondContact O-N 3.25Å; K2394-L2397 VanDerWaalsContact O-N 3.12Å; K2394-D2398 WeakPolarHBondContact O-CB 3.2Å; K2394-D2398 PolarHBondContact O-N 3.02Å
2395I85.1Confident83.9Confident7 Ų726.8 Ų26.84%0.03614%0.143CC..Hα-helixtrans-57.3-42.8175-69.7177.2000111.8H2391 L2392 D2398 I2399 K2417 L2418 L2421 W2431H2391-I2395 PolarHBondContact O-N 3.21Å; L2392-I2395 PolarHBondContact O-N 2.9Å; I2395-D2398 PolarHBondContact O-N 2.69Å; I2395-I2399 HydrophobicContact CG2-CD1 3.97Å; I2395-I2399 WeakPolarHBondContact O-CG1 3.38Å; I2395-I2399 PolarHBondContact O-N 2.89Å; I2395-K2417 HydrophobicContact CD1-CD 4.26Å; I2395-K2417 HydrophobicContact CD1-CG 4.26Å; I2395-L2418 HydrophobicContact CB-CD1 4.47Å; I2395-L2418 HydrophobicContact CG2-CB 4.09Å; I2395-L2418 HydrophobicContact CG2-CD1 4.01Å; I2395-L2418 HydrophobicContact CG2-CG 4.48Å; I2395-L2421 HydrophobicContact CD1-CD1 4.28Å; I2395-W2431 HydrophobicContact CD1-CH2 3.37Å; I2395-W2431 HydrophobicContact CD1-CZ2 4.26Å; I2395-W2431 HydrophobicContact CD1-CZ3 3.73Å; I2395-W2431 HydrophobicContact CG1-CH2 3.83Å; I2395-W2431 HydrophobicContact CG1-CZ3 4.38Å
2396C87.6Confident83.8Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-64.2-41177.5-63.80000112.3Y2011 L2392 L2393 K2394 I2399 Y2400Y2011-C2396 HydrophobicContact CD2-CB 3.66Å; Y2011-C2396 HydrophobicContact CE2-CB 4.49Å; Y2011-C2396 HydrophobicContact CG-CB 4.42Å; L2392-C2396 PolarHBondContact O-N 3.08Å; L2393-C2396 PolarHBondContact O-N 2.95Å; K2394-C2396 VanDerWaalsContact C-N 3.31Å; K2394-C2396 PolarHBondContact O-N 3.01Å; C2396-I2399 PolarHBondContact O-N 3.03Å; C2396-Y2400 WeakPolarHBondContact O-CD2 3.41Å; C2396-Y2400 PolarHBondContact O-N 2.89Å
2397L81.6Confident83.6Confident56 Ų5627.6 Ų27.629%0.29315%0.145SC..Hα-helixtrans-66.5-39.2175.5-68.8172.4000112.2Y2011 L2393 K2394 I2399 Y2400 L2401Y2011-L2397 HydrophobicContact CE2-CD2 4.45Å; L2393-L2397 HydrophobicContact CG-CD1 4.2Å; L2393-L2397 WeakPolarHBondContact O-CG 3.45Å; L2393-L2397 PolarHBondContact O-N 3.13Å; K2394-L2397 PolarHBondContact O-N 3.25Å; K2394-L2397 VanDerWaalsContact O-N 3.12Å; L2397-I2399 VanDerWaalsContact C-N 3.35Å; L2397-I2399 PolarHBondContact O-N 2.06Å; L2397-Y2400 PolarHBondContact O-N 3.4Å; L2397-L2401 WeakPolarHBondContact O-CB 3.08Å; L2397-L2401 PolarHBondContact O-N 3Å
2398D83Confident83.7Confident28 Ų2827.8 Ų27.815%0.1514%0.14CC..Hα-helixtrans-62.4-40.7174.8-67.8-26000110.8I1370 K2394 I2395 L2401 V2402 L2414I1370-D2398 HydrophobicContact CD1-CB 4.04Å; I1370-D2398 WeakPolarHBondContact CD1-OD1 3.39Å; K2394-D2398 WeakPolarHBondContact O-CB 3.2Å; K2394-D2398 PolarHBondContact O-N 3.02Å; I2395-D2398 PolarHBondContact O-N 2.69Å; D2398-L2401 PolarHBondContact O-N 3.31Å; D2398-V2402 VanDerWaalsContact O-CB 3.25Å; D2398-V2402 WeakPolarHBondContact O-CB 3.44Å; D2398-V2402 WeakPolarHBondContact O-CG2 3.43Å; D2398-V2402 PolarHBondContact O-N 2.9Å; D2398-L2414 HydrophobicContact CB-CD1 4.15Å
2399I87.2Confident83.8Confident0 Ų033.7 Ų33.70%017%0.168CC..Hα-helixtrans-61-44.5173.6-69.7164.7000111.7M1999 M2007 I2395 C2396 L2397 R2403 E2411 L2414 F2415 L2418M1999-I2399 HydrophobicContact CE-CG2 4.07Å; M2007-I2399 HydrophobicContact CE-CG2 4.16Å; M2007-I2399 HydrophobicContact CG-CD1 4.4Å; M2007-I2399 HydrophobicContact CG-CG2 4.37Å; M2007-I2399 HydrophobicContact SD-CG2 4.34Å; I2395-I2399 HydrophobicContact CG2-CD1 3.97Å; I2395-I2399 WeakPolarHBondContact O-CG1 3.38Å; I2395-I2399 PolarHBondContact O-N 2.89Å; C2396-I2399 PolarHBondContact O-N 3.03Å; L2397-I2399 VanDerWaalsContact C-N 3.35Å; L2397-I2399 PolarHBondContact O-N 2.06Å; I2399-R2403 WeakPolarHBondContact O-CB 3.44Å; I2399-R2403 PolarHBondContact O-N 3.46Å; I2399-E2411 HydrophobicContact CG2-CG 4.47Å; I2399-L2414 HydrophobicContact CD1-CB 4.21Å; I2399-L2414 HydrophobicContact CG1-CB 3.62Å; I2399-L2414 HydrophobicContact CG1-CD1 4.36Å; I2399-F2415 HydrophobicContact CD1-CB 4.32Å; I2399-L2418 HydrophobicContact CD1-CD2 4.21Å
