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Isoform a 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 A0A061ACU2-2 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,438 aa.

>PIEZ1_CAEEL|A0A061ACU2-2|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEERFVSAGTVETNVDDVGQLISISESTASAPSGRGRGNTLLLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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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
1M38.7Very low65.3Low203 Ų20368.9 Ų68.9100%139%0.387SS*.  0141.60-73.7171.3167.200109L143M1-L143 HydrophobicContact CB-CD2 3.78Å; M1-L143 VanDerWaalsContact O-CD2 3.24Å; M1-L143 WeakPolarHBondContact O-CD2 3.45Å
2T45.1Very low66.7Low102 Ų10263.5 Ų63.563%0.62636%0.357SS*.  trans-98.9132.4173.140.70000109.6R146T2-R146 HydrophobicContact CG2-CB 4.2Å
3V58.1Low67.5Low23 Ų2362.7 Ų62.714%0.13935%0.347CS..  trans-118.6126.6-174.1175.50000110.4L7 K8 I139 L143V3-L7 HydrophobicContact CG1-CB 4.02Å; V3-L7 HydrophobicContact CG1-CD2 3.75Å; V3-L7 HydrophobicContact CG1-CG 4.38Å; V3-K8 HydrophobicContact CG1-CG 4.02Å; V3-I139 HydrophobicContact CG1-CG2 4.41Å; V3-L143 HydrophobicContact CG2-CB 4.07Å; V3-L143 HydrophobicContact CG2-CD1 4.09Å; V3-L143 HydrophobicContact CG2-CD2 4.28Å; V3-L143 HydrophobicContact CG2-CG 4.37Å
4P64.2Low68.1Low79 Ų7966.4 Ų66.451%0.51337%0.365SS..  trans-65.4141.8-179.125.5-33.4000111.5L6 L7 K8P4-L6 PolarHBondContact O-N 3.46Å; P4-L6 VanDerWaalsContact O-N 3.08Å; P4-L7 HydrophobicContact CG-CB 4.12Å; P4-L7 WeakPolarHBondContact O-CB 3.48Å; P4-L7 PolarHBondContact O-N 3.27Å; P4-K8 PolarHBondContact O-N 3.22Å
5P61.4Low69.1Low22 Ų2267.5 Ų67.514%0.14337%0.37CS..Hα-helixtrans-63.8-20.5-175.924.3-34.2000113.4K8 S9 I48 K50P5-K8 PolarHBondContact O-N 2.78Å; P5-S9 WeakPolarHBondContact O-CB 3.46Å; P5-S9 PolarHBondContact O-N 2.68Å; P5-I48 HydrophobicContact CB-CG2 4.2Å; P5-K50 HydrophobicContact CG-CG 3.89Å
6L65Low70.3Confident141 Ų14163.3 Ų63.374%0.73835%0.347SS*.Hα-helixtrans-65.4-41.9172.2-153.6163.2000110.9P4 S9 C10P4-L6 PolarHBondContact O-N 3.46Å; P4-L6 VanDerWaalsContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 2.74Å; L6-C10 WeakPolarHBondContact O-CB 3.32Å; L6-C10 PolarHBondContact O-N 2.92Å
7L74.3Confident71.1Confident87 Ų8759.6 Ų59.646%0.45533%0.327SS..Hα-helixtrans-65.4-46.2174-166.375.8000110.7V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 4.02Å; V3-L7 HydrophobicContact CG1-CD2 3.75Å; V3-L7 HydrophobicContact CG1-CG 4.38Å; P4-L7 HydrophobicContact CG-CB 4.12Å; P4-L7 WeakPolarHBondContact O-CB 3.48Å; P4-L7 PolarHBondContact O-N 3.27Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.01Å; L7-C10 PolarHBondContact O-N 2.72Å; L7-V11 HydrophobicContact CG-CG2 4.4Å; L7-V11 WeakPolarHBondContact O-CB 3.42Å; L7-V11 WeakPolarHBondContact O-CG2 3.27Å; L7-V11 PolarHBondContact O-N 3.46Å
8K77.2Confident71.7Confident15 Ų1559.3 Ų59.37%0.06533%0.334CS..Hα-helixtrans-55.5-44.4174.9-63.8-160175.1-158.50111.9V3 P4 P5 C10 V12 I48 I139 V140 L143V3-K8 HydrophobicContact CG1-CG 4.02Å; P4-K8 PolarHBondContact O-N 3.22Å; P5-K8 PolarHBondContact O-N 2.78Å; K8-C10 VanDerWaalsContact C-N 3.34Å; K8-C10 PolarHBondContact O-N 3.34Å; K8-V12 WeakPolarHBondContact O-CG2 3.43Å; K8-V12 PolarHBondContact O-N 3.26Å; K8-I48 HydrophobicContact CB-CD1 3.71Å; K8-I139 WeakPolarHBondContact CE-O 3.37Å; K8-I139 HydrophobicContact CG-CG2 4.2Å; K8-I139 PolarHBondContact NZ-O 2.95Å; K8-V140 PolarHBondContact NZ-O 3.16Å; K8-L143 WeakPolarHBondContact CE-O 3.33Å; K8-L143 PolarHBondContact NZ-O 3Å
9S74.5Confident72.5Confident21 Ų2157.1 Ų57.115%0.14732%0.323CS..Hα-helixtrans-74.6-18.6177.5-173.50000114.2P5 L6 L7 K13P5-S9 WeakPolarHBondContact O-CB 3.46Å; P5-S9 PolarHBondContact O-N 2.68Å; L6-S9 PolarHBondContact O-N 2.74Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.01Å; S9-K13 WeakPolarHBondContact O-CB 3.31Å; S9-K13 WeakPolarHBondContact O-CG 3.43Å; S9-K13 PolarHBondContact OG-NZ 2.69Å; S9-K13 VanDerWaalsContact OG-NZ 3.12Å
10C76.3Confident73.4Confident55 Ų5554.3 Ų54.337%0.37231%0.307SS..Hα-helixtrans-79.8-46173.6-168.60000110.6L6 L7 K8 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.32Å; L6-C10 PolarHBondContact O-N 2.92Å; L7-C10 PolarHBondContact O-N 2.72Å; K8-C10 VanDerWaalsContact C-N 3.34Å; K8-C10 PolarHBondContact O-N 3.34Å; C10-V12 VanDerWaalsContact C-N 3.34Å; C10-V12 PolarHBondContact O-N 3.12Å; C10-K13 PolarHBondContact O-N 3.17Å; C10-L14 WeakPolarHBondContact O-CB 3.37Å; C10-L14 PolarHBondContact O-N 3.33Å; C10-L15 PolarHBondContact O-N 3.23Å
11V83.1Confident73.9Confident10 Ų1052.5 Ų52.56%0.06130%0.297CS..Iπ-helixtrans-55.6-45.2177165.80000111.8L7 L15 L16 T136 I139L7-V11 HydrophobicContact CG-CG2 4.4Å; L7-V11 WeakPolarHBondContact O-CB 3.42Å; L7-V11 WeakPolarHBondContact O-CG2 3.27Å; L7-V11 PolarHBondContact O-N 3.46Å; V11-L15 HydrophobicContact CG1-CD2 4.46Å; V11-L15 HydrophobicContact CG2-CD2 4.37Å; V11-L16 WeakPolarHBondContact O-CB 3.45Å; V11-L16 PolarHBondContact O-N 2.91Å; V11-T136 HydrophobicContact CG1-CG2 3.36Å; V11-I139 HydrophobicContact CB-CG2 4.46Å; V11-I139 HydrophobicContact CG1-CB 4.42Å; V11-I139 HydrophobicContact CG1-CD1 4.26Å; V11-I139 HydrophobicContact CG1-CG2 4.33Å; V11-I139 HydrophobicContact CG2-CD1 4.01Å; V11-I139 HydrophobicContact CG2-CG2 4.31Å
12V82.8Confident76.1Confident4 Ų444.7 Ų44.72%0.02426%0.264CS..Iπ-helixtrans-70-33.1178.9172.70000113.7K8 C10 S42 L45 V140K8-V12 WeakPolarHBondContact O-CG2 3.43Å; K8-V12 PolarHBondContact O-N 3.26Å; C10-V12 VanDerWaalsContact C-N 3.34Å; C10-V12 PolarHBondContact O-N 3.12Å; V12-S42 PolarHBondContact O-OG 3.5Å; V12-L45 HydrophobicContact CG1-CD1 3.75Å; V12-V140 HydrophobicContact CG2-CG2 3.6Å
13K77Confident77.9Confident53 Ų5339.8 Ų39.823%0.2323%0.234CC..Iπ-helixtrans-108.3-8.7-167.2-66.1-179.1-178.2160.40116S9 C10 P17 L45S9-K13 WeakPolarHBondContact O-CB 3.31Å; S9-K13 WeakPolarHBondContact O-CG 3.43Å; S9-K13 PolarHBondContact OG-NZ 2.69Å; S9-K13 VanDerWaalsContact OG-NZ 3.12Å; C10-K13 PolarHBondContact O-N 3.17Å; K13-P17 VanDerWaalsContact C-CG 3.45Å; K13-P17 WeakPolarHBondContact O-CG 3.49Å; K13-L45 WeakPolarHBondContact CE-O 3.41Å
14L76.1Confident79.1Confident115 Ų11538.7 Ų38.760%0.60223%0.228SC*.Iπ-helixtrans-134.8-52.9-175.2-157.5156.1000110.3C10 A18C10-L14 WeakPolarHBondContact O-CB 3.37Å; C10-L14 PolarHBondContact O-N 3.33Å; L14-A18 WeakPolarHBondContact O-CB 3.45Å; L14-A18 PolarHBondContact O-N 2.93Å
15L83.3Confident79.9Confident82 Ų8239.2 Ų39.243%0.42923%0.225SC..Iπ-helixtrans-66.6-53179.6-167.274.9000112.4C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 3.23Å; V11-L15 HydrophobicContact CG1-CD2 4.46Å; V11-L15 HydrophobicContact CG2-CD2 4.37Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-A19 PolarHBondContact O-N 2.67Å; L15-L135 HydrophobicContact CD2-CD2 3.7Å
16L87.3Confident80.6Confident0 Ų039.8 Ų39.80%023%0.227CC..Hα-helixtrans-61-51.4-179.6-177.958.8000114V11 A18 A19 L20 F61 T65 A132 T136V11-L16 WeakPolarHBondContact O-CB 3.45Å; V11-L16 PolarHBondContact O-N 2.91Å; L16-A18 VanDerWaalsContact C-N 3.31Å; L16-A18 PolarHBondContact O-N 2.6Å; L16-A19 PolarHBondContact O-N 2.96Å; L16-L20 HydrophobicContact CD1-CD1 4.14Å; L16-L20 HydrophobicContact CD1-CG 4.3Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 2.98Å; L16-F61 HydrophobicContact CD2-CE1 3.81Å; L16-T65 HydrophobicContact CD1-CG2 4.14Å; L16-T65 HydrophobicContact CD2-CG2 4.42Å; L16-A132 HydrophobicContact CD1-CB 4.39Å; L16-T136 HydrophobicContact CB-CG2 3.87Å; L16-T136 HydrophobicContact CD1-CG2 4.24Å; L16-T136 HydrophobicContact CD2-CG2 4.25Å; L16-T136 HydrophobicContact CG-CG2 4.35Å
17P83.7Confident81.2Confident2 Ų233.6 Ų33.61%0.01319%0.194CC..Hα-helixtrans-66.5-30.4178.324.4-33.2000113.1K13 L20 L21 A39 Y321K13-P17 VanDerWaalsContact C-CG 3.45Å; K13-P17 WeakPolarHBondContact O-CG 3.49Å; P17-L20 PolarHBondContact O-N 3.1Å; P17-L21 WeakPolarHBondContact O-CB 3.44Å; P17-L21 WeakPolarHBondContact O-CG 3.29Å; P17-L21 PolarHBondContact O-N 3.49Å; P17-A39 HydrophobicContact CB-CB 3.98Å; P17-Y321 WeakPolarHBondContact CB-OH 3.48Å
18A83.4Confident81.4Confident54 Ų5430.2 Ų30.245%0.44618%0.177SC..Hα-helixtrans-65.4-43.1173.300000111.8L14 L15 L16 L21 A22L14-A18 WeakPolarHBondContact O-CB 3.45Å; L14-A18 PolarHBondContact O-N 2.93Å; L15-A18 PolarHBondContact O-N 2.81Å; L16-A18 VanDerWaalsContact C-N 3.31Å; L16-A18 PolarHBondContact O-N 2.6Å; A18-L21 PolarHBondContact O-N 3.32Å; A18-A22 WeakPolarHBondContact O-CB 3.24Å; A18-A22 PolarHBondContact O-N 3.38Å
19A86.9Confident81.5Confident16 Ų1629.7 Ų29.713%0.13218%0.175CC..Hα-helixtrans-63.8-41.7175.400000112.5L15 L16 A22 A23 I128 A132L15-A19 PolarHBondContact O-N 2.67Å; L16-A19 PolarHBondContact O-N 2.96Å; A19-A22 PolarHBondContact O-N 3.42Å; A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.26Å; A19-I128 HydrophobicContact CB-CG2 4Å; A19-I128 WeakPolarHBondContact O-CG2 3.31Å; A19-A132 HydrophobicContact CB-CB 3.42Å; A19-A132 VanDerWaalsContact CB-CB 3.42Å
20L88.8Confident82Confident1 Ų132.3 Ų32.31%0.00518%0.184CC..Hα-helixtrans-65.5-41.1176.3-71.3169.2000112.5L16 P17 A24 Y35 L38 A39 T65L16-L20 HydrophobicContact CD1-CD1 4.14Å; L16-L20 HydrophobicContact CD1-CG 4.3Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 WeakPolarHBondContact O-CG 3.36Å; L16-L20 PolarHBondContact O-N 2.98Å; P17-L20 PolarHBondContact O-N 3.1Å; L20-A24 WeakPolarHBondContact O-CB 3.18Å; L20-A24 PolarHBondContact O-N 2.81Å; L20-Y35 HydrophobicContact CD2-CD1 3.87Å; L20-Y35 HydrophobicContact CD2-CG 4.29Å; L20-L38 HydrophobicContact CD1-CB 3.82Å; L20-A39 HydrophobicContact CB-CB 4.05Å; L20-T65 HydrophobicContact CD1-CG2 4.23Å; L20-T65 HydrophobicContact CD2-CG2 4.41Å
21L85.5Confident82.4Confident18 Ų1832.2 Ų32.29%0.09418%0.179CC..Hα-helixtrans-68.7-37.4175.1-76164.1000112.1P17 A18 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.44Å; P17-L21 WeakPolarHBondContact O-CG 3.29Å; P17-L21 PolarHBondContact O-N 3.49Å; A18-L21 PolarHBondContact O-N 3.32Å; L21-A24 WeakPolarHBondContact O-CB 3.3Å; L21-A24 PolarHBondContact O-N 2.93Å; L21-I25 WeakPolarHBondContact O-CD1 3.42Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.26Å; L21-I25 PolarHBondContact O-N 2.97Å; L21-A39 HydrophobicContact CD1-CB 4.26Å; L21-A39 HydrophobicContact CD2-CB 4.32Å; L21-A39 HydrophobicContact CG-CB 3.82Å; L21-F249 HydrophobicContact CD2-CE1 4.22Å; L21-F249 HydrophobicContact CD2-CZ 4.23Å; L21-L317 HydrophobicContact CD1-CD1 4.25Å; L21-L317 HydrophobicContact CD1-CD2 4.09Å
22A84.1Confident82.3Confident38 Ų3831.8 Ų31.831%0.31418%0.177SC..Hα-helixtrans-62.7-47.9173.600000111.5A18 A19 A24 I25 I26A18-A22 WeakPolarHBondContact O-CB 3.24Å; A18-A22 PolarHBondContact O-N 3.38Å; A19-A22 PolarHBondContact O-N 3.42Å; A22-A24 VanDerWaalsContact C-N 3.27Å; A22-A24 PolarHBondContact O-N 2.89Å; A22-I25 PolarHBondContact O-N 3.11Å; A22-I26 WeakPolarHBondContact O-CD1 3.38Å; A22-I26 VanDerWaalsContact O-CG1 3.24Å; A22-I26 WeakPolarHBondContact O-CG1 3.49Å; A22-I26 PolarHBondContact O-N 2.9Å; A22-I26 VanDerWaalsContact O-N 3.12Å
23A82.9Confident82.4Confident0 Ų033.1 Ų33.10%018%0.184CC..Hα-helixtrans-58.6-38.4175.100000112.3A19 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.26Å; A23-Y35 HydrophobicContact CB-CD2 4.18Å; A23-Y35 HydrophobicContact CB-CE2 4.27Å; A23-P125 HydrophobicContact CB-CB 4Å; A23-A129 HydrophobicContact CB-CB 4.2Å
24A84.1Confident82.8Confident0 Ų031.3 Ų31.30%018%0.18CC..Hα-helixtrans-64.3-53.1174.900000112.5L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.18Å; L20-A24 PolarHBondContact O-N 2.81Å; L21-A24 WeakPolarHBondContact O-CB 3.3Å; L21-A24 PolarHBondContact O-N 2.93Å; A22-A24 VanDerWaalsContact C-N 3.27Å; A22-A24 PolarHBondContact O-N 2.89Å; A24-I26 VanDerWaalsContact C-N 3.29Å; A24-I26 PolarHBondContact O-N 3.4Å; A24-R27 CarbonylContact O-C 3.53Å; A24-R27 VanDerWaalsContact O-C 3.24Å; A24-R27 PolarHBondContact O-N 3.35Å; A24-V36 HydrophobicContact CB-CG2 3.74Å; A24-Y253 HydrophobicContact CB-CE2 4.14Å; A24-Y253 WeakPolarHBondContact CB-OH 3.32Å; A24-Y253 PolarHBondContact O-OH 2.96Å
25I79.7Confident83.5Confident89 Ų8926.1 Ų26.146%0.45615%0.152SC..Hα-helixtrans-60.1-35.8-177.5-69.4163.2000112.3L21 A22 R27L21-I25 WeakPolarHBondContact O-CD1 3.42Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.26Å; L21-I25 PolarHBondContact O-N 2.97Å; A22-I25 PolarHBondContact O-N 3.11Å; I25-R27 PolarHBondContact O-N 3.28Å
26I77.6Confident83.6Confident34 Ų3422.2 Ų22.217%0.17413%0.132CC..Hα-helixtrans-66.1-23.5176.9-64.4161.1000111.8A22 A24 R121 L124 P125 I128A22-I26 WeakPolarHBondContact O-CD1 3.38Å; A22-I26 VanDerWaalsContact O-CG1 3.24Å; A22-I26 WeakPolarHBondContact O-CG1 3.49Å; A22-I26 PolarHBondContact O-N 2.9Å; A22-I26 VanDerWaalsContact O-N 3.12Å; A24-I26 VanDerWaalsContact C-N 3.29Å; A24-I26 PolarHBondContact O-N 3.4Å; I26-R121 HydrophobicContact CG2-CG 4.44Å; I26-L124 HydrophobicContact CD1-CD2 4.21Å; I26-L124 HydrophobicContact CD1-CG 4.47Å; I26-P125 HydrophobicContact CB-CG 4.03Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; I26-I128 HydrophobicContact CD1-CD1 3.73Å
27R77.7Confident83.7Confident12 Ų1226.3 Ų26.35%0.04515%0.154CC..  trans-149.168.3-169.1-162.6174.7-174.3-136.9-0.5113.8A24 I25 S29 S32 G107 P125 E126A24-R27 CarbonylContact O-C 3.53Å; A24-R27 VanDerWaalsContact O-C 3.24Å; A24-R27 PolarHBondContact O-N 3.35Å; I25-R27 PolarHBondContact O-N 3.28Å; R27-S29 PolarHBondContact O-N 3.39Å; R27-S29 VanDerWaalsContact O-N 3.11Å; R27-S29 PolarHBondContact O-OG 2.79Å; R27-S32 WeakPolarHBondContact O-CB 3.43Å; R27-S32 PolarHBondContact O-OG 2.69Å; R27-G107 PolarHBondContact NH1-O 2.96Å; R27-G107 VanDerWaalsContact NH2-C 3.26Å; R27-G107 PolarHBondContact NH2-O 3.26Å; R27-P125 HydrophobicContact CB-CG 3.81Å; R27-E126 IonicContact NH1-OE1 3.26Å; R27-E126 PolarHBondContact NH1-OE1 2.59Å
28P77.1Confident83.9Confident16 Ų1627.3 Ų27.310%0.10416%0.159CC..  trans-57.5115.9174.723.6-33.8000111.4Q256 M281P28-Q256 HydrophobicContact CB-CB 4.3Å; P28-M281 HydrophobicContact CG-CE 4.34Å; P28-M281 HydrophobicContact CG-SD 4.46Å
29S80.5Confident84.1Confident4 Ų424.8 Ų24.83%0.02814%0.138CC..SBendtrans-166.6161.4-169.255.20000110.8R27 L31 S32 I33 S105R27-S29 PolarHBondContact O-N 3.39Å; R27-S29 VanDerWaalsContact O-N 3.11Å; R27-S29 PolarHBondContact O-OG 2.79Å; S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 2.89Å; S29-S32 PolarHBondContact N-OG 3.42Å; S29-S32 PolarHBondContact O-N 3.05Å; S29-S32 VanDerWaalsContact O-N 3.13Å; S29-S32 PolarHBondContact O-OG 3.14Å; S29-S32 WeakPolarHBondContact OG-CB 3.38Å; S29-S32 PolarHBondContact OG-N 3.42Å; S29-S32 PolarHBondContact OG-OG 2.98Å; S29-I33 PolarHBondContact O-N 3.42Å; S29-S105 WeakPolarHBondContact CA-O 3.37Å
30F84.6Confident84.1Confident75 Ų7524.7 Ų24.733%0.32914%0.135SC..Hα-helixtrans-61.2-37.3177.8-70.6-69.4000113.1S32 I33 S105 I106 I257 I259 W264F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 2.93Å; F30-I33 HydrophobicContact CD1-CD1 3.91Å; F30-I33 WeakPolarHBondContact O-CB 3.36Å; F30-I33 PolarHBondContact O-N 3Å; F30-S105 VanDerWaalsContact CD2-O 3.28Å; F30-S105 WeakPolarHBondContact CD2-O 3.37Å; F30-S105 PolarHBondContact N-O 2.88Å; F30-I106 PolarHBondContact N-O 3.08Å; F30-I257 HydrophobicContact CD1-CD1 4.21Å; F30-I257 HydrophobicContact CE1-CD1 4.28Å; F30-I257 HydrophobicContact CE2-CG2 4.37Å; F30-I257 HydrophobicContact CZ-CG2 4.48Å; F30-I259 HydrophobicContact CE2-CG2 3.85Å; F30-I259 HydrophobicContact CZ-CG2 3.8Å; F30-W264 HydrophobicContact CZ-CH2 4.07Å
31L83.6Confident84Confident53 Ų5328 Ų2828%0.27716%0.155SC..Hα-helixtrans-61.1-39.3174.3-73.4166.6000112.4S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.31Å; S29-L31 PolarHBondContact O-N 2.89Å; L31-I33 PolarHBondContact O-N 3.12Å; L31-G34 PolarHBondContact O-N 2.81Å; L31-V72 HydrophobicContact CD1-CG1 4.29Å; L31-V72 HydrophobicContact CD2-CG2 4.28Å; L31-I106 WeakPolarHBondContact CB-O 3.5Å; L31-I106 HydrophobicContact CD1-CG2 4.07Å; L31-I106 HydrophobicContact CG-CG2 4.29Å; L31-I106 VanDerWaalsContact CG-O 3.3Å; L31-I106 WeakPolarHBondContact CG-O 3.44Å; L31-I106 PolarHBondContact N-O 3.29Å
32S82.1Confident84Confident1 Ų127.2 Ų27.21%0.00715%0.151CC..Hα-helixtrans-66.1-20.8-179.571.90000114.7R27 S29 F30 G34 Y35 V36 Y253R27-S32 WeakPolarHBondContact O-CB 3.43Å; R27-S32 PolarHBondContact O-OG 2.69Å; S29-S32 PolarHBondContact N-OG 3.42Å; S29-S32 PolarHBondContact O-N 3.05Å; S29-S32 VanDerWaalsContact O-N 3.13Å; S29-S32 PolarHBondContact O-OG 3.14Å; S29-S32 WeakPolarHBondContact OG-CB 3.38Å; S29-S32 PolarHBondContact OG-N 3.42Å; S29-S32 PolarHBondContact OG-OG 2.98Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 2.93Å; S32-G34 PolarHBondContact O-N 2.68Å; S32-Y35 WeakPolarHBondContact O-CB 3.46Å; S32-Y35 PolarHBondContact O-N 2.96Å; S32-V36 PolarHBondContact O-N 3.39Å; S32-V36 VanDerWaalsContact O-N 3.15Å; S32-Y253 VanDerWaalsContact CB-OH 3.25Å; S32-Y253 WeakPolarHBondContact CB-OH 3.5Å; S32-Y253 PolarHBondContact OG-OH 3.3Å
33I84.5Confident83.6Confident33 Ų3325.8 Ų25.817%0.16914%0.139CC..Hα-helixtrans-58.4-32.4172-57.4177.3000110.1S29 F30 L31 V36 L37 L250 Y253 I257S29-I33 PolarHBondContact O-N 3.42Å; F30-I33 HydrophobicContact CD1-CD1 3.91Å; F30-I33 WeakPolarHBondContact O-CB 3.36Å; F30-I33 PolarHBondContact O-N 3Å; L31-I33 PolarHBondContact O-N 3.12Å; I33-V36 PolarHBondContact O-N 3.01Å; I33-L37 HydrophobicContact CG2-CD1 4.11Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CB 3.37Å; I33-L37 WeakPolarHBondContact O-CG 3.45Å; I33-L37 PolarHBondContact O-N 3.19Å; I33-L250 HydrophobicContact CG2-CD2 4.11Å; I33-Y253 HydrophobicContact CG1-CE1 4.3Å; I33-I257 HydrophobicContact CD1-CD1 3.9Å; I33-I257 HydrophobicContact CG1-CD1 4.29Å
34G86.5Confident83.5Confident15 Ų1530.1 Ų30.116%0.15517%0.166CC..Hα-helixtrans-60.4-43.217300000113.1L31 S32 L37 L38L31-G34 PolarHBondContact O-N 2.81Å; S32-G34 PolarHBondContact O-N 2.68Å; G34-L37 PolarHBondContact O-N 3.25Å; G34-L38 WeakPolarHBondContact O-CB 3.47Å; G34-L38 WeakPolarHBondContact O-CD1 3.34Å; G34-L38 VanDerWaalsContact O-CG 3.25Å; G34-L38 WeakPolarHBondContact O-CG 3.22Å; G34-L38 PolarHBondContact O-N 2.69Å
35Y89.5Confident83.2Confident5 Ų530.5 Ų30.52%0.0217%0.167CC..Hα-helixtrans-65.4-40.7175.4-52-44.1000111.9L20 A23 S32 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.87Å; L20-Y35 HydrophobicContact CD2-CG 4.29Å; A23-Y35 HydrophobicContact CB-CD2 4.18Å; A23-Y35 HydrophobicContact CB-CE2 4.27Å; S32-Y35 WeakPolarHBondContact O-CB 3.46Å; S32-Y35 PolarHBondContact O-N 2.96Å; Y35-L38 PolarHBondContact O-N 2.83Å; Y35-A39 WeakPolarHBondContact O-CB 3.46Å; Y35-A39 PolarHBondContact O-N 3.47Å; Y35-F68 HydrophobicContact CD1-CD1 4.1Å; Y35-F68 AromaticContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CE1-CD1 4.04Å; Y35-F68 AromaticContact CE1-CE1 3.8Å; Y35-F68 HydrophobicContact CE1-CE1 3.8Å; Y35-E126 PolarHBondContact OH-OE1 3.41Å; Y35-E126 PolarHBondContact OH-OE2 2.85Å; Y35-A129 HydrophobicContact CE1-CB 4.15Å
36V86.8Confident82.7Confident0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-61.8-46176.51760000110.9A24 S32 I33 L38 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.74Å; S32-V36 PolarHBondContact O-N 3.39Å; S32-V36 VanDerWaalsContact O-N 3.15Å; I33-V36 PolarHBondContact O-N 3.01Å; V36-L38 PolarHBondContact O-N 3.25Å; V36-A39 PolarHBondContact O-N 3.06Å; V36-L40 HydrophobicContact CG1-CD1 3.99Å; V36-L40 HydrophobicContact CG1-CG 4.44Å; V36-L40 WeakPolarHBondContact O-CG 3.37Å; V36-L40 PolarHBondContact O-N 3.36Å; V36-F249 HydrophobicContact CG1-CD1 4.11Å; V36-F249 HydrophobicContact CG1-CE1 3.88Å; V36-Y253 HydrophobicContact CG2-CD1 4.15Å; V36-Y253 HydrophobicContact CG2-CD2 4.18Å; V36-Y253 HydrophobicContact CG2-CE1 3.92Å; V36-Y253 HydrophobicContact CG2-CE2 3.95Å; V36-Y253 HydrophobicContact CG2-CG 4.29Å
37L87.4Confident82.2Confident87 Ų8729.6 Ų29.646%0.45517%0.17SC..Hα-helixtrans-60.4-45.5175.3-74.9168000111.9I33 G34 A39 L40 V41 L250I33-L37 HydrophobicContact CG2-CD1 4.11Å; I33-L37 HydrophobicContact CG2-CG 4.41Å; I33-L37 WeakPolarHBondContact O-CB 3.37Å; I33-L37 WeakPolarHBondContact O-CG 3.45Å; I33-L37 PolarHBondContact O-N 3.19Å; G34-L37 PolarHBondContact O-N 3.25Å; L37-A39 VanDerWaalsContact C-N 3.35Å; L37-A39 PolarHBondContact O-N 3.29Å; L37-L40 PolarHBondContact O-N 3Å; L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.34Å; L37-V41 PolarHBondContact O-N 3.43Å; L37-L250 HydrophobicContact CD2-CD1 4.34Å
38L89.2Confident81.8Confident23 Ų2330.2 Ų30.212%0.1217%0.174CC..Hα-helixtrans-63.1-38.7177-71166000112.1L20 G34 Y35 V36 V41 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.82Å; G34-L38 WeakPolarHBondContact O-CB 3.47Å; G34-L38 WeakPolarHBondContact O-CD1 3.34Å; G34-L38 VanDerWaalsContact O-CG 3.25Å; G34-L38 WeakPolarHBondContact O-CG 3.22Å; G34-L38 PolarHBondContact O-N 2.69Å; Y35-L38 PolarHBondContact O-N 2.83Å; V36-L38 PolarHBondContact O-N 3.25Å; L38-V41 PolarHBondContact O-N 2.91Å; L38-S42 PolarHBondContact O-N 3.27Å; L38-F61 HydrophobicContact CD2-CE2 3.93Å; L38-F61 WeakPolarHBondContact O-CZ 3.38Å; L38-T65 HydrophobicContact CD1-CG2 4.39Å; L38-F68 HydrophobicContact CD1-CB 4.29Å; L38-F68 HydrophobicContact CD1-CD1 3.82Å; L38-F68 HydrophobicContact CD1-CG 4.17Å