2400Y83Confident83.7Confident28 Ų2833.9 Ų33.911%0.1117%0.169CC..Hα-helixtrans-64.5-40.1176-67.6-64.8000112.3I1958 M2007 E2008 Y2011 C2396 L2397 R2403 E2404I1958-Y2400 WeakPolarHBondContact CD1-O 3.21Å; I1958-Y2400 HydrophobicContact CG2-CG 4.48Å; M2007-Y2400 HydrophobicContact CE-CD1 4.24Å; M2007-Y2400 HydrophobicContact CE-CE1 3.63Å; M2007-Y2400 HydrophobicContact SD-CE1 4.46Å; E2008-Y2400 PolarHBondContact OE1-OH 3.27Å; Y2011-Y2400 HydrophobicContact CD1-CE2 4.17Å; Y2011-Y2400 VanDerWaalsContact CD1-OH 3.31Å; Y2011-Y2400 WeakPolarHBondContact CD1-OH 3.42Å; Y2011-Y2400 AromaticContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CD2-CE2 3.93Å; Y2011-Y2400 HydrophobicContact CE1-CE2 4.29Å; Y2011-Y2400 HydrophobicContact CE2-CE2 4.03Å; Y2011-Y2400 AromaticContact CG-CE2 3.99Å; Y2011-Y2400 HydrophobicContact CG-CE2 3.99Å; C2396-Y2400 WeakPolarHBondContact O-CD2 3.41Å; C2396-Y2400 PolarHBondContact O-N 2.89Å; L2397-Y2400 PolarHBondContact O-N 3.4Å; Y2400-R2403 WeakPolarHBondContact O-CB 3.4Å; Y2400-R2403 PolarHBondContact O-N 3.02Å; Y2400-E2404 PolarHBondContact O-N 3.22Å; Y2400-E2404 VanDerWaalsContact O-N 3.1Å
2401L78.5Confident84Confident16 Ų1632 Ų328%0.08416%0.159CC..Hα-helixtrans-65.9-46179.7-177.2154.9000111.5I1363 R1366 T1367 I1370 L2397 D2398 R2403 E2404 A2405I1363-L2401 HydrophobicContact CG1-CD1 4.15Å; I1363-L2401 HydrophobicContact CG2-CD1 4.12Å; I1363-L2401 HydrophobicContact CG2-CD2 4.29Å; I1363-L2401 HydrophobicContact CG2-CG 3.97Å; R1366-L2401 HydrophobicContact CB-CD1 4.2Å; T1367-L2401 VanDerWaalsContact OG1-CD2 3.23Å; T1367-L2401 WeakPolarHBondContact OG1-CD2 3.19Å; I1370-L2401 HydrophobicContact CD1-CD2 4.31Å; L2397-L2401 WeakPolarHBondContact O-CB 3.08Å; L2397-L2401 PolarHBondContact O-N 3Å; D2398-L2401 PolarHBondContact O-N 3.31Å; L2401-R2403 VanDerWaalsContact C-N 3.28Å; L2401-R2403 PolarHBondContact O-N 3.29Å; L2401-E2404 PolarHBondContact O-N 3.27Å; L2401-A2405 WeakPolarHBondContact O-CB 3.44Å; L2401-A2405 PolarHBondContact O-N 3.13Å
2402V84Confident84.2Confident0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-62.4-34.4175.5164.50000111.8D2398 A2405 K2406 D2407 L2410 E2411 L2414D2398-V2402 VanDerWaalsContact O-CB 3.25Å; D2398-V2402 WeakPolarHBondContact O-CB 3.44Å; D2398-V2402 WeakPolarHBondContact O-CG2 3.43Å; D2398-V2402 PolarHBondContact O-N 2.9Å; V2402-A2405 CarbonylContact O-C 3.53Å; V2402-A2405 PolarHBondContact O-N 3.08Å; V2402-K2406 PolarHBondContact O-N 3.47Å; V2402-D2407 HydrophobicContact CG1-CB 4.17Å; V2402-D2407 WeakPolarHBondContact CG1-O 3.37Å; V2402-D2407 PolarHBondContact O-N 3.36Å; V2402-D2407 VanDerWaalsContact O-N 3.08Å; V2402-L2410 HydrophobicContact CG1-CB 3.82Å; V2402-L2410 HydrophobicContact CG1-CD2 4.22Å; V2402-L2410 HydrophobicContact CG1-CG 3.98Å; V2402-L2410 HydrophobicContact CG2-CD2 3.7Å; V2402-L2410 HydrophobicContact CG2-CG 4.01Å; V2402-E2411 HydrophobicContact CG1-CB 4.1Å; V2402-L2414 HydrophobicContact CG2-CD1 3.95Å
2403R86.5Confident84.1Confident15 Ų1535 Ų356%0.05717%0.174CC..Hα-helixtrans-66.8-46.7173.2-177.2-177.7-65.3161.1-3.3113.1T1995 D1996 M1999 I2399 Y2400 L2401 A2405 K2406 E2411T1995-R2403 HydrophobicContact CG2-CG 4.21Å; D1996-R2403 WeakPolarHBondContact O-CG 3.38Å; M1999-R2403 PolarHBondContact SD-NH2 2.97Å; I2399-R2403 WeakPolarHBondContact O-CB 3.44Å; I2399-R2403 PolarHBondContact O-N 3.46Å; Y2400-R2403 WeakPolarHBondContact O-CB 3.4Å; Y2400-R2403 PolarHBondContact O-N 3.02Å; L2401-R2403 VanDerWaalsContact C-N 3.28Å; L2401-R2403 PolarHBondContact O-N 3.29Å; R2403-A2405 VanDerWaalsContact C-N 3.27Å; R2403-A2405 PolarHBondContact O-N 2.72Å; R2403-K2406 WeakPolarHBondContact O-CA 3.1Å; R2403-K2406 PolarHBondContact O-N 2.66Å; R2403-E2411 HydrophobicContact CB-CG 4.47Å; R2403-E2411 IonicContact CZ-OE1 3.19Å; R2403-E2411 VanDerWaalsContact CZ-OE1 3.22Å; R2403-E2411 IonicContact NE-OE1 2.68Å; R2403-E2411 PolarHBondContact NE-OE1 3.41Å; R2403-E2411 IonicContact NH2-OE1 3.65Å; R2403-E2411 PolarHBondContact NH2-OE1 2.85Å
2404E76.5Confident84.2Confident58 Ų5835 Ų3527%0.27117%0.174SC..Hα-helixtrans-68.6-28.6176.7-168161.5-129.400111.7K1893 L1956 C1957 I1958 Y2400 L2401 K2406K1893-E2404 IonicContact NZ-OE1 3.26Å; K1893-E2404 PolarHBondContact NZ-OE1 2.96Å; L1956-E2404 WeakPolarHBondContact CA-OE2 3.19Å; L1956-E2404 WeakPolarHBondContact CB-OE2 3.4Å; C1957-E2404 PolarHBondContact N-OE1 3.36Å; C1957-E2404 VanDerWaalsContact N-OE1 3.14Å; C1957-E2404 PolarHBondContact N-OE2 3.46Å; I1958-E2404 HydrophobicContact CD1-CB 3.76Å; I1958-E2404 WeakPolarHBondContact CD1-OE2 3.36Å; I1958-E2404 HydrophobicContact CG1-CB 4.23Å; I1958-E2404 WeakPolarHBondContact CG1-OE2 3.33Å; Y2400-E2404 PolarHBondContact O-N 3.22Å; Y2400-E2404 VanDerWaalsContact O-N 3.1Å; L2401-E2404 PolarHBondContact O-N 3.27Å; E2404-K2406 VanDerWaalsContact C-N 3.25Å; E2404-K2406 PolarHBondContact O-N 2.98Å