39A87.2Confident81.1Confident1 Ų136.4 Ų36.41%0.00820%0.195CC..Hα-helixtrans-66.4-44.8175.800000112.4P17 L20 L21 Y35 V36 L37 V41 S42 A43 Y321P17-A39 HydrophobicContact CB-CB 3.98Å; L20-A39 HydrophobicContact CB-CB 4.05Å; L21-A39 HydrophobicContact CD1-CB 4.26Å; L21-A39 HydrophobicContact CD2-CB 4.32Å; L21-A39 HydrophobicContact CG-CB 3.82Å; Y35-A39 WeakPolarHBondContact O-CB 3.46Å; Y35-A39 PolarHBondContact O-N 3.47Å; V36-A39 PolarHBondContact O-N 3.06Å; L37-A39 VanDerWaalsContact C-N 3.35Å; L37-A39 PolarHBondContact O-N 3.29Å; A39-V41 VanDerWaalsContact C-N 3.34Å; A39-V41 PolarHBondContact O-N 3.25Å; A39-S42 WeakPolarHBondContact O-CB 3.46Å; A39-S42 PolarHBondContact O-N 2.68Å; A39-A43 PolarHBondContact O-N 3.23Å; A39-Y321 PolarHBondContact O-OH 3.34Å
40L86.8Confident79.8Confident14 Ų1444.3 Ų44.37%0.07323%0.229CC..Hα-helixtrans-63.6-38.7175.4-68.2171.3000111.6V36 L37 A43 F320V36-L40 HydrophobicContact CG1-CD1 3.99Å; V36-L40 HydrophobicContact CG1-CG 4.44Å; V36-L40 WeakPolarHBondContact O-CG 3.37Å; V36-L40 PolarHBondContact O-N 3.36Å; L37-L40 PolarHBondContact O-N 3Å; L40-A43 WeakPolarHBondContact O-CB 3.33Å; L40-A43 PolarHBondContact O-N 2.74Å; L40-F320 HydrophobicContact CB-CE1 4.45Å; L40-F320 HydrophobicContact CB-CZ 4.31Å; L40-F320 HydrophobicContact CD2-CD1 3.8Å; L40-F320 HydrophobicContact CD2-CE1 3.47Å; L40-F320 VanDerWaalsContact CD2-CE1 3.47Å; L40-F320 HydrophobicContact CD2-CE2 4.36Å; L40-F320 HydrophobicContact CD2-CG 4.37Å; L40-F320 HydrophobicContact CD2-CZ 3.79Å
41V86.6Confident78.6Confident71 Ų7145.5 Ų45.543%0.4325%0.247SC..Hα-helixtrans-66.8-38175.7168.80000112L37 L38 A39 A43 V44 L45 F61L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.34Å; L37-V41 PolarHBondContact O-N 3.43Å; L38-V41 PolarHBondContact O-N 2.91Å; A39-V41 VanDerWaalsContact C-N 3.34Å; A39-V41 PolarHBondContact O-N 3.25Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.4Å; V41-V44 WeakPolarHBondContact O-CA 3.4Å; V41-V44 WeakPolarHBondContact O-CB 3.36Å; V41-V44 PolarHBondContact O-N 3.33Å; V41-L45 PolarHBondContact O-N 3.37Å; V41-F61 HydrophobicContact CB-CE2 4.1Å; V41-F61 HydrophobicContact CG1-CD2 3.8Å; V41-F61 HydrophobicContact CG1-CE2 3.66Å
42S85.1Confident77.3Confident0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-53.4-43.5175.1164.70000112.1V12 L38 A39 V44 L45V12-S42 PolarHBondContact O-OG 3.5Å; L38-S42 PolarHBondContact O-N 3.27Å; A39-S42 WeakPolarHBondContact O-CB 3.46Å; A39-S42 PolarHBondContact O-N 2.68Å; S42-V44 PolarHBondContact O-N 2.85Å; S42-V44 VanDerWaalsContact O-N 3.08Å; S42-L45 WeakPolarHBondContact O-CB 3.43Å; S42-L45 PolarHBondContact O-N 3.26Å; S42-L45 VanDerWaalsContact O-N 3.11Å
43A77.1Confident76.2Confident9 Ų953.2 Ų53.27%0.07430%0.3CS..Hα-helixtrans-56.7-27.5177.100000113A39 L40 V41 F320 Y321 V324 K328A39-A43 PolarHBondContact O-N 3.23Å; L40-A43 WeakPolarHBondContact O-CB 3.33Å; L40-A43 PolarHBondContact O-N 2.74Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.4Å; A43-F320 HydrophobicContact CB-CE1 3.68Å; A43-F320 HydrophobicContact CB-CZ 4.27Å; A43-Y321 HydrophobicContact CB-CD1 3.98Å; A43-Y321 HydrophobicContact CB-CE1 3.54Å; A43-V324 HydrophobicContact CB-CG1 4.39Å; A43-V324 VanDerWaalsContact O-CG1 3.28Å; A43-V324 WeakPolarHBondContact O-CG1 3.34Å; A43-K328 PolarHBondContact O-NZ 3.13Å
44V80Confident75.3Confident91 Ų9154.9 Ų54.955%0.55231%0.309SS*.Hα-helixtrans-85.7-18.9-177.6-172.60000113.1V41 S42 K328V41-V44 WeakPolarHBondContact O-CA 3.4Å; V41-V44 WeakPolarHBondContact O-CB 3.36Å; V41-V44 PolarHBondContact O-N 3.33Å; S42-V44 PolarHBondContact O-N 2.85Å; S42-V44 VanDerWaalsContact O-N 3.08Å; V44-K328 VanDerWaalsContact O-CE 3.22Å; V44-K328 WeakPolarHBondContact O-CE 3.37Å; V44-K328 PolarHBondContact O-NZ 3.26Å
45L78.2Confident74.5Confident7 Ų756.3 Ų56.34%0.03732%0.316CS..PPolyproline II helixtrans-62148.3-175.1-66.1171.8000116.5V12 K13 V41 S42 L57 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.75Å; K13-L45 WeakPolarHBondContact CE-O 3.41Å; V41-L45 PolarHBondContact O-N 3.37Å; S42-L45 WeakPolarHBondContact O-CB 3.43Å; S42-L45 PolarHBondContact O-N 3.26Å; S42-L45 VanDerWaalsContact O-N 3.11Å; L45-L57 HydrophobicContact CD2-CD2 4.28Å; L45-F61 HydrophobicContact CD1-CB 4.42Å; L45-F61 HydrophobicContact CD1-CD1 3.43Å; L45-F61 VanDerWaalsContact CD1-CD1 3.43Å; L45-F61 HydrophobicContact CD1-CD2 4.36Å; L45-F61 HydrophobicContact CD1-CE1 3.67Å; L45-F61 HydrophobicContact CD1-CG 3.8Å; L45-F61 HydrophobicContact CD1-CZ 4.25Å; L45-F61 HydrophobicContact CD2-CB 4.31Å; L45-F61 HydrophobicContact CD2-CG 4.32Å; L45-K328 PolarHBondContact O-NZ 3.09Å
46P69.8Low73.8Confident51 Ų5165.3 Ų65.333%0.33136%0.355SS..PPolyproline II helixtrans-67.9156.4177.629-35.3000113.2V58P46-V58 HydrophobicContact CG-CG2 3.95Å
47P67Low73.5Confident54 Ų5470.6 Ų70.635%0.35138%0.382SS..PPolyproline II helixtrans-75.6142.2171.831.7-33.2000112.7
48I68.1Low73.1Confident24 Ų2466.5 Ų66.512%0.12336%0.361CS..PPolyproline II helixtrans-75.6127.9170-59169000107.9P5 K8 L54P5-I48 HydrophobicContact CB-CG2 4.2Å; K8-I48 HydrophobicContact CB-CD1 3.71Å; I48-L54 HydrophobicContact CD1-CD1 4.08Å; I48-L54 HydrophobicContact CG1-CD1 4.3Å
49R63.2Low72.6Confident146 Ų14665.9 Ų65.955%0.55136%0.36SS*.  trans-112.2158.8-177.5-67.6-170.6179.3-158.42.1110.9S51R49-S51 PolarHBondContact O-N 2.92Å
50K52.7Low72.4Confident171 Ų17169.3 Ų69.374%0.74338%0.381SS*.THydrogen-bonded Turntrans-62-23.5177.8-86.4-165.7171-164.70115.1P5P5-K50 HydrophobicContact CG-CG 3.89Å
51S58.5Low72.5Confident100 Ų10069.4 Ų69.470%0.69938%0.381SS*.THydrogen-bonded Turntrans-12111.6-162.554.90000115.2R49R49-S51 PolarHBondContact O-N 2.92Å
52L56.6Low72.4Confident123 Ų12366 Ų6664%0.64436%0.36SS*.SBendtrans-133.2143176.7-83.788.2000110.6
53A59.6Low72.5Confident92 Ų9269.3 Ų69.376%0.7638%0.377SS*.PPolyproline II helixtrans-54.8153.2168.600000111.8P55A53-P55 WeakPolarHBondContact O-CD 3.21Å
54L64.8Low73.1Confident68 Ų6873.7 Ų73.736%0.35640%0.399SS..PPolyproline II helixtrans-56.9124-175.5-169.177.4000110.7I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.08Å; I48-L54 HydrophobicContact CG1-CD1 4.3Å; L54-K56 PolarHBondContact O-N 3.17Å; L54-V140 HydrophobicContact CD1-CG1 3.84Å; L54-V140 HydrophobicContact CD2-CG1 3.68Å; L54-V140 HydrophobicContact CG-CG1 4.4Å
55P70.1Confident73.4Confident46 Ų4669.4 Ų69.430%0.29937%0.373SS..PPolyproline II helixtrans-61.8128.4-177.1-23.833.4000111.4A53 L57 V58 G59A53-P55 WeakPolarHBondContact O-CD 3.21Å; P55-L57 PolarHBondContact O-N 3.3Å; P55-V58 HydrophobicContact CB-CG2 4.16Å; P55-V58 HydrophobicContact CG-CG2 4.37Å; P55-V58 PolarHBondContact O-N 2.89Å; P55-G59 PolarHBondContact O-N 2.79Å
56K75.3Confident74Confident194 Ų19471.8 Ų71.884%0.84338%0.383SS*.Hα-helixtrans-47.9-40.1-179.8-72.1-172.1176-176.20112.9L54 V58 G59 T60L54-K56 PolarHBondContact O-N 3.17Å; K56-V58 VanDerWaalsContact C-N 3.34Å; K56-V58 PolarHBondContact O-N 3.34Å; K56-G59 PolarHBondContact O-N 3.11Å; K56-T60 PolarHBondContact O-N 3.37Å; K56-T60 PolarHBondContact O-OG1 3.26Å
57L79.3Confident74.9Confident110 Ų11074 Ų7458%0.57639%0.391SS*.Hα-helixtrans-60.6-35.4177.3-165.180.6000114L45 P55 T60 F61L45-L57 HydrophobicContact CD2-CD2 4.28Å; P55-L57 PolarHBondContact O-N 3.3Å; L57-T60 WeakPolarHBondContact CA-OG1 3.39Å; L57-T60 PolarHBondContact O-OG1 3.41Å; L57-F61 VanDerWaalsContact O-CB 3.24Å; L57-F61 WeakPolarHBondContact O-CB 3.14Å; L57-F61 PolarHBondContact O-N 2.91Å
58V79.8Confident76.1Confident2 Ų274.6 Ų74.61%0.01239%0.388CS..Hα-helixtrans-76.5-39.1178.1177.10000109.9P46 P55 K56 V62P46-V58 HydrophobicContact CG-CG2 3.95Å; P55-V58 HydrophobicContact CB-CG2 4.16Å; P55-V58 HydrophobicContact CG-CG2 4.37Å; P55-V58 PolarHBondContact O-N 2.89Å; K56-V58 VanDerWaalsContact C-N 3.34Å; K56-V58 PolarHBondContact O-N 3.34Å; V58-V62 WeakPolarHBondContact O-CG2 3.19Å; V58-V62 PolarHBondContact O-N 2.94Å; V58-V62 VanDerWaalsContact O-N 3.11Å
59G79.4Confident77.1Confident10 Ų1073.5 Ų73.510%0.10338%0.383CS..Hα-helixtrans-59.9-53.3172.100000112P55 K56 F61 V62 I63P55-G59 PolarHBondContact O-N 2.79Å; K56-G59 PolarHBondContact O-N 3.11Å; G59-F61 PolarHBondContact O-N 3.19Å; G59-V62 PolarHBondContact O-N 2.95Å; G59-I63 VanDerWaalsContact O-CG1 3.27Å; G59-I63 WeakPolarHBondContact O-CG1 3.22Å; G59-I63 PolarHBondContact O-N 2.84Å
60T83.4Confident78.3Confident72 Ų7270 Ų7044%0.44237%0.374SS..Hα-helixtrans-63.3-40.1178.545.60000112.8K56 L57 V62 I63 I64K56-T60 PolarHBondContact O-N 3.37Å; K56-T60 PolarHBondContact O-OG1 3.26Å; L57-T60 WeakPolarHBondContact CA-OG1 3.39Å; L57-T60 PolarHBondContact O-OG1 3.41Å; T60-V62 PolarHBondContact O-N 3.41Å; T60-I63 PolarHBondContact O-N 3.4Å; T60-I64 WeakPolarHBondContact O-CB 3.21Å; T60-I64 WeakPolarHBondContact O-CD1 3.37Å; T60-I64 WeakPolarHBondContact O-CG1 3.47Å; T60-I64 PolarHBondContact O-N 3.5Å
61F87.3Confident80Confident16 Ų1664.6 Ų64.67%0.0736%0.362CS..Hα-helixtrans-58.6-46175.3172.4-95000112.5L16 L38 V41 L45 L57 G59 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.81Å; L38-F61 HydrophobicContact CD2-CE2 3.93Å; L38-F61 WeakPolarHBondContact O-CZ 3.38Å; V41-F61 HydrophobicContact CB-CE2 4.1Å; V41-F61 HydrophobicContact CG1-CD2 3.8Å; V41-F61 HydrophobicContact CG1-CE2 3.66Å; L45-F61 HydrophobicContact CD1-CB 4.42Å; L45-F61 HydrophobicContact CD1-CD1 3.43Å; L45-F61 VanDerWaalsContact CD1-CD1 3.43Å; L45-F61 HydrophobicContact CD1-CD2 4.36Å; L45-F61 HydrophobicContact CD1-CE1 3.67Å; L45-F61 HydrophobicContact CD1-CG 3.8Å; L45-F61 HydrophobicContact CD1-CZ 4.25Å; L45-F61 HydrophobicContact CD2-CB 4.31Å; L45-F61 HydrophobicContact CD2-CG 4.32Å; L57-F61 VanDerWaalsContact O-CB 3.24Å; L57-F61 WeakPolarHBondContact O-CB 3.14Å; L57-F61 PolarHBondContact O-N 2.91Å; G59-F61 PolarHBondContact O-N 3.19Å; F61-I64 PolarHBondContact O-N 3Å; F61-T65 WeakPolarHBondContact O-CB 3.46Å; F61-T65 PolarHBondContact O-N 3.37Å; F61-T65 PolarHBondContact O-OG1 3.34Å
62V86.2Confident81.4Confident0 Ų060.4 Ų60.40%033%0.332CS..Hα-helixtrans-66.3-39.7179.8170.40000111.1V58 G59 T60 T65 F66 I137V58-V62 WeakPolarHBondContact O-CG2 3.19Å; V58-V62 PolarHBondContact O-N 2.94Å; V58-V62 VanDerWaalsContact O-N 3.11Å; G59-V62 PolarHBondContact O-N 2.95Å; T60-V62 PolarHBondContact O-N 3.41Å; V62-T65 PolarHBondContact O-N 3.1Å; V62-F66 PolarHBondContact O-N 2.87Å; V62-F66 VanDerWaalsContact O-N 3.08Å; V62-I137 HydrophobicContact CG1-CB 4.4Å; V62-I137 HydrophobicContact CG1-CG1 3.49Å; V62-I137 VanDerWaalsContact CG1-CG1 3.49Å
63I86.6Confident82.7Confident70 Ų7056 Ų5636%0.35931%0.314SS..Hα-helixtrans-63.9-48.7174.7-66.1167.8000111.3G59 T60 T65 F66 L67 M141G59-I63 VanDerWaalsContact O-CG1 3.27Å; G59-I63 WeakPolarHBondContact O-CG1 3.22Å; G59-I63 PolarHBondContact O-N 2.84Å; T60-I63 PolarHBondContact O-N 3.4Å; I63-T65 VanDerWaalsContact C-N 3.31Å; I63-T65 PolarHBondContact O-N 3.48Å; I63-F66 PolarHBondContact O-N 3.45Å; I63-L67 HydrophobicContact CG2-CD1 3.81Å; I63-L67 HydrophobicContact CG2-CG 4.32Å; I63-L67 WeakPolarHBondContact O-CG 3.34Å; I63-L67 PolarHBondContact O-N 3.48Å; I63-M141 HydrophobicContact CD1-CE 4.17Å; I63-M141 HydrophobicContact CD1-SD 4.37Å; I63-M141 HydrophobicContact CG1-CE 3.84Å; I63-M141 HydrophobicContact CG1-SD 4.44Å
64I88.4Confident84Confident101 Ų10157.2 Ų57.252%0.51831%0.307SS..Hα-helixtrans-61.2-41.1178.6-69.8164.6000110.7T60 F61 F66 L67 F68T60-I64 WeakPolarHBondContact O-CB 3.21Å; T60-I64 WeakPolarHBondContact O-CD1 3.37Å; T60-I64 WeakPolarHBondContact O-CG1 3.47Å; T60-I64 PolarHBondContact O-N 3.5Å; F61-I64 PolarHBondContact O-N 3Å; I64-F66 PolarHBondContact O-N 2.93Å; I64-L67 PolarHBondContact O-N 3.25Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 PolarHBondContact O-N 2.83Å
65T88.3Confident84.9Confident1 Ų155.3 Ų55.31%0.00630%0.303CS..Hα-helixtrans-61-46177.3-56.50000111.2L16 L20 L38 F61 V62 I63 F68 C69L16-T65 HydrophobicContact CD1-CG2 4.14Å; L16-T65 HydrophobicContact CD2-CG2 4.42Å; L20-T65 HydrophobicContact CD1-CG2 4.23Å; L20-T65 HydrophobicContact CD2-CG2 4.41Å; L38-T65 HydrophobicContact CD1-CG2 4.39Å; F61-T65 WeakPolarHBondContact O-CB 3.46Å; F61-T65 PolarHBondContact O-N 3.37Å; F61-T65 PolarHBondContact O-OG1 3.34Å; V62-T65 PolarHBondContact O-N 3.1Å; I63-T65 VanDerWaalsContact C-N 3.31Å; I63-T65 PolarHBondContact O-N 3.48Å; T65-F68 PolarHBondContact O-N 3.33Å; T65-C69 PolarHBondContact O-N 3.31Å; T65-C69 PolarHBondContact O-SG 3.39Å
66F89.7Confident85.4Confident57 Ų5753.5 Ų53.525%0.2529%0.292CS..Hα-helixtrans-65-45.9176.4175.1-102.2000112.7V62 I63 I64 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 2.87Å; V62-F66 VanDerWaalsContact O-N 3.08Å; I63-F66 PolarHBondContact O-N 3.45Å; I64-F66 PolarHBondContact O-N 2.93Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.31Å; F66-C69 PolarHBondContact O-N 2.89Å; F66-L70 HydrophobicContact CE1-CD2 4.22Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.28Å; F66-L70 WeakPolarHBondContact O-CB 3.24Å; F66-L70 PolarHBondContact O-N 2.88Å; F66-A133 HydrophobicContact CB-CB 4.13Å; F66-A133 HydrophobicContact CD2-CB 4.11Å; F66-L134 HydrophobicContact CE2-CD1 4.33Å; F66-I137 HydrophobicContact CB-CD1 3.43Å; F66-I137 VanDerWaalsContact CB-CD1 3.43Å; F66-I137 HydrophobicContact CB-CG1 4.42Å; F66-I137 HydrophobicContact CD1-CD1 3.78Å; F66-I137 HydrophobicContact CD2-CD1 3.91Å; F66-I137 HydrophobicContact CG-CD1 3.42Å; F66-I137 VanDerWaalsContact CG-CD1 3.42Å
67L89.7Confident85.6Confident97 Ų9745.9 Ų45.951%0.50827%0.268SS..Hα-helixtrans-61.2-38.9177.6-71.1173.3000112I63 I64 A71I63-L67 HydrophobicContact CG2-CD1 3.81Å; I63-L67 HydrophobicContact CG2-CG 4.32Å; I63-L67 WeakPolarHBondContact O-CG 3.34Å; I63-L67 PolarHBondContact O-N 3.48Å; I64-L67 PolarHBondContact O-N 3.25Å; L67-A71 VanDerWaalsContact O-CB 3.29Å; L67-A71 WeakPolarHBondContact O-CB 3.43Å; L67-A71 PolarHBondContact O-N 3.44Å
68F90.9Very high85.8Confident67 Ų6744 Ų4429%0.29426%0.264SS..Hα-helixtrans-64.8-49.8174.6-173.8-97.2000111.5Y35 L38 I64 T65 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.1Å; Y35-F68 AromaticContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CD1-CE1 3.82Å; Y35-F68 HydrophobicContact CE1-CD1 4.04Å; Y35-F68 AromaticContact CE1-CE1 3.8Å; Y35-F68 HydrophobicContact CE1-CE1 3.8Å; L38-F68 HydrophobicContact CD1-CB 4.29Å; L38-F68 HydrophobicContact CD1-CD1 3.82Å; L38-F68 HydrophobicContact CD1-CG 4.17Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 PolarHBondContact O-N 2.83Å; T65-F68 PolarHBondContact O-N 3.33Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.31Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 3.45Å; F68-A71 PolarHBondContact O-N 3.07Å; F68-V72 HydrophobicContact CD1-CG2 4.25Å; F68-V72 HydrophobicContact CE1-CG2 3.86Å; F68-V72 HydrophobicContact CE2-CG2 4.4Å; F68-V72 HydrophobicContact CZ-CG2 3.94Å; F68-V72 WeakPolarHBondContact O-CG2 3.17Å; F68-V72 PolarHBondContact O-N 3.48Å
69C89.5Confident85.9Confident0 Ų045.3 Ų45.30%027%0.269CS..Hα-helixtrans-61.6-38178.3-60.90000112.1T65 F66 A73 A129 T130T65-C69 PolarHBondContact O-N 3.31Å; T65-C69 PolarHBondContact O-SG 3.39Å; F66-C69 PolarHBondContact O-N 2.89Å; C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.42Å; C69-A73 PolarHBondContact O-N 2.91Å; C69-A129 HydrophobicContact CB-CB 4.36Å; C69-T130 HydrophobicContact CB-CG2 3.87Å
70L89.3Confident85.8Confident72 Ų7246.5 Ų46.538%0.37727%0.272SS..Hα-helixtrans-65.7-43.9175.4-173.669.7000111.7F66 F68 A73 L74F66-L70 HydrophobicContact CE1-CD2 4.22Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.28Å; F66-L70 WeakPolarHBondContact O-CB 3.24Å; F66-L70 PolarHBondContact O-N 2.88Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 3.45Å; L70-A73 PolarHBondContact O-N 2.91Å; L70-L74 HydrophobicContact CG-CD1 4.15Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.11Å
71A88.1Confident85.5Confident59 Ų5948.5 Ų48.549%0.48828%0.279SS..Hα-helixtrans-65-40.9178.600000112.5L67 F68 L74 G75L67-A71 VanDerWaalsContact O-CB 3.29Å; L67-A71 WeakPolarHBondContact O-CB 3.43Å; L67-A71 PolarHBondContact O-N 3.44Å; F68-A71 PolarHBondContact O-N 3.07Å; A71-L74 PolarHBondContact O-N 3.3Å; A71-G75 PolarHBondContact O-N 3.46Å
72V86.4Confident85Confident11 Ų1150.4 Ų50.47%0.06729%0.294CS..Hα-helixtrans-67.6-44.7175.5-175.70000110.9L31 F68 L74 G75 V76 E126L31-V72 HydrophobicContact CD1-CG1 4.29Å; L31-V72 HydrophobicContact CD2-CG2 4.28Å; F68-V72 HydrophobicContact CD1-CG2 4.25Å; F68-V72 HydrophobicContact CE1-CG2 3.86Å; F68-V72 HydrophobicContact CE2-CG2 4.4Å; F68-V72 HydrophobicContact CZ-CG2 3.94Å; F68-V72 WeakPolarHBondContact O-CG2 3.17Å; F68-V72 PolarHBondContact O-N 3.48Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.49Å; V72-G75 PolarHBondContact O-N 2.87Å; V72-G75 VanDerWaalsContact O-N 3.12Å; V72-V76 HydrophobicContact CG1-CG2 4.28Å; V72-V76 WeakPolarHBondContact O-CG2 3.41Å; V72-V76 PolarHBondContact O-N 2.76Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.37Å
73A85.2Confident84.2Confident32 Ų3251.9 Ų51.926%0.26430%0.301SS..Hα-helixtrans-59.2-39.9176.100000112.7C69 L70 G77 E126 T130C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.42Å; C69-A73 PolarHBondContact O-N 2.91Å; L70-A73 PolarHBondContact O-N 2.91Å; A73-G77 PolarHBondContact O-N 2.87Å; A73-E126 HydrophobicContact CB-CB 4.3Å; A73-T130 HydrophobicContact CB-CG2 4.06Å
74L86.2Confident83.3Confident116 Ų11655.8 Ų55.861%0.60732%0.317SS*.Hα-helixtrans-66.7-40.6174-73168.9000112.5L70 A71 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.15Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.11Å; A71-L74 PolarHBondContact O-N 3.3Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.49Å; L74-G77 PolarHBondContact O-N 3.35Å; L74-S78 PolarHBondContact O-N 2.77Å; L74-S78 PolarHBondContact O-OG 3.31Å
75G83Confident82.4Confident28 Ų2856.5 Ų56.529%0.28933%0.326SS..Hα-helixtrans-69.1-35.5177.200000114A71 V72 S78 Y79A71-G75 PolarHBondContact O-N 3.46Å; V72-G75 PolarHBondContact O-N 2.87Å; V72-G75 VanDerWaalsContact O-N 3.12Å; G75-S78 PolarHBondContact O-OG 2.66Å; G75-S78 VanDerWaalsContact O-OG 3.13Å; G75-Y79 WeakPolarHBondContact O-CB 3.14Å; G75-Y79 PolarHBondContact O-N 3.41Å
76V81.5Confident81.4Confident9 Ų961 Ų616%0.05535%0.354CS..Hα-helixtrans-68.5-43.1170.4174.50000110.1V72 Y79 Q80 L108 E126V72-V76 HydrophobicContact CG1-CG2 4.28Å; V72-V76 WeakPolarHBondContact O-CG2 3.41Å; V72-V76 PolarHBondContact O-N 2.76Å; V76-Y79 PolarHBondContact O-N 3.09Å; V76-Q80 WeakPolarHBondContact O-CG 3.32Å; V76-Q80 PolarHBondContact O-N 2.98Å; V76-L108 HydrophobicContact CG2-CD2 4.4Å; V76-E126 HydrophobicContact CG2-CG 4.36Å
77G80.3Confident80Confident33 Ų3361.3 Ų61.334%0.3436%0.356SS..Hα-helixtrans-58.5-47.9177.100000113.2A73 L74 Y79 Q80 I81A73-G77 PolarHBondContact O-N 2.87Å; L74-G77 PolarHBondContact O-N 3.35Å; G77-Y79 VanDerWaalsContact C-N 3.34Å; G77-Y79 PolarHBondContact O-N 2.99Å; G77-Q80 PolarHBondContact O-N 3.44Å; G77-I81 WeakPolarHBondContact O-CD1 3.49Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.37Å; G77-I81 PolarHBondContact O-N 3.49Å; G77-I81 VanDerWaalsContact O-N 3.12Å
78S82.8Confident78.4Confident71 Ų7165.3 Ų65.350%0.49737%0.369SS..Hα-helixtrans-65.5-34.6177.762.30000112.9L74 G75 I81 S82L74-S78 PolarHBondContact O-N 2.77Å; L74-S78 PolarHBondContact O-OG 3.31Å; G75-S78 PolarHBondContact O-OG 2.66Å; G75-S78 VanDerWaalsContact O-OG 3.13Å; S78-I81 PolarHBondContact O-N 3.29Å; S78-S82 PolarHBondContact O-N 3.48Å; S78-S82 PolarHBondContact O-OG 2.88Å
79Y81.7Confident76.6Confident29 Ų2969.1 Ų69.111%0.11439%0.393CS..Hα-helixtrans-68.2-41.4174.8177-104.2000113.4G75 V76 G77 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 3.14Å; G75-Y79 PolarHBondContact O-N 3.41Å; V76-Y79 PolarHBondContact O-N 3.09Å; G77-Y79 VanDerWaalsContact C-N 3.34Å; G77-Y79 PolarHBondContact O-N 2.99Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 2.76Å; Y79-S82 PolarHBondContact O-N 3.2Å; Y79-S82 PolarHBondContact O-OG 3.37Å; Y79-E83 HydrophobicContact CD2-CG 4.4Å; Y79-E83 HydrophobicContact CE1-CG 3.89Å; Y79-E83 HydrophobicContact CE2-CG 3.71Å; Y79-E83 VanDerWaalsContact CZ-CG 3.4Å; Y79-E83 PolarHBondContact O-N 3.38Å; Y79-E83 VanDerWaalsContact OH-CD 3.3Å; Y79-E83 WeakPolarHBondContact OH-CG 3.23Å; Y79-E83 PolarHBondContact OH-OE1 3.5Å; Y79-L108 HydrophobicContact CD1-CB 3.73Å; Y79-L108 HydrophobicContact CD1-CD2 4.44Å; Y79-L108 HydrophobicContact CD2-CB 4.06Å; Y79-L108 HydrophobicContact CD2-CD1 4.09Å; Y79-L108 HydrophobicContact CE1-CB 3.95Å; Y79-L108 HydrophobicContact CE2-CB 4.3Å; Y79-L108 HydrophobicContact CG-CB 3.78Å; Y79-L108 HydrophobicContact CG-CD1 4.17Å; Y79-L108 HydrophobicContact CG-CD2 4.13Å; Y79-L108 HydrophobicContact CG-CG 4.24Å