2405A79.2Confident84.5Confident49 Ų4933.6 Ų33.641%0.40517%0.168SC..THydrogen-bonded Turntrans-74.5-7.3168.700000114.7T1367 L2401 V2402 R2403 D2407T1367-A2405 HydrophobicContact CG2-CB 3.97Å; L2401-A2405 WeakPolarHBondContact O-CB 3.44Å; L2401-A2405 PolarHBondContact O-N 3.13Å; V2402-A2405 CarbonylContact O-C 3.53Å; V2402-A2405 PolarHBondContact O-N 3.08Å; R2403-A2405 VanDerWaalsContact C-N 3.27Å; R2403-A2405 PolarHBondContact O-N 2.72Å; A2405-D2407 VanDerWaalsContact C-N 3.31Å; A2405-D2407 PolarHBondContact O-N 2.97Å
2406K83.7Confident84.6Confident120 Ų12033.5 Ų33.552%0.52217%0.168SC..THydrogen-bonded Turntrans59.726.8-179.6-48.7-164.4-175.4-162.60116D1996 V2402 R2403 E2404 F2408D1996-K2406 WeakPolarHBondContact OD2-CE 3.3Å; D1996-K2406 IonicContact OD2-NZ 2.78Å; D1996-K2406 PolarHBondContact OD2-NZ 3.34Å; V2402-K2406 PolarHBondContact O-N 3.47Å; R2403-K2406 WeakPolarHBondContact O-CA 3.1Å; R2403-K2406 PolarHBondContact O-N 2.66Å; E2404-K2406 VanDerWaalsContact C-N 3.25Å; E2404-K2406 PolarHBondContact O-N 2.98Å; K2406-F2408 HydrophobicContact CB-CE1 4.5Å; K2406-F2408 HydrophobicContact CB-CE2 4.19Å; K2406-F2408 HydrophobicContact CB-CZ 3.93Å; K2406-F2408 HydrophobicContact CG-CZ 4.37Å; K2406-F2408 PolarHBondContact O-N 2.93Å
2407D85.3Confident84.6Confident25 Ų2533.9 Ų33.913%0.13417%0.17CC..  trans-87.980.6173.8-172.7-8.6000110.9R1371 V2402 A2405 M2409 L2410 E2411R1371-D2407 IonicContact CZ-OD2 2.94Å; R1371-D2407 VanDerWaalsContact CZ-OD2 3.26Å; R1371-D2407 IonicContact NE-OD2 3.3Å; R1371-D2407 PolarHBondContact NE-OD2 3.38Å; R1371-D2407 IonicContact NH2-OD2 3.5Å; R1371-D2407 PolarHBondContact NH2-OD2 3.06Å; V2402-D2407 HydrophobicContact CG1-CB 4.17Å; V2402-D2407 WeakPolarHBondContact CG1-O 3.37Å; V2402-D2407 PolarHBondContact O-N 3.36Å; V2402-D2407 VanDerWaalsContact O-N 3.08Å; A2405-D2407 VanDerWaalsContact C-N 3.31Å; A2405-D2407 PolarHBondContact O-N 2.97Å; D2407-M2409 VanDerWaalsContact C-N 3.33Å; D2407-M2409 PolarHBondContact O-N 3.02Å; D2407-L2410 HydrophobicContact CB-CB 4.4Å; D2407-L2410 PolarHBondContact O-N 3.21Å; D2407-E2411 PolarHBondContact O-N 3.14Å; D2407-E2411 VanDerWaalsContact O-N 3.08Å
2408F87Confident84.9Confident69 Ų6931.2 Ų31.230%0.30316%0.156SC..Hα-helixtrans-68.8-20.8-169.8-62.6-51.1000115.8D1996 S1998 K2406 E2411 Q2412D1996-F2408 HydrophobicContact CB-CE1 4.48Å; D1996-F2408 HydrophobicContact CB-CZ 3.92Å; D1996-F2408 WeakPolarHBondContact O-CE1 3.39Å; S1998-F2408 PolarHBondContact OG-O 2.95Å; K2406-F2408 HydrophobicContact CB-CE1 4.5Å; K2406-F2408 HydrophobicContact CB-CE2 4.19Å; K2406-F2408 HydrophobicContact CB-CZ 3.93Å; K2406-F2408 HydrophobicContact CG-CZ 4.37Å; K2406-F2408 PolarHBondContact O-N 2.93Å; F2408-E2411 WeakPolarHBondContact O-CB 3.24Å; F2408-Q2412 WeakPolarHBondContact O-CG 3.26Å; F2408-Q2412 PolarHBondContact O-N 3.29Å; F2408-Q2412 PolarHBondContact O-NE2 3.07Å
2409M85Confident85.2Confident144 Ų14431.6 Ų31.671%0.70916%0.158SC*.Hα-helixtrans-75.1-47.3175.8-59.3-151.1-52.900110.1D2407 E2411 Q2412 D2413D2407-M2409 VanDerWaalsContact C-N 3.33Å; D2407-M2409 PolarHBondContact O-N 3.02Å; M2409-E2411 PolarHBondContact O-N 2.96Å; M2409-Q2412 PolarHBondContact O-N 3.39Å; M2409-D2413 PolarHBondContact O-N 2.7Å
2410L86.1Confident85.3Confident7 Ų732.6 Ų32.64%0.03716%0.162CC..Hα-helixtrans-61-30.2174.4-171.660.1000112I1370 R1371 Y1374 V2402 D2407 L2414I1370-L2410 HydrophobicContact CG2-CD1 4.26Å; I1370-L2410 HydrophobicContact CG2-CD2 3.98Å; I1370-L2410 HydrophobicContact CG2-CG 4.41Å; R1371-L2410 HydrophobicContact CB-CD2 4.24Å; Y1374-L2410 HydrophobicContact CD1-CD1 4.23Å; Y1374-L2410 HydrophobicContact CG-CD1 4.01Å; V2402-L2410 HydrophobicContact CG1-CB 3.82Å; V2402-L2410 HydrophobicContact CG1-CD2 4.22Å; V2402-L2410 HydrophobicContact CG1-CG 3.98Å; V2402-L2410 HydrophobicContact CG2-CD2 3.7Å; V2402-L2410 HydrophobicContact CG2-CG 4.01Å; D2407-L2410 HydrophobicContact CB-CB 4.4Å; D2407-L2410 PolarHBondContact O-N 3.21Å; L2410-L2414 HydrophobicContact CD1-CD1 4.34Å; L2410-L2414 HydrophobicContact CD1-CG 4.16Å; L2410-L2414 HydrophobicContact CG-CD1 4.08Å; L2410-L2414 HydrophobicContact CG-CG 4.37Å; L2410-L2414 WeakPolarHBondContact O-CB 3.37Å; L2410-L2414 VanDerWaalsContact O-CG 3.28Å; L2410-L2414 WeakPolarHBondContact O-CG 3.43Å; L2410-L2414 PolarHBondContact O-N 3.24Å