80Q76.6Confident74.8Confident35 Ų3574.2 Ų74.216%0.16442%0.42CS..Hα-helixtrans-62.2-40.7173.6-59-60.3-13.900110.6V76 G77 S82 Q84 V109V76-Q80 WeakPolarHBondContact O-CG 3.32Å; V76-Q80 PolarHBondContact O-N 2.98Å; G77-Q80 PolarHBondContact O-N 3.44Å; Q80-S82 PolarHBondContact O-N 2.88Å; Q80-Q84 WeakPolarHBondContact O-CB 3.39Å; Q80-Q84 PolarHBondContact O-N 2.93Å; Q80-V109 PolarHBondContact NE2-O 2.85Å
81I78.7Confident73Confident114 Ų11482 Ų8259%0.58544%0.444SS*.Hα-helixtrans-60.7-44.7176.5-68.4164.9000111.1G77 S78 Y79 V85G77-I81 WeakPolarHBondContact O-CD1 3.49Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.37Å; G77-I81 PolarHBondContact O-N 3.49Å; G77-I81 VanDerWaalsContact O-N 3.12Å; S78-I81 PolarHBondContact O-N 3.29Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 2.76Å; I81-V85 WeakPolarHBondContact O-CB 3.26Å; I81-V85 VanDerWaalsContact O-CG2 3.27Å; I81-V85 WeakPolarHBondContact O-CG2 3.41Å; I81-V85 PolarHBondContact O-N 3.19Å; I81-V85 VanDerWaalsContact O-N 3.11Å
82S75.6Confident71.2Confident56 Ų5684.9 Ų84.939%0.39246%0.456SS..Hα-helixtrans-68.3-44.618060.10000113.1S78 Y79 Q80 Q84 V85 V86S78-S82 PolarHBondContact O-N 3.48Å; S78-S82 PolarHBondContact O-OG 2.88Å; Y79-S82 PolarHBondContact O-N 3.2Å; Y79-S82 PolarHBondContact O-OG 3.37Å; Q80-S82 PolarHBondContact O-N 2.88Å; S82-Q84 VanDerWaalsContact C-N 3.32Å; S82-Q84 PolarHBondContact O-N 2.91Å; S82-V85 PolarHBondContact O-N 3.22Å; S82-V86 WeakPolarHBondContact O-CB 3.49Å; S82-V86 VanDerWaalsContact O-CG2 3.31Å; S82-V86 WeakPolarHBondContact O-CG2 3.34Å; S82-V86 PolarHBondContact O-N 3.08Å
83E69.6Low69.8Low32 Ų3288.1 Ų88.115%0.1547%0.467CS..Hα-helixtrans-58.7-43.3174.7-80.8-73.5156.200112.3Y79 V85 V86 H87 R110Y79-E83 HydrophobicContact CD2-CG 4.4Å; Y79-E83 HydrophobicContact CE1-CG 3.89Å; Y79-E83 HydrophobicContact CE2-CG 3.71Å; Y79-E83 VanDerWaalsContact CZ-CG 3.4Å; Y79-E83 PolarHBondContact O-N 3.38Å; Y79-E83 VanDerWaalsContact OH-CD 3.3Å; Y79-E83 WeakPolarHBondContact OH-CG 3.23Å; Y79-E83 PolarHBondContact OH-OE1 3.5Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 3.47Å; E83-V86 PolarHBondContact O-N 3.37Å; E83-H87 PolarHBondContact O-N 3.47Å; E83-R110 WeakPolarHBondContact OE2-CD 3.49Å; E83-R110 IonicContact OE2-CZ 3.92Å; E83-R110 IonicContact OE2-NE 3.89Å; E83-R110 IonicContact OE2-NH1 3.87Å; E83-R110 PolarHBondContact OE2-NH1 3.38Å
84Q67.9Low68.6Low151 Ų15188.7 Ų88.771%0.70647%0.466SS*.Hα-helixtrans-75.4-17.1-176.1-163.2163.511.600113.2Q80 S82Q80-Q84 WeakPolarHBondContact O-CB 3.39Å; Q80-Q84 PolarHBondContact O-N 2.93Å; S82-Q84 VanDerWaalsContact C-N 3.32Å; S82-Q84 PolarHBondContact O-N 2.91Å
85V70.4Confident67.5Low116 Ų11686.4 Ų86.470%0.70346%0.458SS*.Hα-helixtrans-86.4-40.9168.7168.80000112I81 S82 E83I81-V85 WeakPolarHBondContact O-CB 3.26Å; I81-V85 VanDerWaalsContact O-CG2 3.27Å; I81-V85 WeakPolarHBondContact O-CG2 3.41Å; I81-V85 PolarHBondContact O-N 3.19Å; I81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 3.22Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 3.47Å
86V67.3Low66.4Low97 Ų9792.4 Ų92.459%0.58848%0.484SS*.Hα-helixtrans-94.6-36.5-166.1179.70000114.4S82 E83S82-V86 WeakPolarHBondContact O-CB 3.49Å; S82-V86 VanDerWaalsContact O-CG2 3.31Å; S82-V86 WeakPolarHBondContact O-CG2 3.34Å; S82-V86 PolarHBondContact O-N 3.08Å; E83-V86 PolarHBondContact O-N 3.37Å
87H58.7Low65.7Low62 Ų6297.6 Ų97.629%0.28750%0.503SS..  trans-12879.4-168.1-72.2-41.7000113.3E83 Y93 R110E83-H87 PolarHBondContact O-N 3.47Å; H87-Y93 AromaticContact CD2-CE1 3.75Å; H87-Y93 AromaticContact CE1-CE1 3.86Å; H87-Y93 AromaticContact CE1-CZ 3.77Å; H87-Y93 AromaticContact NE2-CE1 3.46Å; H87-Y93 WeakPolarHBondContact NE2-CE1 3.41Å; H87-Y93 AromaticContact NE2-CZ 3.67Å; H87-Y93 PolarHBondContact NE2-OH 3.32Å; H87-R110 VanDerWaalsContact O-CZ 3.31Å; H87-R110 PolarHBondContact O-NH1 3.43Å; H87-R110 PolarHBondContact O-NH2 3.44Å
88K56.4Low65Low181 Ų181100 Ų10079%0.78751%0.514SS*.  trans-80.5-30.2-167.1-138.4173.3-173.1176.90116.7
89N52.7Low64.3Low148 Ų14899.6 Ų99.679%0.79151%0.507SS*.SBendtrans-126.4-26.4-164.9-92.46.2000118.6R91N89-R91 PolarHBondContact O-N 3.35Å
90D52.7Low63.5Low107 Ų10799.5 Ų99.557%0.57251%0.509SS*.  trans-83.4113.5-167.6-70.8-50.3000114.9
91R50.5Low63Low236 Ų236101.1 Ų101.189%0.89152%0.521SS*.SBendtrans-73.3-28.3175.5-68.9-178.7176.1169.7-1.3113.8N89N89-R91 PolarHBondContact O-N 3.35Å
92T51.3Low62.7Low119 Ų119100.1 Ų100.173%0.7352%0.516SS*.SBendtrans-86.1-16.3-175.144.70000113.9I94T92-I94 VanDerWaalsContact C-N 3.29Å; T92-I94 PolarHBondContact O-N 2.85Å
93Y57.4Low62.7Low78 Ų78101.5 Ų101.531%0.30652%0.516SS..THydrogen-bonded Turntrans-65.5-27.3-174.5-171.3-103.3000114H87 R97H87-Y93 AromaticContact CD2-CE1 3.75Å; H87-Y93 AromaticContact CE1-CE1 3.86Å; H87-Y93 AromaticContact CE1-CZ 3.77Å; H87-Y93 AromaticContact NE2-CE1 3.46Å; H87-Y93 WeakPolarHBondContact NE2-CE1 3.41Å; H87-Y93 AromaticContact NE2-CZ 3.67Å; H87-Y93 PolarHBondContact NE2-OH 3.32Å; Y93-R97 PolarHBondContact OH-NH1 3.47Å; Y93-R97 VanDerWaalsContact OH-NH1 3.13Å
94I59.3Low62.8Low45 Ų45103.2 Ų103.223%0.23152%0.521CS..THydrogen-bonded Turntrans-78.7-27.2-163.8-61.3174.4000113.8T92 T100 W288T92-I94 VanDerWaalsContact C-N 3.29Å; T92-I94 PolarHBondContact O-N 2.85Å; I94-T100 PolarHBondContact O-OG1 3.48Å; I94-W288 HydrophobicContact CD1-CZ2 4.33Å; I94-W288 HydrophobicContact CG2-CZ2 4.47Å
95C63.3Low63.1Low67 Ų6796.2 Ų96.245%0.45349%0.488SS..SBendtrans-98.2-8.4-173.9-65.70000114.6C285C95-C285 HydrophobicContact CB-CB 3.83Å; C95-C285 WeakPolarHBondContact CB-SG 3.48Å; C95-C285 WeakPolarHBondContact SG-CB 3.02Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.45Å
96N60.6Low63.6Low155 Ų15593.4 Ų93.483%0.82947%0.469SS*.SBendtrans-111.311.3-166.5-156.825000114.7
97R65Low63.8Low118 Ų11888.8 Ų88.845%0.44544%0.441SS..  trans-134119.8-172.2-173.9172.1177.6147.59.7112Y93 D99 T100Y93-R97 PolarHBondContact OH-NH1 3.47Å; Y93-R97 VanDerWaalsContact OH-NH1 3.13Å; R97-D99 HydrophobicContact CG-CB 4.31Å; R97-D99 IonicContact CZ-OD2 3.22Å; R97-D99 VanDerWaalsContact CZ-OD2 3.22Å; R97-D99 IonicContact NE-OD2 2.73Å; R97-D99 PolarHBondContact NE-OD2 2.99Å; R97-D99 IonicContact NH2-OD2 2.82Å; R97-D99 PolarHBondContact NH2-OD2 3.4Å; R97-D99 PolarHBondContact O-N 2.89Å; R97-D99 VanDerWaalsContact O-N 3.09Å; R97-T100 HydrophobicContact CB-CG2 4.23Å; R97-T100 PolarHBondContact O-N 3.16Å; R97-T100 PolarHBondContact O-OG1 2.95Å
98S65.9Low64.6Low83 Ų8387.3 Ų87.358%0.5844%0.435SS*.Hα-helixtrans-40-49.2178.441.90000113.5T100 T101 L102S98-T100 VanDerWaalsContact C-N 3.26Å; S98-T100 PolarHBondContact O-N 2.82Å; S98-T101 PolarHBondContact O-N 3.34Å; S98-T101 PolarHBondContact O-OG1 2.92Å; S98-L102 PolarHBondContact O-N 3.21Å; S98-L102 VanDerWaalsContact O-N 3.09Å
99D67.8Low65.4Low63 Ų6380.1 Ų80.134%0.33741%0.406SS..Hα-helixtrans-59-39.3-172.3-42.3-12.2000111R97 L102 F103R97-D99 HydrophobicContact CG-CB 4.31Å; R97-D99 IonicContact CZ-OD2 3.22Å; R97-D99 VanDerWaalsContact CZ-OD2 3.22Å; R97-D99 IonicContact NE-OD2 2.73Å; R97-D99 PolarHBondContact NE-OD2 2.99Å; R97-D99 IonicContact NH2-OD2 2.82Å; R97-D99 PolarHBondContact NH2-OD2 3.4Å; R97-D99 PolarHBondContact O-N 2.89Å; R97-D99 VanDerWaalsContact O-N 3.09Å; D99-L102 PolarHBondContact O-N 2.86Å; D99-F103 HydrophobicContact CB-CE2 4.38Å; D99-F103 WeakPolarHBondContact O-CD2 3.5Å; D99-F103 PolarHBondContact O-N 2.99Å
100T66.3Low66.2Low27 Ų2776 Ų7617%0.16638%0.38CS..Hα-helixtrans-68-37.117867.90000112I94 R97 S98 L102 F103 R104I94-T100 PolarHBondContact O-OG1 3.48Å; R97-T100 HydrophobicContact CB-CG2 4.23Å; R97-T100 PolarHBondContact O-N 3.16Å; R97-T100 PolarHBondContact O-OG1 2.95Å; S98-T100 VanDerWaalsContact C-N 3.26Å; S98-T100 PolarHBondContact O-N 2.82Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.13Å; T100-F103 PolarHBondContact O-N 2.94Å; T100-R104 WeakPolarHBondContact O-CB 3.36Å; T100-R104 PolarHBondContact O-N 3.42Å
101T65.7Low67.1Low68 Ų6875.7 Ų75.742%0.41737%0.373SS..Hα-helixtrans-68.6-31.7176.174.70000111.8S98 S105S98-T101 PolarHBondContact O-N 3.34Å; S98-T101 PolarHBondContact O-OG1 2.92Å; T101-S105 WeakPolarHBondContact O-CB 3.23Å; T101-S105 PolarHBondContact O-N 3.04Å; T101-S105 PolarHBondContact O-OG 3.35Å
102L71.8Confident67.7Low93 Ų9366.6 Ų66.649%0.48734%0.341SS..Hα-helixtrans-73.7-45.2176.5-169.1142.9000111.1S98 D99 T100 R104 S105 I106S98-L102 PolarHBondContact O-N 3.21Å; S98-L102 VanDerWaalsContact O-N 3.09Å; D99-L102 PolarHBondContact O-N 2.86Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 3.13Å; L102-R104 PolarHBondContact O-N 3.15Å; L102-S105 PolarHBondContact O-N 3.04Å; L102-S105 PolarHBondContact O-OG 3.09Å; L102-S105 VanDerWaalsContact O-OG 3.13Å; L102-I106 HydrophobicContact CD2-CD1 3.61Å; L102-I106 HydrophobicContact CD2-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CG1 3.3Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.44Å
103F75.8Confident68.1Low86 Ų8665.9 Ų65.938%0.37734%0.338SS..Hα-helixtrans-61.8-42.5171.5-69.3-53.6000112.4D99 T100 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CE2 4.38Å; D99-F103 WeakPolarHBondContact O-CD2 3.5Å; D99-F103 PolarHBondContact O-N 2.99Å; T100-F103 PolarHBondContact O-N 2.94Å; F103-S105 VanDerWaalsContact C-N 3.33Å; F103-S105 PolarHBondContact O-N 3.07Å; F103-I106 HydrophobicContact CD1-CD1 4.49Å; F103-I106 PolarHBondContact O-N 3.06Å; F103-G107 PolarHBondContact O-N 2.63Å; F103-G107 VanDerWaalsContact O-N 3.07Å; F103-L108 CarbonylContact C-O 3.37Å; F103-L108 HydrophobicContact CB-CB 4.25Å; F103-L108 HydrophobicContact CD1-CD1 4.09Å; F103-L108 PolarHBondContact O-N 3.05Å
104R71.9Confident68.2Low67 Ų6767.2 Ų67.225%0.25335%0.354SS..Hα-helixtrans-60.2-39.8177.6-168.8176.683150.316.6112.6T100 L102 L108 V109 S283 W288T100-R104 WeakPolarHBondContact O-CB 3.36Å; T100-R104 PolarHBondContact O-N 3.42Å; L102-R104 PolarHBondContact O-N 3.15Å; R104-L108 WeakPolarHBondContact CA-O 3.4Å; R104-L108 PolarHBondContact N-O 3.4Å; R104-V109 HydrophobicContact CG-CG2 4.32Å; R104-S283 PolarHBondContact NH1-O 3.2Å; R104-S283 PolarHBondContact NH2-O 2.79Å; R104-W288 VanDerWaalsContact NH1-CB 3.34Å
105S75Confident67.9Low4 Ų466.6 Ų66.63%0.02836%0.36CS..Hα-helixtrans-80.3-29.617851.10000113.6S29 F30 T101 L102 F103 G107S29-S105 WeakPolarHBondContact CA-O 3.37Å; F30-S105 VanDerWaalsContact CD2-O 3.28Å; F30-S105 WeakPolarHBondContact CD2-O 3.37Å; F30-S105 PolarHBondContact N-O 2.88Å; T101-S105 WeakPolarHBondContact O-CB 3.23Å; T101-S105 PolarHBondContact O-N 3.04Å; T101-S105 PolarHBondContact O-OG 3.35Å; L102-S105 PolarHBondContact O-N 3.04Å; L102-S105 PolarHBondContact O-OG 3.09Å; L102-S105 VanDerWaalsContact O-OG 3.13Å; F103-S105 VanDerWaalsContact C-N 3.33Å; F103-S105 PolarHBondContact O-N 3.07Å; S105-G107 VanDerWaalsContact C-N 3.28Å; S105-G107 PolarHBondContact O-N 3.36Å
106I80.2Confident67.5Low57 Ų5769 Ų6929%0.29237%0.372SS..Hα-helixtrans-56.9-44.2166.7-76.1170.6000110.8F30 L31 L102 F103 L108F30-I106 PolarHBondContact N-O 3.08Å; L31-I106 WeakPolarHBondContact CB-O 3.5Å; L31-I106 HydrophobicContact CD1-CG2 4.07Å; L31-I106 HydrophobicContact CG-CG2 4.29Å; L31-I106 VanDerWaalsContact CG-O 3.3Å; L31-I106 WeakPolarHBondContact CG-O 3.44Å; L31-I106 PolarHBondContact N-O 3.29Å; L102-I106 HydrophobicContact CD2-CD1 3.61Å; L102-I106 HydrophobicContact CD2-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CG1 3.3Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 3.44Å; F103-I106 HydrophobicContact CD1-CD1 4.49Å; F103-I106 PolarHBondContact O-N 3.06Å; I106-L108 HydrophobicContact CG2-CG 4.38Å
107G71.7Confident67.4Low0 Ų069.2 Ų69.20%037%0.366CS..THydrogen-bonded Turntrans11635.3-171.400000112.9R27 F103 S105R27-G107 PolarHBondContact NH1-O 2.96Å; R27-G107 VanDerWaalsContact NH2-C 3.26Å; R27-G107 PolarHBondContact NH2-O 3.26Å; F103-G107 PolarHBondContact O-N 2.63Å; F103-G107 VanDerWaalsContact O-N 3.07Å; S105-G107 VanDerWaalsContact C-N 3.28Å; S105-G107 PolarHBondContact O-N 3.36Å
108L76.2Confident67Low32 Ų3267.1 Ų67.117%0.16836%0.361CS..  trans-116.1112.2166.9-63.9-178.6000106.9V76 Y79 F103 R104 I106V76-L108 HydrophobicContact CG2-CD2 4.4Å; Y79-L108 HydrophobicContact CD1-CB 3.73Å; Y79-L108 HydrophobicContact CD1-CD2 4.44Å; Y79-L108 HydrophobicContact CD2-CB 4.06Å; Y79-L108 HydrophobicContact CD2-CD1 4.09Å; Y79-L108 HydrophobicContact CE1-CB 3.95Å; Y79-L108 HydrophobicContact CE2-CB 4.3Å; Y79-L108 HydrophobicContact CG-CB 3.78Å; Y79-L108 HydrophobicContact CG-CD1 4.17Å; Y79-L108 HydrophobicContact CG-CD2 4.13Å; Y79-L108 HydrophobicContact CG-CG 4.24Å; F103-L108 CarbonylContact C-O 3.37Å; F103-L108 HydrophobicContact CB-CB 4.25Å; F103-L108 HydrophobicContact CD1-CD1 4.09Å; F103-L108 PolarHBondContact O-N 3.05Å; R104-L108 WeakPolarHBondContact CA-O 3.4Å; R104-L108 PolarHBondContact N-O 3.4Å; I106-L108 HydrophobicContact CG2-CG 4.38Å
109V71.9Confident66.7Low29 Ų2963.5 Ų63.518%0.17634%0.336CS..  trans-137.1120.2-167.7-179.70000108.9Q80 R104 W288Q80-V109 PolarHBondContact NE2-O 2.85Å; R104-V109 HydrophobicContact CG-CG2 4.32Å; V109-W288 HydrophobicContact CG1-CE3 4.5Å; V109-W288 HydrophobicContact CG1-CZ3 3.95Å
110R69.8Low66.5Low63 Ų6361.6 Ų61.624%0.23833%0.327CS..PPolyproline II helixtrans-64.6138-176.1-179.3177.1171.8136.5-4.4112.1E83 H87E83-R110 WeakPolarHBondContact OE2-CD 3.49Å; E83-R110 IonicContact OE2-CZ 3.92Å; E83-R110 IonicContact OE2-NE 3.89Å; E83-R110 IonicContact OE2-NH1 3.87Å; E83-R110 PolarHBondContact OE2-NH1 3.38Å; H87-R110 VanDerWaalsContact O-CZ 3.31Å; H87-R110 PolarHBondContact O-NH1 3.43Å; H87-R110 PolarHBondContact O-NH2 3.44Å
111F71Confident66.5Low100 Ų10062.2 Ų62.244%0.43933%0.326SS..PPolyproline II helixtrans-64.7130.4172.3173.6-98.9000111.8F123F111-F123 HydrophobicContact CD2-CD1 4.33Å; F111-F123 AromaticContact CD2-CE1 3.92Å; F111-F123 HydrophobicContact CD2-CE1 3.92Å; F111-F123 AromaticContact CE2-CE1 3.89Å; F111-F123 HydrophobicContact CE2-CE1 3.89Å
112H64.9Low66.7Low44 Ų4459.2 Ų59.220%0.20431%0.308CS..PPolyproline II helixtrans-100.4124.8-179.9-163.9-100.8000111.4T114 S119 W288 W289H112-T114 VanDerWaalsContact C-N 3.32Å; H112-T114 PolarHBondContact CE1-OG1 2.98Å; H112-T114 PolarHBondContact ND1-OG1 3.25Å; H112-T114 PolarHBondContact O-N 2.75Å; H112-S119 VanDerWaalsContact O-CB 3.27Å; H112-S119 WeakPolarHBondContact O-CB 3.15Å; H112-S119 PolarHBondContact O-OG 3.37Å; H112-W288 HydrophobicContact CB-CH2 4.33Å; H112-W288 AromaticContact CD2-CZ2 3.99Å; H112-W289 HydrophobicContact CB-CB 4.43Å
113P59.1Low67Low104 Ų10458.7 Ų58.768%0.67530%0.302SS*.THydrogen-bonded Turntrans-802.7-163.529.8-35.3000116.5
114T59.1Low67Low106 Ų10657 Ų5765%0.6530%0.297SS*.THydrogen-bonded Turntrans-121.915.7-166.269.40000116.4H112H112-T114 VanDerWaalsContact C-N 3.32Å; H112-T114 PolarHBondContact CE1-OG1 2.98Å; H112-T114 PolarHBondContact ND1-OG1 3.25Å; H112-T114 PolarHBondContact O-N 2.75Å
115G53.9Low67.4Low33 Ų3353.9 Ų53.934%0.3429%0.285SS..  trans-145.4122.1-178.500000113.3S119G115-S119 WeakPolarHBondContact O-CB 3.4Å; G115-S119 PolarHBondContact O-OG 3.45Å; G115-S119 VanDerWaalsContact O-OG 3.14Å
116T53.6Low67.8Low117 Ų11754.2 Ų54.272%0.71829%0.286SS*.THydrogen-bonded Turntrans-77.3-22.8-169.445.40000115T120T116-T120 WeakPolarHBondContact O-CG2 3.43Å
117F58.3Low68.1Low160 Ų16055.9 Ų55.970%0.70230%0.295SS*.THydrogen-bonded Turntrans-114-44.7175.3-156.1-100.5000113.6S119 T120F117-S119 PolarHBondContact O-N 3.44Å; F117-T120 VanDerWaalsContact O-CB 3.27Å; F117-T120 WeakPolarHBondContact O-CB 3.33Å; F117-T120 VanDerWaalsContact O-CG2 3.27Å; F117-T120 WeakPolarHBondContact O-CG2 3.39Å; F117-T120 PolarHBondContact O-N 3.23Å; F117-T120 VanDerWaalsContact O-N 3.09Å; F117-T120 PolarHBondContact O-OG1 3.03Å
118E57.9Low68.8Low73 Ų7358 Ų5834%0.34131%0.306SS..G310 helixtrans-65.3-39.2-177.7-64.1-162.8118.300113.1T120 R121 K290 F291E118-T120 PolarHBondContact O-N 2.76Å; E118-R121 WeakPolarHBondContact O-CB 3.5Å; E118-R121 PolarHBondContact O-N 3.44Å; E118-R121 VanDerWaalsContact O-N 3.08Å; E118-K290 VanDerWaalsContact OE1-CA 3.22Å; E118-K290 WeakPolarHBondContact OE1-CA 3.37Å; E118-K290 VanDerWaalsContact OE2-CG 3.22Å; E118-K290 WeakPolarHBondContact OE2-CG 3.24Å; E118-F291 PolarHBondContact OE1-N 3.38Å
119S58.6Low69.3Low8 Ų856.6 Ų56.66%0.05630%0.298CS..G310 helixtrans-64.3-12.9175.3-58.20000113.9H112 G115 F117 R121 A122H112-S119 VanDerWaalsContact O-CB 3.27Å; H112-S119 WeakPolarHBondContact O-CB 3.15Å; H112-S119 PolarHBondContact O-OG 3.37Å; G115-S119 WeakPolarHBondContact O-CB 3.4Å; G115-S119 PolarHBondContact O-OG 3.45Å; G115-S119 VanDerWaalsContact O-OG 3.14Å; F117-S119 PolarHBondContact O-N 3.44Å; S119-R121 PolarHBondContact O-N 3.2Å; S119-A122 PolarHBondContact O-N 3.08Å
120T64.3Low70.1Confident23 Ų2357 Ų5714%0.14130%0.301CS..G310 helixtrans-67.8-22174.474.60000112.3T116 F117 E118 A122 F123 L124T116-T120 WeakPolarHBondContact O-CG2 3.43Å; F117-T120 VanDerWaalsContact O-CB 3.27Å; F117-T120 WeakPolarHBondContact O-CB 3.33Å; F117-T120 VanDerWaalsContact O-CG2 3.27Å; F117-T120 WeakPolarHBondContact O-CG2 3.39Å; F117-T120 PolarHBondContact O-N 3.23Å; F117-T120 VanDerWaalsContact O-N 3.09Å; F117-T120 PolarHBondContact O-OG1 3.03Å; E118-T120 PolarHBondContact O-N 2.76Å; T120-A122 PolarHBondContact O-N 2.99Å; T120-F123 HydrophobicContact CG2-CE2 4.24Å; T120-F123 HydrophobicContact CG2-CZ 3.84Å; T120-F123 PolarHBondContact O-N 3.21Å; T120-L124 WeakPolarHBondContact O-CB 3.45Å; T120-L124 PolarHBondContact O-N 2.95Å
121R67Low71Confident39 Ų3957 Ų5715%0.14731%0.311CS..G310 helixtrans-47.9-29.4174-176.8-178.4178.6-177.2-5.5113.8I26 E118 S119 K290I26-R121 HydrophobicContact CG2-CG 4.44Å; E118-R121 WeakPolarHBondContact O-CB 3.5Å; E118-R121 PolarHBondContact O-N 3.44Å; E118-R121 VanDerWaalsContact O-N 3.08Å; S119-R121 PolarHBondContact O-N 3.2Å; R121-K290 PolarHBondContact NH1-O 3.44Å
122A68.4Low71.8Confident5 Ų552.8 Ų52.84%0.04129%0.294CS..G310 helixtrans-74.4-20.1179.800000114.8S119 T120S119-A122 PolarHBondContact O-N 3.08Å; T120-A122 PolarHBondContact O-N 2.99Å
123F77.5Confident72.9Confident82 Ų8250.7 Ų50.736%0.3629%0.285SS..THydrogen-bonded Turntrans-138.9-22.9-173.457.7-98.1000115.4F111 T120 P125 E126 I127F111-F123 HydrophobicContact CD2-CD1 4.33Å; F111-F123 AromaticContact CD2-CE1 3.92Å; F111-F123 HydrophobicContact CD2-CE1 3.92Å; F111-F123 AromaticContact CE2-CE1 3.89Å; F111-F123 HydrophobicContact CE2-CE1 3.89Å; T120-F123 HydrophobicContact CG2-CE2 4.24Å; T120-F123 HydrophobicContact CG2-CZ 3.84Å; T120-F123 PolarHBondContact O-N 3.21Å; F123-P125 VanDerWaalsContact C-CD 3.43Å; F123-E126 WeakPolarHBondContact O-CB 3.42Å; F123-E126 PolarHBondContact O-N 3.18Å; F123-E126 VanDerWaalsContact O-N 3.14Å; F123-I127 HydrophobicContact CD2-CD1 3.85Å; F123-I127 HydrophobicContact CE2-CD1 4.44Å; F123-I127 PolarHBondContact O-N 3.39Å
124L77.7Confident74.3Confident52 Ų5249.8 Ų49.827%0.27227%0.274SS..Hα-helixtrans-54.6-40.3177.6-176.867000113.7I26 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.21Å; I26-L124 HydrophobicContact CD1-CG 4.47Å; T120-L124 WeakPolarHBondContact O-CB 3.45Å; T120-L124 PolarHBondContact O-N 2.95Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 2.91Å; L124-I127 PolarHBondContact O-N 2.82Å; L124-I128 HydrophobicContact CD1-CD1 4.17Å; L124-I128 HydrophobicContact CD1-CG1 4.45Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 WeakPolarHBondContact O-CG1 3.33Å; L124-I128 PolarHBondContact O-N 3Å
125P78.9Confident75.6Confident0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-58.1-43174.7-27.237.5000113.3A23 I26 R27 F123 I127 I128 A129A23-P125 HydrophobicContact CB-CB 4Å; I26-P125 HydrophobicContact CB-CG 4.03Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; R27-P125 HydrophobicContact CB-CG 3.81Å; F123-P125 VanDerWaalsContact C-CD 3.43Å; P125-I127 VanDerWaalsContact C-N 3.35Å; P125-I127 PolarHBondContact O-N 2.72Å; P125-I128 PolarHBondContact O-N 3.42Å; P125-A129 WeakPolarHBondContact O-CB 3.46Å; P125-A129 PolarHBondContact O-N 3.13Å
126E84.5Confident77.1Confident11 Ų1147 Ų475%0.05125%0.246CC..Hα-helixtrans-65.8-40.5-177.8-47.6-53.7149.400110.6R27 Y35 V72 A73 V76 F123 L124 T130R27-E126 IonicContact NH1-OE1 3.26Å; R27-E126 PolarHBondContact NH1-OE1 2.59Å; Y35-E126 PolarHBondContact OH-OE1 3.41Å; Y35-E126 PolarHBondContact OH-OE2 2.85Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.37Å; A73-E126 HydrophobicContact CB-CB 4.3Å; V76-E126 HydrophobicContact CG2-CG 4.36Å; F123-E126 WeakPolarHBondContact O-CB 3.42Å; F123-E126 PolarHBondContact O-N 3.18Å; F123-E126 VanDerWaalsContact O-N 3.14Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 2.91Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.15Å; E126-T130 VanDerWaalsContact O-CG2 3.29Å; E126-T130 WeakPolarHBondContact O-CG2 3.48Å; E126-T130 PolarHBondContact O-N 3.47Å; E126-T130 PolarHBondContact O-OG1 3.17Å