2411E88.2Confident85.5Confident0 Ų031.2 Ų31.20%016%0.156CC..Hα-helixtrans-59.6-42.6172.4-153.2-150.8176.800112.2T1997 S1998 M1999 I2399 V2402 R2403 D2407 F2408 M2409 F2415T1997-E2411 PolarHBondContact OG1-OE1 3.34Å; T1997-E2411 PolarHBondContact OG1-OE2 2.82Å; S1998-E2411 PolarHBondContact N-OE2 2.96Å; S1998-E2411 PolarHBondContact OG-OE2 3.18Å; M1999-E2411 HydrophobicContact CE-CG 3.9Å; M1999-E2411 VanDerWaalsContact CE-O 3.24Å; M1999-E2411 WeakPolarHBondContact CE-O 3.44Å; I2399-E2411 HydrophobicContact CG2-CG 4.47Å; V2402-E2411 HydrophobicContact CG1-CB 4.1Å; R2403-E2411 HydrophobicContact CB-CG 4.47Å; R2403-E2411 IonicContact CZ-OE1 3.19Å; R2403-E2411 VanDerWaalsContact CZ-OE1 3.22Å; R2403-E2411 IonicContact NE-OE1 2.68Å; R2403-E2411 PolarHBondContact NE-OE1 3.41Å; R2403-E2411 IonicContact NH2-OE1 3.65Å; R2403-E2411 PolarHBondContact NH2-OE1 2.85Å; D2407-E2411 PolarHBondContact O-N 3.14Å; D2407-E2411 VanDerWaalsContact O-N 3.08Å; F2408-E2411 WeakPolarHBondContact O-CB 3.24Å; M2409-E2411 PolarHBondContact O-N 2.96Å; E2411-F2415 WeakPolarHBondContact O-CB 3.3Å; E2411-F2415 PolarHBondContact O-N 2.98Å
2412Q87.1Confident85.9Confident42 Ų4231.5 Ų31.520%0.19616%0.157CC..Hα-helixtrans-75.2-41-179.6-64.9171.43800111.5Y1392 S1998 F2408 M2409 F2415 A2416Y1392-Q2412 HydrophobicContact CD2-CG 3.92Å; Y1392-Q2412 HydrophobicContact CE2-CG 4.05Å; S1998-Q2412 VanDerWaalsContact CB-NE2 3.33Å; S1998-Q2412 WeakPolarHBondContact OG-CG 3.48Å; S1998-Q2412 PolarHBondContact OG-NE2 3.43Å; F2408-Q2412 WeakPolarHBondContact O-CG 3.26Å; F2408-Q2412 PolarHBondContact O-N 3.29Å; F2408-Q2412 PolarHBondContact O-NE2 3.07Å; M2409-Q2412 PolarHBondContact O-N 3.39Å; Q2412-F2415 PolarHBondContact O-N 2.9Å; Q2412-A2416 PolarHBondContact O-N 3.47Å
2413D84.6Confident86.1Confident33 Ų3340.5 Ų40.518%0.17619%0.191CC..Hα-helixtrans-69.4-42.1-177.8-76.3-27.3000112.9Y1374 M2409 F2415 A2416 K2417Y1374-D2413 HydrophobicContact CD1-CB 4.4Å; Y1374-D2413 HydrophobicContact CE1-CB 3.66Å; Y1374-D2413 VanDerWaalsContact CE1-OD2 3.27Å; Y1374-D2413 WeakPolarHBondContact CE1-OD2 3.48Å; Y1374-D2413 HydrophobicContact CE2-CB 4.11Å; M2409-D2413 PolarHBondContact O-N 2.7Å; D2413-F2415 VanDerWaalsContact C-N 3.26Å; D2413-F2415 PolarHBondContact O-N 2.81Å; D2413-A2416 PolarHBondContact O-N 3.02Å; D2413-K2417 PolarHBondContact O-N 2.9Å
2414L87.5Confident86.2Confident9 Ų940.3 Ų40.35%0.04719%0.192CC..Hα-helixtrans-64.7-32.1172.9-70173.9000112I1370 D2398 I2399 V2402 L2410 K2417 L2418I1370-L2414 HydrophobicContact CG2-CD1 4.13Å; I1370-L2414 HydrophobicContact CG2-CD2 4.42Å; D2398-L2414 HydrophobicContact CB-CD1 4.15Å; I2399-L2414 HydrophobicContact CD1-CB 4.21Å; I2399-L2414 HydrophobicContact CG1-CB 3.62Å; I2399-L2414 HydrophobicContact CG1-CD1 4.36Å; V2402-L2414 HydrophobicContact CG2-CD1 3.95Å; L2410-L2414 HydrophobicContact CD1-CD1 4.34Å; L2410-L2414 HydrophobicContact CD1-CG 4.16Å; L2410-L2414 HydrophobicContact CG-CD1 4.08Å; L2410-L2414 HydrophobicContact CG-CG 4.37Å; L2410-L2414 WeakPolarHBondContact O-CB 3.37Å; L2410-L2414 VanDerWaalsContact O-CG 3.28Å; L2410-L2414 WeakPolarHBondContact O-CG 3.43Å; L2410-L2414 PolarHBondContact O-N 3.24Å; L2414-K2417 WeakPolarHBondContact O-CB 3.37Å; L2414-K2417 PolarHBondContact O-N 3.39Å; L2414-L2418 PolarHBondContact O-N 3.13Å
2415F89.2Confident86.6Confident0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-74.3-36.3174.5179.3-113.1000112.7M1999 D2003 N2006 M2007 I2399 E2411 Q2412 D2413 K2417 L2418 I2419M1999-F2415 HydrophobicContact CE-CB 3.45Å; M1999-F2415 VanDerWaalsContact CE-CB 3.45Å; M1999-F2415 HydrophobicContact CE-CD1 4.19Å; M1999-F2415 HydrophobicContact CE-CD2 4.14Å; M1999-F2415 HydrophobicContact CE-CG 3.68Å; M1999-F2415 HydrophobicContact SD-CD2 4.43Å; M1999-F2415 HydrophobicContact SD-CG 4.3Å; D2003-F2415 HydrophobicContact CB-CE1 3.62Å; D2003-F2415 HydrophobicContact CB-CZ 3.64Å; D2003-F2415 WeakPolarHBondContact O-CZ 3.3Å; N2006-F2415 HydrophobicContact CB-CZ 4.41Å; M2007-F2415 HydrophobicContact CB-CD2 4.07Å; M2007-F2415 HydrophobicContact CB-CE2 3.76Å; M2007-F2415 HydrophobicContact CG-CD2 4.05Å; M2007-F2415 HydrophobicContact CG-CE2 4.24Å; I2399-F2415 