127I85.5Confident78.6Confident93 Ų9342.3 Ų42.348%0.47722%0.217SC..Hα-helixtrans-63.8-45.9176-62.9174.2000110.8F123 L124 P125 T130 S131F123-I127 HydrophobicContact CD2-CD1 3.85Å; F123-I127 HydrophobicContact CE2-CD1 4.44Å; F123-I127 PolarHBondContact O-N 3.39Å; L124-I127 PolarHBondContact O-N 2.82Å; P125-I127 VanDerWaalsContact C-N 3.35Å; P125-I127 PolarHBondContact O-N 2.72Å; I127-T130 PolarHBondContact O-OG1 3.44Å; I127-S131 WeakPolarHBondContact O-CB 3.06Å; I127-S131 PolarHBondContact O-N 2.99Å; I127-S131 PolarHBondContact O-OG 3.48Å
128I87.6Confident79.9Confident45 Ų4538.2 Ų38.223%0.23120%0.201CC..Hα-helixtrans-63.6-47179-68.3167.9000110.6A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 4Å; A19-I128 WeakPolarHBondContact O-CG2 3.31Å; I26-I128 HydrophobicContact CD1-CD1 3.73Å; L124-I128 HydrophobicContact CD1-CD1 4.17Å; L124-I128 HydrophobicContact CD1-CG1 4.45Å; L124-I128 HydrophobicContact CG-CD1 3.9Å; L124-I128 WeakPolarHBondContact O-CG1 3.33Å; L124-I128 PolarHBondContact O-N 3Å; P125-I128 PolarHBondContact O-N 3.42Å; I128-S131 PolarHBondContact O-OG 3.12Å; I128-A132 WeakPolarHBondContact O-CB 3.38Å; I128-A132 PolarHBondContact O-N 3.21Å
129A86.7Confident81Confident1 Ų135.9 Ų35.91%0.00819%0.191CC..Hα-helixtrans-67.9-48.4-177.900000112.4A23 Y35 C69 P125 A133A23-A129 HydrophobicContact CB-CB 4.2Å; Y35-A129 HydrophobicContact CE1-CB 4.15Å; C69-A129 HydrophobicContact CB-CB 4.36Å; P125-A129 WeakPolarHBondContact O-CB 3.46Å; P125-A129 PolarHBondContact O-N 3.13Å; A129-A133 VanDerWaalsContact O-CB 3.3Å; A129-A133 WeakPolarHBondContact O-CB 3.1Å; A129-A133 PolarHBondContact O-N 2.99Å
130T88.2Confident81.9Confident38 Ų3835.7 Ų35.723%0.23319%0.19CC..Hα-helixtrans-67.3-41.1-179.455.20000112.7C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.87Å; A73-T130 HydrophobicContact CB-CG2 4.06Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.15Å; E126-T130 VanDerWaalsContact O-CG2 3.29Å; E126-T130 WeakPolarHBondContact O-CG2 3.48Å; E126-T130 PolarHBondContact O-N 3.47Å; E126-T130 PolarHBondContact O-OG1 3.17Å; I127-T130 PolarHBondContact O-OG1 3.44Å; T130-A133 PolarHBondContact O-N 3.37Å; T130-L134 WeakPolarHBondContact O-CB 3.48Å; T130-L134 PolarHBondContact O-N 3.45Å
131S87.7Confident82.6Confident64 Ų6438.7 Ų38.745%0.44820%0.203SC..Hα-helixtrans-66.6-40.7178.462.10000112.4I127 I128 L134 L135I127-S131 WeakPolarHBondContact O-CB 3.06Å; I127-S131 PolarHBondContact O-N 2.99Å; I127-S131 PolarHBondContact O-OG 3.48Å; I128-S131 PolarHBondContact O-OG 3.12Å; S131-L134 PolarHBondContact O-N 3.15Å; S131-L135 WeakPolarHBondContact O-CB 3.44Å; S131-L135 PolarHBondContact O-N 3.01Å
132A87.7Confident82.8Confident10 Ų1044.4 Ų44.48%0.08323%0.229CC..Hα-helixtrans-67.1-39.7174.100000112.4L16 A19 I128 T136L16-A132 HydrophobicContact CD1-CB 4.39Å; A19-A132 HydrophobicContact CB-CB 3.42Å; A19-A132 VanDerWaalsContact CB-CB 3.42Å; I128-A132 WeakPolarHBondContact O-CB 3.38Å; I128-A132 PolarHBondContact O-N 3.21Å; A132-T136 WeakPolarHBondContact O-CB 3.39Å; A132-T136 WeakPolarHBondContact O-CG2 3.29Å; A132-T136 PolarHBondContact O-N 3.12Å; A132-T136 PolarHBondContact O-OG1 3.02Å
133A87.6Confident82.8Confident0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-63.7-41.2174.400000112.1F66 A129 T130 T136 I137F66-A133 HydrophobicContact CB-CB 4.13Å; F66-A133 HydrophobicContact CD2-CB 4.11Å; A129-A133 VanDerWaalsContact O-CB 3.3Å; A129-A133 WeakPolarHBondContact O-CB 3.1Å; A129-A133 PolarHBondContact O-N 2.99Å; T130-A133 PolarHBondContact O-N 3.37Å; A133-T136 WeakPolarHBondContact CA-OG1 3.34Å; A133-T136 PolarHBondContact O-OG1 3.43Å; A133-I137 PolarHBondContact O-N 3.31Å
134L88.7Confident81.7Confident86 Ų8646.4 Ų46.445%0.4525%0.25SC..Hα-helixtrans-65.7-47.5175.7-176.765.8000111.9F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.33Å; T130-L134 WeakPolarHBondContact O-CB 3.48Å; T130-L134 PolarHBondContact O-N 3.45Å; S131-L134 PolarHBondContact O-N 3.15Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 3.04Å; L134-I137 WeakPolarHBondContact O-CB 3.47Å; L134-I137 PolarHBondContact O-N 3.42Å; L134-I138 HydrophobicContact CD1-CD1 4.39Å; L134-I138 HydrophobicContact CG-CD1 4.06Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 3.49Å
135L87Confident80.6Confident78 Ų7847.1 Ų47.141%0.40825%0.252SS..Hα-helixtrans-60.2-41.2177.8-169.682.3000111.6L15 S131 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.7Å; S131-L135 WeakPolarHBondContact O-CB 3.44Å; S131-L135 PolarHBondContact O-N 3.01Å; L135-I138 PolarHBondContact O-N 3.33Å; L135-I139 HydrophobicContact CD1-CD1 4.41Å; L135-I139 HydrophobicContact CD2-CD1 4.23Å; L135-I139 HydrophobicContact CG-CD1 3.91Å; L135-I139 WeakPolarHBondContact O-CB 3.35Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3.11Å
136T85.2Confident78.9Confident1 Ų155.4 Ų55.41%0.00628%0.283CS..Hα-helixtrans-70.1-36.3178.156.50000112.2V11 L16 A132 A133 L134 V140V11-T136 HydrophobicContact CG1-CG2 3.36Å; L16-T136 HydrophobicContact CB-CG2 3.87Å; L16-T136 HydrophobicContact CD1-CG2 4.24Å; L16-T136 HydrophobicContact CD2-CG2 4.25Å; L16-T136 HydrophobicContact CG-CG2 4.35Å; A132-T136 WeakPolarHBondContact O-CB 3.39Å; A132-T136 WeakPolarHBondContact O-CG2 3.29Å; A132-T136 PolarHBondContact O-N 3.12Å; A132-T136 PolarHBondContact O-OG1 3.02Å; A133-T136 WeakPolarHBondContact CA-OG1 3.34Å; A133-T136 PolarHBondContact O-OG1 3.43Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 3.04Å; T136-V140 WeakPolarHBondContact O-CB 3.36Å; T136-V140 WeakPolarHBondContact O-CG2 3.48Å; T136-V140 PolarHBondContact O-N 2.72Å
137I85.9Confident76.7Confident20 Ų2061.7 Ų61.710%0.10332%0.317CS..Hα-helixtrans-56.1-51167-82.6179.7000111.2V62 F66 A133 L134 V140 M141 F142V62-I137 HydrophobicContact CG1-CB 4.4Å; V62-I137 HydrophobicContact CG1-CG1 3.49Å; V62-I137 VanDerWaalsContact CG1-CG1 3.49Å; F66-I137 HydrophobicContact CB-CD1 3.43Å; F66-I137 VanDerWaalsContact CB-CD1 3.43Å; F66-I137 HydrophobicContact CB-CG1 4.42Å; F66-I137 HydrophobicContact CD1-CD1 3.78Å; F66-I137 HydrophobicContact CD2-CD1 3.91Å; F66-I137 HydrophobicContact CG-CD1 3.42Å; F66-I137 VanDerWaalsContact CG-CD1 3.42Å; A133-I137 PolarHBondContact O-N 3.31Å; L134-I137 WeakPolarHBondContact O-CB 3.47Å; L134-I137 PolarHBondContact O-N 3.42Å; I137-V140 PolarHBondContact O-N 3.12Å; I137-M141 HydrophobicContact CG1-CE 4.38Å; I137-M141 HydrophobicContact CG2-CE 4.31Å; I137-M141 WeakPolarHBondContact O-CB 3.33Å; I137-M141 PolarHBondContact O-N 3.46Å; I137-F142 HydrophobicContact CG2-CD2 4.29Å; I137-F142 HydrophobicContact CG2-CE2 4.13Å
138I84.9Confident74.5Confident73 Ų7364.2 Ų64.237%0.37433%0.327SS..Iπ-helixtrans-61.4-50.7-176.6-67.3163.8000110.7L134 L135 V140 F142 L143L134-I138 HydrophobicContact CD1-CD1 4.39Å; L134-I138 HydrophobicContact CG-CD1 4.06Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 3.49Å; L135-I138 PolarHBondContact O-N 3.33Å; I138-V140 PolarHBondContact O-N 3.27Å; I138-F142 WeakPolarHBondContact O-CB 3.18Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.12Å; I138-L143 HydrophobicContact CG2-CD1 4.19Å
139I82.2Confident71.7Confident25 Ų2570.3 Ų70.313%0.12835%0.354CS..Iπ-helixtrans-66.9-36-177.6-67.8173.8000112.2V3 K8 V11 L135 L143V3-I139 HydrophobicContact CG1-CG2 4.41Å; K8-I139 WeakPolarHBondContact CE-O 3.37Å; K8-I139 HydrophobicContact CG-CG2 4.2Å; K8-I139 PolarHBondContact NZ-O 2.95Å; V11-I139 HydrophobicContact CB-CG2 4.46Å; V11-I139 HydrophobicContact CG1-CB 4.42Å; V11-I139 HydrophobicContact CG1-CD1 4.26Å; V11-I139 HydrophobicContact CG1-CG2 4.33Å; V11-I139 HydrophobicContact CG2-CD1 4.01Å; V11-I139 HydrophobicContact CG2-CG2 4.31Å; L135-I139 HydrophobicContact CD1-CD1 4.41Å; L135-I139 HydrophobicContact CD2-CD1 4.23Å; L135-I139 HydrophobicContact CG-CD1 3.91Å; L135-I139 WeakPolarHBondContact O-CB 3.35Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3.11Å; I139-L143 HydrophobicContact CG1-CD1 4.46Å
140V77.4Confident69.2Low3 Ų377.3 Ų77.32%0.01839%0.391CS..Iπ-helixtrans-83.1-49-176.9177.10000111.7K8 V12 L54 T136 I137 I138K8-V140 PolarHBondContact NZ-O 3.16Å; V12-V140 HydrophobicContact CG2-CG2 3.6Å; L54-V140 HydrophobicContact CD1-CG1 3.84Å; L54-V140 HydrophobicContact CD2-CG1 3.68Å; L54-V140 HydrophobicContact CG-CG1 4.4Å; T136-V140 WeakPolarHBondContact O-CB 3.36Å; T136-V140 WeakPolarHBondContact O-CG2 3.48Å; T136-V140 PolarHBondContact O-N 2.72Å; I137-V140 PolarHBondContact O-N 3.12Å; I138-V140 PolarHBondContact O-N 3.27Å
141M77.2Confident66.3Low86 Ų8682.3 Ų82.342%0.42442%0.416SS..Iπ-helixtrans-98.1-34-169.1-58.7-149-70.300115.4I63 I137I63-M141 HydrophobicContact CD1-CE 4.17Å; I63-M141 HydrophobicContact CD1-SD 4.37Å; I63-M141 HydrophobicContact CG1-CE 3.84Å; I63-M141 HydrophobicContact CG1-SD 4.44Å; I137-M141 HydrophobicContact CG1-CE 4.38Å; I137-M141 HydrophobicContact CG2-CE 4.31Å; I137-M141 WeakPolarHBondContact O-CB 3.33Å; I137-M141 PolarHBondContact O-N 3.46Å
142F73Confident63.6Low160 Ų16085.3 Ų85.370%0.70243%0.432SS*.Iπ-helixtrans-91.7-18.1-174.6-80-88000115.1I137 I138I137-F142 HydrophobicContact CG2-CD2 4.29Å; I137-F142 HydrophobicContact CG2-CE2 4.13Å; I138-F142 WeakPolarHBondContact O-CB 3.18Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.12Å
143L66.8Low60.7Low36 Ų3691.8 Ų91.819%0.18847%0.47CS..SBendtrans-102.9108.5-173.3-78.6153.8000111.9M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.78Å; M1-L143 VanDerWaalsContact O-CD2 3.24Å; M1-L143 WeakPolarHBondContact O-CD2 3.45Å; V3-L143 HydrophobicContact CG2-CB 4.07Å; V3-L143 HydrophobicContact CG2-CD1 4.09Å; V3-L143 HydrophobicContact CG2-CD2 4.28Å; V3-L143 HydrophobicContact CG2-CG 4.37Å; K8-L143 WeakPolarHBondContact CE-O 3.33Å; K8-L143 PolarHBondContact NZ-O 3Å; I138-L143 HydrophobicContact CG2-CD1 4.19Å; I139-L143 HydrophobicContact CG1-CD1 4.46Å
144S56.3Low57.9Low92 Ų9295.3 Ų95.364%0.64351%0.506SS*.PPolyproline II helixtrans-70.5163-171.8-159.90000114.8
145H53.8Low55Low67 Ų6798.3 Ų98.331%0.3152%0.522SS..PPolyproline II helixtrans-88.6155.3173.5-135.5-96.8000110.2
146R44Very low52.2Low174 Ų174101.5 Ų101.566%0.65755%0.545SS*.PPolyproline II helixtrans-96.8120.6167.5174.1175.5173.7135.7-10.1107.8T2 E148T2-R146 HydrophobicContact CG2-CB 4.2Å; R146-E148 IonicContact CZ-OE1 3.7Å; R146-E148 IonicContact NE-OE1 2.9Å; R146-E148 PolarHBondContact NE-OE1 3.1Å; R146-E148 IonicContact NH2-OE1 2.79Å; R146-E148 PolarHBondContact NH2-OE1 2.66Å