HydrophobicContact CD1-CB 4.32Å; E2411-F2415 WeakPolarHBondContact O-CB 3.3Å; E2411-F2415 PolarHBondContact O-N 2.98Å; Q2412-F2415 PolarHBondContact O-N 2.9Å; D2413-F2415 VanDerWaalsContact C-N 3.26Å; D2413-F2415 PolarHBondContact O-N 2.81Å; F2415-K2417 VanDerWaalsContact C-N 3.3Å; F2415-K2417 PolarHBondContact O-N 3.38Å; F2415-L2418 PolarHBondContact O-N 3.39Å; F2415-I2419 HydrophobicContact CD1-CD1 3.96Å; F2415-I2419 HydrophobicContact CE1-CD1 3.39Å; F2415-I2419 HydrophobicContact CE1-CG1 4.35Å; F2415-I2419 HydrophobicContact CE2-CD1 4.14Å; F2415-I2419 HydrophobicContact CE2-CG1 4.3Å; F2415-I2419 HydrophobicContact CZ-CD1 3.51Å; F2415-I2419 HydrophobicContact CZ-CG1 4.15Å; F2415-I2419 PolarHBondContact O-N 2.67Å
2416A87.1Confident87Confident4 Ų441.3 Ų41.33%0.03321%0.205CC..Hα-helixtrans-61.7-39169.100000111.5A1395 Q2412 D2413 I2419 F2420A1395-A2416 WeakPolarHBondContact O-CB 3.44Å; Q2412-A2416 PolarHBondContact O-N 3.47Å; D2413-A2416 PolarHBondContact O-N 3.02Å; A2416-I2419 PolarHBondContact O-N 3.17Å; A2416-F2420 PolarHBondContact O-N 3.19Å
2417K86.9Confident87.1Confident8 Ų836.1 Ų36.14%0.03518%0.183CC..Hα-helixtrans-59-49.9170.8-169.3169.9-177.31700111.6M1403 F1404 Y1406 I2395 D2413 L2414 F2415 I2419 F2420 L2421M1403-K2417 HydrophobicContact CE-CB 3.78Å; M1403-K2417 HydrophobicContact CE-CG 3.89Å; M1403-K2417 HydrophobicContact CG-CB 4.48Å; M1403-K2417 HydrophobicContact CG-CD 3.69Å; M1403-K2417 HydrophobicContact CG-CG 3.87Å; M1403-K2417 WeakPolarHBondContact O-CE 3.43Å; M1403-K2417 HydrophobicContact SD-CB 3.61Å; M1403-K2417 HydrophobicContact SD-CD 3.85Å; M1403-K2417 HydrophobicContact SD-CG 3.67Å; F1404-K2417 HydrophobicContact CE1-CD 4.48Å; F1404-K2417 HydrophobicContact CE1-CG 3.7Å; F1404-K2417 HydrophobicContact CZ-CG 3.65Å; Y1406-K2417 PolarHBondContact OH-NZ 3.5Å; I2395-K2417 HydrophobicContact CD1-CD 4.26Å; I2395-K2417 HydrophobicContact CD1-CG 4.26Å; D2413-K2417 PolarHBondContact O-N 2.9Å; L2414-K2417 WeakPolarHBondContact O-CB 3.37Å; L2414-K2417 PolarHBondContact O-N 3.39Å; F2415-K2417 VanDerWaalsContact C-N 3.3Å; F2415-K2417 PolarHBondContact O-N 3.38Å; K2417-I2419 PolarHBondContact O-N 3.08Å; K2417-F2420 PolarHBondContact O-N 3.44Å; K2417-L2421 WeakPolarHBondContact O-CB 3.29Å; K2417-L2421 PolarHBondContact O-N 2.84Å; K2417-L2421 VanDerWaalsContact O-N 3.13Å
2418L88.7Confident87.2Confident0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-60.1-44.1177.8-168.664.6000112.2F2010 I2395 I2399 L2414 F2415 L2421 F2422F2010-L2418 HydrophobicContact CB-CD2 4.28Å; F2010-L2418 HydrophobicContact CD2-CD2 4.05Å; F2010-L2418 HydrophobicContact CD2-CG 4.4Å; I2395-L2418 HydrophobicContact CB-CD1 4.47Å; I2395-L2418 HydrophobicContact CG2-CB 4.09Å; I2395-L2418 HydrophobicContact CG2-CD1 4.01Å; I2395-L2418 HydrophobicContact CG2-CG 4.48Å; I2399-L2418 HydrophobicContact CD1-CD2 4.21Å; L2414-L2418 PolarHBondContact O-N 3.13Å; F2415-L2418 PolarHBondContact O-N 3.39Å; L2418-L2421 PolarHBondContact O-N 3.35Å; L2418-F2422 HydrophobicContact CD1-CD2 4.19Å; L2418-F2422 HydrophobicContact CD1-CE2 3.73Å; L2418-F2422 HydrophobicContact CG-CD2 4.12Å; L2418-F2422 HydrophobicContact CG-CE2 3.97Å; L2418-F2422 WeakPolarHBondContact O-CD2 3.31Å; L2418-F2422 PolarHBondContact O-N 3.04Å; L2418-F2422 VanDerWaalsContact O-N 3.17Å
2419I89Confident87.1Confident37 Ų3737.3 Ų37.319%0.1919%0.191CC..Hα-helixtrans-62-45.6177.4-79.2177.2000111.9K1396 F2415 A2416 K2417 L2421 F2422 R2423K1396-I2419 HydrophobicContact CD-CD1 4.42Å; K1396-I2419 HydrophobicContact CG-CD1 3.94Å; F2415-I2419 HydrophobicContact CD1-CD1 3.96Å; F2415-I2419 HydrophobicContact CE1-CD1 3.39Å; F2415-I2419 HydrophobicContact CE1-CG1 4.35Å; F2415-I2419 HydrophobicContact CE2-CD1 4.14Å; F2415-I2419 HydrophobicContact CE2-CG1 4.3Å; F2415-I2419 HydrophobicContact CZ-CD1 3.51Å; F2415-I2419 HydrophobicContact CZ-CG1 4.15Å; F2415-I2419 PolarHBondContact O-N 2.67Å; A2416-I2419 PolarHBondContact O-N 3.17Å; K2417-I2419 PolarHBondContact O-N 3.08Å; I2419-L2421 VanDerWaalsContact C-N 3.31Å; I2419-L2421 PolarHBondContact O-N 2.69Å; I2419-F2422 PolarHBondContact O-N 2.81Å; I2419-R2423 WeakPolarHBondContact O-CB 3.49Å; I2419-R2423 PolarHBondContact O-N 3.18Å
2420F88.5Confident87Confident20 Ų2037.5 Ų37.59%0.08819%0.191CC..Hα-helixtrans-63.4-40.8179.9-175.7-86.8000111.8G1399 Y1401 F1404 A2416 K2417 F2422 R2423 S2424 T2427G1399-F2420 WeakPolarHBondContact O-CD2 3.34Å; G1399-F2420 WeakPolarHBondContact O-CE2 3.47Å; Y1401-F2420 HydrophobicContact CD1-CE1 4.16Å; Y1401-F2420 HydrophobicContact CD1-CZ 4.13Å; Y1401-F2420 AromaticContact CD2-CZ 3.85Å; Y1401-F2420 HydrophobicContact CD2-CZ 3.85Å; Y1401-F2420 HydrophobicContact CE1-CE1 4.31Å; Y1401-F2420 HydrophobicContact CE1-CZ 4.15Å; Y1401-F2420 AromaticContact CE2-CZ 3.87Å; Y1401-F2420 HydrophobicContact CE2-CZ 3.87Å; Y1401-F2420 HydrophobicContact CG-CE1 4.32Å; Y1401-F2420 AromaticContact CG-CZ 3.98Å; Y1401-F2420 HydrophobicContact CG-CZ 3.98Å; F1404-F2420 AromaticContact CD2-CD1 3.99Å; F1404-F2420 HydrophobicContact CD2-CD1 3.99Å; F1404-F2420 HydrophobicContact CD2-CE1 4.13Å; F1404-F2420 HydrophobicContact CE2-CB 4.3Å; F1404-F2420 AromaticContact CE2-CD1 3.26Å; F1404-F2420 HydrophobicContact CE2-CD1 3.26Å; F1404-F2420 AromaticContact CE2-CE1 3.83Å; F1404-F2420 HydrophobicContact CE2-CE1 3.83Å; F1404-F2420 HydrophobicContact CE2-CG 4.05Å; F1404-F2420 HydrophobicContact CZ-CB 4.32Å; F1404-F2420 AromaticContact CZ-CD1 3.87Å; F1404-F2420 HydrophobicContact CZ-CD1 3.87Å; A2416-F2420 PolarHBondContact O-N 3.19Å; K2417-F2420 PolarHBondContact O-N 3.44Å; F2420-F2422 PolarHBondContact O-N 3.28Å; F2420-R2423 CarbonylContact O-C 3.56Å; F2420-R2423 WeakPolarHBondContact O-CA 3.37Å; F2420-R2423 WeakPolarHBondContact O-CB 3.32Å; F2420-R2423 PolarHBondContact O-N 2.68Å; F2420-S2424 PolarHBondContact O-N 3.33Å; F2420-T2427 HydrophobicContact CE1-CG2 4.48Å
2421L87.1Confident86.9Confident0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-60.8-46179.7-150.4175.1000111.1F1404 L2392 I2395 K2417 L2418 I2419 R2423 S2424 L2428 W2431F1404-L2421 HydrophobicContact CD1-CD1 4.46Å; F1404-L2421 HydrophobicContact CD1-CG 4.43Å; F1404-L2421 HydrophobicContact CE1-CB 4.03Å; F1404-L2421 HydrophobicContact CE1-CD1 3.84Å; F1404-L2421 HydrophobicContact CE1-CG 3.83Å; F1404-L2421 HydrophobicContact CZ-CB 4.18Å; F1404-L2421 HydrophobicContact CZ-CG 4.45Å; L2392-L2421 HydrophobicContact CD2-CD1 3.58Å; L2392-L2421 HydrophobicContact CD2-CD2 3.81Å; L2392-L2421 HydrophobicContact CD2-CG 4.33Å; I2395-L2421 HydrophobicContact CD1-CD1 4.28Å; K2417-L2421 WeakPolarHBondContact O-CB 3.29Å; K2417-L2421 PolarHBondContact O-N 2.84Å; K2417-L2421 VanDerWaalsContact O-N 3.13Å; L2418-L2421 PolarHBondContact O-N 3.35Å; I2419-L2421 VanDerWaalsContact C-N 3.31Å; I2419-L2421 PolarHBondContact O-N 2.69Å; L2421-R2423 VanDerWaalsContact C-N 3.26Å; L2421-R2423 PolarHBondContact O-N 2.95Å; L2421-S2424 PolarHBondContact O-N 2.73Å; L2421-L2428 HydrophobicContact CD2-CB 3.83Å; L2421-L2428 HydrophobicContact CD2-CD1 3.5Å; L2421-L2428 HydrophobicContact CD2-CG 4.26Å; L2421-W2431 HydrophobicContact CD1-CD2 4.2Å; L2421-W2431 HydrophobicContact CD1-CE3 3.54Å; L2421-W2431 HydrophobicContact CD1-CZ3 3.7Å
2422F87.5Confident86.8Confident21 Ų2137.9 Ų37.99%0.09219%0.192CC..Hα-helixtrans-69.1-19.4172.3-77.5-62.7000114.3F2010 I2014 F2383 L2418 I2419 F2420F2010-F2422 HydrophobicContact CB-CE2 3.75Å; F2010-F2422 HydrophobicContact CB-CZ 4.24Å; F2010-F2422 AromaticContact CD1-CD2 3.68Å; F2010-F2422 HydrophobicContact CD1-CD2 3.68Å; F2010-F2422 HydrophobicContact CD1-CE1 4.44Å; F2010-F2422 AromaticContact CD1-CE2 3.51Å; F2010-F2422 HydrophobicContact CD1-CE2 3.51Å; F2010-F2422 HydrophobicContact CD1-CG 4.23Å; F2010-F2422 AromaticContact CD1-CZ 3.92Å; F2010-F2422 HydrophobicContact CD1-CZ 3.92Å; F2010-F2422 HydrophobicContact CD2-CD2 4.14Å; F2010-F2422 HydrophobicContact CD2-CE2 4.13Å; F2010-F2422 HydrophobicContact CE1-CB 4.46Å; F2010-F2422 AromaticContact CE1-CD2 3.78Å; F2010-F2422 HydrophobicContact CE1-CD2 3.78Å; F2010-F2422 HydrophobicContact CE1-CE2 4.11Å; F2010-F2422 HydrophobicContact CE1-CG 4.03Å; F2010-F2422 HydrophobicContact CE2-CD2 4.23Å; F2010-F2422 AromaticContact CG-CD2 3.88Å; F2010-F2422 HydrophobicContact CG-CD2 3.88Å; F2010-F2422 AromaticContact CG-CE2 3.54Å; F2010-F2422 HydrophobicContact CG-CE2 3.54Å; F2010-F2422 HydrophobicContact CG-CZ 4.24Å; F2010-F2422 HydrophobicContact CZ-CD2 4.06Å; F2010-F2422 HydrophobicContact CZ-CG 4.46Å; I2014-F2422 HydrophobicContact CD1-CE2 4.33Å; I2014-F2422 HydrophobicContact CD1-CZ 3.98Å; I2014-F2422 HydrophobicContact CG1-CZ 4.19Å; F2383-F2422 AromaticContact CD1-CD1 3.71Å; F2383-F2422 HydrophobicContact CD1-CD1 3.71Å; F2383-F2422 HydrophobicContact CD1-CE1 4.02Å; F2383-F2422 AromaticContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CD1 3.71Å; F2383-F2422 HydrophobicContact CE1-CE1 4.47Å; L2418-F2422 HydrophobicContact CD1-CD2 4.19Å; L2418-F2422 HydrophobicContact CD1-CE2 3.73Å; L2418-F2422 HydrophobicContact CG-CD2 4.12Å; L2418-F2422 HydrophobicContact CG-CE2 3.97Å; L2418-F2422 WeakPolarHBondContact O-CD2 3.31Å; L2418-F2422 PolarHBondContact O-N 3.04Å; L2418-F2422 VanDerWaalsContact O-N 3.17Å; I2419-F2422 PolarHBondContact O-N 2.81Å; F2420-F2422 PolarHBondContact O-N 3.28Å
2423R87.8Confident86.5Confident190 Ų19044.5 Ų44.572%0.71722%0.215SC*.Hα-helixtrans-83.6-21.6176.6-171.7179.6178.8-160.1-2.5113.4I2419 F2420 L2421I2419-R2423 WeakPolarHBondContact O-CB 3.49Å; I2419-R2423 PolarHBondContact O-N 3.18Å; F2420-R2423 CarbonylContact O-C 3.56Å; F2420-R2423 WeakPolarHBondContact O-CA 3.37Å; F2420-R2423 WeakPolarHBondContact O-CB 3.32Å; F2420-R2423 PolarHBondContact O-N 2.68Å; L2421-R2423 VanDerWaalsContact C-N 3.26Å; L2421-R2423 PolarHBondContact O-N 2.95Å
2424S87.6Confident85.9Confident11 Ų1148.9 Ų48.98%0.07724%0.236CC..  trans-120.195.2-176.8-176.10000112.2F2420 L2421 A2426 T2427 L2428F2420-S2424 PolarHBondContact O-N 3.33Å; L2421-S2424 PolarHBondContact O-N 2.73Å; S2424-A2426 PolarHBondContact O-N 3.11Å; S2424-A2426 VanDerWaalsContact O-N 3.13Å; S2424-T2427 WeakPolarHBondContact CB-OG1 3.21Å; S2424-T2427 PolarHBondContact O-N 2.69Å; S2424-T2427 VanDerWaalsContact O-N 3.12Å; S2424-T2427 PolarHBondContact O-OG1 3.09Å; S2424-L2428 PolarHBondContact O-N 3.43Å; S2424-L2428 VanDerWaalsContact O-N 3.1Å
2425P86.6Confident84.5Confident60 Ų6051 Ų5139%0.3925%0.252SS..Hα-helixtrans-58.5-29.7-175.4-22.130.5000114.2M2382 L2428 I2429M2382-P2425 HydrophobicContact CE-CB 4.03Å; M2382-P2425 HydrophobicContact CE-CG 3.69Å; P2425-L2428 PolarHBondContact O-N 3.04Å; P2425-I2429 VanDerWaalsContact O-CG1 3.3Å; P2425-I2429 WeakPolarHBondContact O-CG1 3.38Å; P2425-I2429 PolarHBondContact O-N 2.99Å
2426A86.1Confident82.7Confident68 Ų6859.6 Ų59.656%0.56229%0.289SS*.Hα-helixtrans-64.3-50.3176.900000111.2S2424 L2428 I2429 E2430S2424-A2426 PolarHBondContact O-N 3.11Å; S2424-A2426 VanDerWaalsContact O-N 3.13Å; A2426-L2428 VanDerWaalsContact C-N 3.31Å; A2426-L2428 PolarHBondContact O-N 2.93Å; A2426-I2429 PolarHBondContact O-N 3.06Å; A2426-E2430 PolarHBondContact O-N 3.31Å
2427T85.8Confident80.7Confident10 Ų1067.5 Ų67.56%0.06132%0.322CS..Hα-helixtrans-64.7-36.1177.162.90000111.9Y1401 F2420 S2424 I2429 E2430 W2431Y1401-T2427 HydrophobicContact CD1-CG2 3.72Å; Y1401-T2427 HydrophobicContact CE1-CG2 3.77Å; F2420-T2427 HydrophobicContact CE1-CG2 4.48Å; S2424-T2427 WeakPolarHBondContact CB-OG1 3.21Å; S2424-T2427 PolarHBondContact O-N 2.69Å; S2424-T2427 VanDerWaalsContact O-N 3.12Å; S2424-T2427 PolarHBondContact O-OG1 3.09Å; T2427-I2429 PolarHBondContact O-N 3.29Å; T2427-E2430 PolarHBondContact O-N 3.41Å; T2427-W2431 WeakPolarHBondContact O-CB 3.39Å; T2427-W2431 PolarHBondContact O-N 3.01Å
2428L87.2Confident78.6Confident1 Ų176.6 Ų76.61%0.00536%0.362CS..Hα-helixtrans-60-45.1174.6178.560.8000112.1M2382 F2383 L2386 L2392 L2421 S2424 P2425 A2426 T2432M2382-L2428 VanDerWaalsContact O-CD2 3.31Å; M2382-L2428 WeakPolarHBondContact O-CD2 3.38Å; F2383-L2428 HydrophobicContact CD1-CD2 4.15Å; F2383-L2428 HydrophobicContact CE1-CD2 4.47Å; L2386-L2428 HydrophobicContact CD1-CD1 4.22Å; L2386-L2428 HydrophobicContact CD2-CD1 3.98Å; L2386-L2428 HydrophobicContact CD2-CD2 4.2Å; L2386-L2428 HydrophobicContact CD2-CG 3.91Å; L2392-L2428 HydrophobicContact CD1-CD1 3.93Å; L2392-L2428 HydrophobicContact CD2-CD1 4.29Å; L2421-L2428 HydrophobicContact CD2-CB 3.83Å; L2421-L2428 HydrophobicContact CD2-CD1 3.5Å; L2421-L2428 HydrophobicContact CD2-CG 4.26Å; S2424-L2428 PolarHBondContact O-N 3.43Å; S2424-L2428 VanDerWaalsContact O-N 3.1Å; P2425-L2428 PolarHBondContact O-N 3.04Å; A2426-L2428 VanDerWaalsContact C-N 3.31Å; A2426-L2428 PolarHBondContact O-N 2.93Å; L2428-T2432 HydrophobicContact CD1-CG2 3.96Å; L2428-T2432 WeakPolarHBondContact O-CB 3.42Å; L2428-T2432 VanDerWaalsContact O-CG2 3.27Å; L2428-T2432 WeakPolarHBondContact O-CG2 3.48Å; L2428-T2432 PolarHBondContact O-N 3.47Å; L2428-T2432 PolarHBondContact O-OG1 3.27Å
2429I86.5Confident76.1Confident118 Ų11885.7 Ų85.761%0.60540%0.404SS*.Hα-helixtrans-69.4-40.2178.8-69.5165.9000111.5P2425 A2426 T2427P2425-I2429 VanDerWaalsContact O-CG1 3.3Å; P2425-I2429 WeakPolarHBondContact O-CG1 3.38Å; P2425-I2429 PolarHBondContact O-N 2.99Å; A2426-I2429 PolarHBondContact O-N 3.06Å; T2427-I2429 PolarHBondContact O-N 3.29Å
2430E83.3Confident73.4Confident149 Ų14995.3 Ų95.370%0.69645%0.449SS*.Hα-helixtrans-63.1-45.8178-174.9165.3-149.700111.6A2426 T2427A2426-E2430 PolarHBondContact O-N 3.31Å; T2427-E2430 PolarHBondContact O-N 3.41Å
2431W82.7Confident72.6Confident13 Ų1399.1 Ų99.15%0.04947%0.467CS..Hα-helixtrans-82.8-9.2-174.1-15072.6000114.9H2391 L2392 I2395 L2421 T2427H2391-W2431 HydrophobicContact CB-CD2 4.14Å; H2391-W2431 HydrophobicContact CB-CE3 3.63Å; H2391-W2431 HydrophobicContact CB-CH2 3.62Å; H2391-W2431 HydrophobicContact CB-CZ2 4.11Å; H2391-W2431 HydrophobicContact CB-CZ3 3.38Å; H2391-W2431 VanDerWaalsContact O-CH2 3.26Å; H2391-W2431 WeakPolarHBondContact O-CH2 3.42Å; H2391-W2431 VanDerWaalsContact O-CZ3 3.25Å; H2391-W2431 WeakPolarHBondContact O-CZ3 3.11Å; L2392-W2431 HydrophobicContact CD2-CE3 4.12Å; L2392-W2431 HydrophobicContact CD2-CZ3 4.04Å; L2392-W2431 HydrophobicContact CG-CZ3 4.48Å; I2395-W2431 HydrophobicContact CD1-CH2 3.37Å; I2395-W2431 HydrophobicContact CD1-CZ2 4.26Å; I2395-W2431 HydrophobicContact CD1-CZ3 3.73Å; I2395-W2431 HydrophobicContact CG1-CH2 3.83Å; I2395-W2431 HydrophobicContact CG1-CZ3 4.38Å; L2421-W2431 HydrophobicContact CD1-CD2 4.2Å; L2421-W2431 HydrophobicContact CD1-CE3 3.54Å; L2421-W2431 HydrophobicContact CD1-CZ3 3.7Å; T2427-W2431 WeakPolarHBondContact O-CB 3.39Å; T2427-W2431 PolarHBondContact O-N 3.01Å
2432T86.7Confident71.8Confident2 Ų2104.3 Ų104.31%0.01249%0.491CS..THydrogen-bonded Turntrans-110.5817858.60000113.7L2386 P2387 N2388 L2392 L2428L2386-T2432 HydrophobicContact CD1-CG2 4.45Å; L2386-T2432 HydrophobicContact CD2-CG2 4.27Å; P2387-T2432 WeakPolarHBondContact CD-O 3.43Å; P2387-T2432 VanDerWaalsContact CG-O 3.31Å; P2387-T2432 WeakPolarHBondContact CG-O 3.4Å; N2388-T2432 WeakPolarHBondContact CB-O 3.28Å; N2388-T2432 PolarHBondContact N-O 2.97Å; N2388-T2432 WeakPolarHBondContact O-CB 3.41Å; N2388-T2432 WeakPolarHBondContact O-CG2 3.05Å; L2392-T2432 HydrophobicContact CD1-CG2 3.78Å; L2392-T2432 HydrophobicContact CG-CG2 4.09Å; L2428-T2432 HydrophobicContact CD1-CG2 3.96Å; L2428-T2432 WeakPolarHBondContact O-CB 3.42Å; L2428-T2432 VanDerWaalsContact O-CG2 3.27Å; L2428-T2432 WeakPolarHBondContact O-CG2 3.48Å; L2428-T2432 PolarHBondContact O-N 3.47Å; L2428-T2432 PolarHBondContact O-OG1 3.27Å
2433R81.5Confident71Confident181 Ų181108.9 Ų108.968%0.68351%0.514SS*.PPolyproline II helixtrans-72.5141.4-176.4-176.6177.41771801112.5S2435R2433-S2435 PolarHBondContact O-N 2.76Å
2434M70.8Confident70Confident125 Ų125104.2 Ų104.262%0.61650%0.502SS*.PPolyproline II helixtrans-73.5121.1167.5-67.6-73.7-79.600110.4P2387 N2388P2387-M2434 HydrophobicContact CB-CG 4.1Å; N2388-M2434 HydrophobicContact CB-SD 4.01Å
2435S58.3Low68.9Low53 Ų53110 Ų11037%0.37153%0.528SS..PPolyproline II helixtrans-72151.3174.1-172.30000111.9E1409 R2433E1409-S2435 VanDerWaalsContact CD-OG 3.3Å; E1409-S2435 WeakPolarHBondContact OE1-CB 3.4Å; E1409-S2435 PolarHBondContact OE1-OG 2.87Å; E1409-S2435 WeakPolarHBondContact OE2-CB 3.05Å; E1409-S2435 PolarHBondContact OE2-OG 3.3Å; R2433-S2435 PolarHBondContact O-N 2.76Å
2436K51.5Low67.7Low181 Ų181113.3 Ų113.379%0.78754%0.537SS*.SBendtrans-80.5-18.1-177.3-78.8-170.7170.7-1710114.2K2438K2436-K2438 VanDerWaalsContact C-N 3.33Å; K2436-K2438 PolarHBondContact O-N 2.75Å
2437K44.6Very low66.4Low169 Ų169116.6 Ų116.674%0.73554%0.536SS*.THydrogen-bonded Turntrans-79.35.6-161.6-79.4-177.7171.9177.40117.1
2438K43.7Very low64.9Low199 Ų199124.8 Ų124.887%0.86557%0.572SS**THydrogen-bonded Turntrans-105.217.8179.5-93.4-176.8175.1177.70114.2K2436K2436-K2438 VanDerWaalsContact C-N 3.33Å; K2436-K2438 PolarHBondContact O-N 2.75Å
2439Q35.5Very low63.1Low191 Ų191135.1 Ų135.189%0.89362%0.619SS**  trans-132.212.2177.5-69.2-169.1-34.200113.7
2440E31.6Very low60.9Low240 Ų240136.6 Ų136.6100%1.12262%0.621SS**  trans-112.50163.8-69177.7169.400107.9

Retrieved 2,440 of 2,440 residues in 1474.1 ms (Link to these results)

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