147D37.1Very low49.8Very low143 Ų143107.4 Ų107.477%0.76558%0.581SS**PPolyproline II helixtrans-84149162.5-63-45.5000109.1
148E38.8Very low47Very low146 Ų146113.1 Ų113.168%0.68262%0.617SS**  trans-148.9111.3-177.9-161.8149.2-110.300107R146R146-E148 IonicContact CZ-OE1 3.7Å; R146-E148 IonicContact NE-OE1 2.9Å; R146-E148 PolarHBondContact NE-OE1 3.1Å; R146-E148 IonicContact NH2-OE1 2.79Å; R146-E148 PolarHBondContact NH2-OE1 2.66Å
149Q30.4Very low44.6Very low173 Ų173115.9 Ų115.981%0.80864%0.637SS**  trans-90.6-178.4-176.3-64.8172.6-9500111.1
150L32.6Very low42Very low148 Ų148126.3 Ų126.378%0.77567%0.674SS**  trans73.6137.5-179.7-64.475.4000114.8
151D28.3Very low39.6Very low143 Ų143130.8 Ų130.877%0.76571%0.706SS**  cis-154.3174.3-15.5-111.6-21.5000111.3
152V30.3Very low37.3Very low128 Ų128134.2 Ų134.278%0.77672%0.721SS**  trans-132147.3-169.4-160.40000111.5
153V28.2Very low35.4Very low146 Ų146132 Ų13289%0.88573%0.725SS**  trans76.5134.9171.3-163.40000116.8
154G28Very low33.9Very low74 Ų74132.6 Ų132.676%0.76374%0.74SS**  trans134.6111.3156.300000116.2
155D28.5Very low32.7Very low148 Ų148137.4 Ų137.479%0.79174%0.744SS**  trans-90.6152.2170.7-75.4-61.2000112.8
156V26.4Very low32Very low145 Ų145141.9 Ų141.988%0.87977%0.765SS**  trans176.1144.7137.9146.50000109.8
157V35.7Very low31.8Very low126 Ų126140.4 Ų140.476%0.76477%0.766SS**  trans-93.5141.4-171.8176.80000113.1V159V157-V159 HydrophobicContact CG1-CG2 4.45Å
158T27.4Very low31.8Very low140 Ų140143 Ų14386%0.85977%0.765SS**  trans-138.4153.415653.60000111.5
159V34.5Very low31.7Very low130 Ų130145.1 Ų145.179%0.78877%0.766SS**  trans-114115.9-167.3177.60000112.5V157V157-V159 HydrophobicContact CG1-CG2 4.45Å
160R27.1Very low32.2Very low244 Ų244143.3 Ų143.392%0.92176%0.758SS**  trans-169.4159153.8-122173.6171.386.8-2.4115.3
161S27Very low32.4Very low97 Ų97145.7 Ų145.768%0.67876%0.757SS**  trans73.7115.8165.2-158.90000118.5S163S161-S163 PolarHBondContact OG-OG 3.3Å
162E29.4Very low32.8Very low159 Ų159145.7 Ų145.774%0.74375%0.75SS**  trans-90.1-10.2-177.8-62.3-167.792.300115.1G164 R165E162-G164 PolarHBondContact O-N 3.28Å; E162-R165 PolarHBondContact O-N 2.99Å
163S33Very low33.2Very low113 Ų113144.3 Ų144.379%0.7974%0.738SS**THydrogen-bonded Turntrans-66.4-12.5-165.356.50000116S161S161-S163 PolarHBondContact OG-OG 3.3Å
164G35Very low33.7Very low48 Ų48140 Ų14050%0.49572%0.717SS.*THydrogen-bonded Turntrans-85.8-3.1-177.400000116.3E162 E166E162-G164 PolarHBondContact O-N 3.28Å; G164-E166 PolarHBondContact O-N 3.32Å
165R32.1Very low34.3Very low193 Ų193139.4 Ų139.473%0.72871%0.705SS**Hα-helixtrans-70.1-34.6-162.3-127.6168.8-175.11560.2114.6E162 R169E162-R165 PolarHBondContact O-N 2.99Å; R165-R169 WeakPolarHBondContact O-CB 3.48Å; R165-R169 PolarHBondContact O-N 2.91Å
166E37.9Very low34.9Very low162 Ų162137.1 Ų137.176%0.75769%0.692SS**Hα-helixtrans-82.1-45.1-174.7-67.8-170.5114.900114.4G164 R168 R169 Q170G164-E166 PolarHBondContact O-N 3.32Å; E166-R168 PolarHBondContact O-N 3.43Å; E166-R169 CarbonylContact O-C 3.39Å; E166-R169 WeakPolarHBondContact O-CA 3.4Å; E166-R169 WeakPolarHBondContact O-CB 3.15Å; E166-R169 PolarHBondContact O-N 2.84Å; E166-Q170 PolarHBondContact O-N 3.03Å
167Q39.3Very low35.5Very low143 Ų143135.7 Ų135.767%0.66868%0.677SS**Hα-helixtrans-59.6-36.4175.9-89-174.3-11.400112.1R169 R171Q167-R169 VanDerWaalsContact C-N 3.33Å; Q167-R171 PolarHBondContact O-N 3.38Å
168R36.9Very low35.7Very low196 Ų196139.4 Ų139.474%0.7468%0.677SS**Hα-helixtrans-70.7-29.9175.1-143.5171.2-170.8178.92.1111.7E166 K172E166-R168 PolarHBondContact O-N 3.43Å; R168-K172 WeakPolarHBondContact O-CB 3.35Å; R168-K172 WeakPolarHBondContact O-CG 3.39Å; R168-K172 PolarHBondContact O-N 2.9Å
169R38.1Very low36.5Very low191 Ų191135.6 Ų135.672%0.72166%0.657SS**Hα-helixtrans-72-41.9173.5-152.3175-166.2178.23.9111.8R165 E166 Q167 K172 L173R165-R169 WeakPolarHBondContact O-CB 3.48Å; R165-R169 PolarHBondContact O-N 2.91Å; E166-R169 CarbonylContact O-C 3.39Å; E166-R169 WeakPolarHBondContact O-CA 3.4Å; E166-R169 WeakPolarHBondContact O-CB 3.15Å; E166-R169 PolarHBondContact O-N 2.84Å; Q167-R169 VanDerWaalsContact C-N 3.33Å; R169-K172 PolarHBondContact O-N 2.95Å; R169-L173 WeakPolarHBondContact O-CB 3.35Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.39Å
170Q40.1Very low36.8Very low136 Ų136132 Ų13264%0.63664%0.64SS**Hα-helixtrans-64.9-45.4173.9-76.3-177.3-19.300112.5E166 L173 A174E166-Q170 PolarHBondContact O-N 3.03Å; Q170-L173 PolarHBondContact O-N 3.03Å; Q170-A174 PolarHBondContact O-N 2.94Å
171R37.2Very low37.5Very low197 Ų197124 Ų12474%0.74362%0.615SS**Hα-helixtrans-65.5-37.5175.9-73.7-176.2177.91721.2112.5Q167 A175Q167-R171 PolarHBondContact O-N 3.38Å; R171-A175 WeakPolarHBondContact O-CB 3.49Å; R171-A175 PolarHBondContact O-N 2.99Å; R171-A175 VanDerWaalsContact O-N 3.1Å
172K37.3Very low38.3Very low144 Ų144120.9 Ų120.963%0.62660%0.598SS**Hα-helixtrans-63.7-44.2169.3-82.9-168.2171.7-1710111.7R168 R169 A174 A175 I176R168-K172 WeakPolarHBondContact O-CB 3.35Å; R168-K172 WeakPolarHBondContact O-CG 3.39Å; R168-K172 PolarHBondContact O-N 2.9Å; R169-K172 PolarHBondContact O-N 2.95Å; K172-A174 PolarHBondContact O-N 2.91Å; K172-A175 PolarHBondContact O-N 3.04Å; K172-I176 HydrophobicContact CB-CD1 4.28Å; K172-I176 VanDerWaalsContact O-CB 3.28Å; K172-I176 WeakPolarHBondContact O-CB 3.45Å; K172-I176 WeakPolarHBondContact O-CD1 3.42Å; K172-I176 WeakPolarHBondContact O-CG1 2.81Å; K172-I176 PolarHBondContact O-N 3.44Å
173L38.2Very low39.1Very low99 Ų99117.2 Ų117.252%0.51858%0.584SS.*Hα-helixtrans-59.5-43.6176.2-88.8163.1000112.3R169 Q170 I176 M177R169-L173 WeakPolarHBondContact O-CB 3.35Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.39Å; Q170-L173 PolarHBondContact O-N 3.03Å; L173-I176 PolarHBondContact O-N 3.48Å; L173-M177 WeakPolarHBondContact O-CB 3.42Å; L173-M177 PolarHBondContact O-N 3.22Å
174A38.7Very low39.5Very low54 Ų54114.5 Ų114.545%0.44657%0.565SS.*Hα-helixtrans-63.7-42.1176.200000112.3Q170 K172 M177 W178Q170-A174 PolarHBondContact O-N 2.94Å; K172-A174 PolarHBondContact O-N 2.91Å; A174-M177 PolarHBondContact O-N 3.29Å; A174-W178 WeakPolarHBondContact O-CB 3.16Å; A174-W178 PolarHBondContact O-N 2.73Å
175A41.3Very low40.1Very low62 Ų62116.9 Ų116.951%0.51257%0.566SS.*Hα-helixtrans-69.8-38.1177.300000113R171 K172 S179R171-A175 WeakPolarHBondContact O-CB 3.49Å; R171-A175 PolarHBondContact O-N 2.99Å; R171-A175 VanDerWaalsContact O-N 3.1Å; K172-A175 PolarHBondContact O-N 3.04Å; A175-S179 WeakPolarHBondContact O-CB 3.18Å; A175-S179 PolarHBondContact O-N 3.1Å; A175-S179 PolarHBondContact O-OG 3.08Å
176I40.5Very low41.2Very low100 Ų100114.3 Ų114.351%0.51356%0.556SS.*Hα-helixtrans-69.2-38.1174.2-69.2164.5000110.3K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.28Å; K172-I176 VanDerWaalsContact O-CB 3.28Å; K172-I176 WeakPolarHBondContact O-CB 3.45Å; K172-I176 WeakPolarHBondContact O-CD1 3.42Å; K172-I176 WeakPolarHBondContact O-CG1 2.81Å; K172-I176 PolarHBondContact O-N 3.44Å; L173-I176 PolarHBondContact O-N 3.48Å; I176-S179 PolarHBondContact O-N 2.89Å; I176-S179 PolarHBondContact O-OG 3.37Å; I176-A180 WeakPolarHBondContact O-CB 3.37Å; I176-A180 PolarHBondContact O-N 3.22Å
177M38.4Very low41.9Very low116 Ų116113.7 Ų113.757%0.57155%0.547SS*.Hα-helixtrans-66.8-43.5175.1-172-177.2-66.500110.8L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CB 3.42Å; L173-M177 PolarHBondContact O-N 3.22Å; A174-M177 PolarHBondContact O-N 3.29Å; M177-A180 PolarHBondContact O-N 3.29Å; M177-I181 HydrophobicContact CG-CD1 3.85Å; M177-I181 HydrophobicContact CG-CG1 4.49Å; M177-I181 VanDerWaalsContact O-CB 3.23Å; M177-I181 WeakPolarHBondContact O-CB 3.46Å; M177-I181 WeakPolarHBondContact O-CG1 3.4Å; M177-I181 PolarHBondContact O-N 3.38Å
178W40.1Very low42.6Very low203 Ų203111.8 Ų111.877%0.76954%0.54SS*.Hα-helixtrans-67.2-34.9174-101.184.7000113.5A174 G182A174-W178 WeakPolarHBondContact O-CB 3.16Å; A174-W178 PolarHBondContact O-N 2.73Å; W178-G182 PolarHBondContact O-N 3.09Å
179S45.4Very low43.9Very low61 Ų61104.2 Ų104.243%0.42752%0.516SS..Hα-helixtrans-75.7-34.9175.7750000112.5A175 I176 G182 N183A175-S179 WeakPolarHBondContact O-CB 3.18Å; A175-S179 PolarHBondContact O-N 3.1Å; A175-S179 PolarHBondContact O-OG 3.08Å; I176-S179 PolarHBondContact O-N 2.89Å; I176-S179 PolarHBondContact O-OG 3.37Å; S179-G182 PolarHBondContact O-N 3.31Å; S179-N183 VanDerWaalsContact O-CB 3.3Å; S179-N183 WeakPolarHBondContact O-CB 3.31Å; S179-N183 PolarHBondContact O-N 2.66Å; S179-N183 PolarHBondContact O-ND2 3.4Å
180A40.1Very low45.3Very low53 Ų5397.3 Ų97.344%0.43849%0.494SS..Hα-helixtrans-67.6-43.7171.300000111.3I176 M177 N183 S184I176-A180 WeakPolarHBondContact O-CB 3.37Å; I176-A180 PolarHBondContact O-N 3.22Å; M177-A180 PolarHBondContact O-N 3.29Å; A180-N183 PolarHBondContact O-N 3.11Å; A180-S184 WeakPolarHBondContact O-CB 3.29Å; A180-S184 PolarHBondContact O-N 2.79Å; A180-S184 PolarHBondContact O-OG 2.86Å
181I40.7Very low46.7Very low77 Ų7796.6 Ų96.640%0.39549%0.488SS..Hα-helixtrans-60.4-49.6171.8-73.3168.4000109.5M177 N183 S184 L185M177-I181 HydrophobicContact CG-CD1 3.85Å; M177-I181 HydrophobicContact CG-CG1 4.49Å; M177-I181 VanDerWaalsContact O-CB 3.23Å; M177-I181 WeakPolarHBondContact O-CB 3.46Å; M177-I181 WeakPolarHBondContact O-CG1 3.4Å; M177-I181 PolarHBondContact O-N 3.38Å; I181-N183 PolarHBondContact O-N 2.96Å; I181-S184 WeakPolarHBondContact CA-OG 3.37Å; I181-S184 PolarHBondContact O-N 3.46Å; I181-S184 PolarHBondContact O-OG 2.94Å; I181-L185 HydrophobicContact CG2-CD1 3.69Å; I181-L185 VanDerWaalsContact O-CD1 3.31Å; I181-L185 WeakPolarHBondContact O-CD1 3.3Å; I181-L185 PolarHBondContact O-N 2.67Å
182G44.3Very low48.2Very low32 Ų3290.1 Ų90.133%0.3347%0.471SS..Hα-helixtrans-59.9-40.1177.700000114.2W178 S179 R186W178-G182 PolarHBondContact O-N 3.09Å; S179-G182 PolarHBondContact O-N 3.31Å; G182-R186 WeakPolarHBondContact O-CG 3.5Å; G182-R186 PolarHBondContact O-N 3.24Å
183N45.8Very low50.1Low81 Ų8183.7 Ų83.743%0.43344%0.443SS..Hα-helixtrans-76.7-30.1175.6-76-28.9000112.8S179 A180 I181 R186 R187S179-N183 VanDerWaalsContact O-CB 3.3Å; S179-N183 WeakPolarHBondContact O-CB 3.31Å; S179-N183 PolarHBondContact O-N 2.66Å; S179-N183 PolarHBondContact O-ND2 3.4Å; A180-N183 PolarHBondContact O-N 3.11Å; I181-N183 PolarHBondContact O-N 2.96Å; N183-R186 PolarHBondContact O-N 3.23Å; N183-R186 PolarHBondContact OD1-NH1 3.43Å; N183-R187 PolarHBondContact O-N 3.1Å; N183-R187 VanDerWaalsContact O-N 3.1Å
184S42Very low52Low56 Ų5680.8 Ų80.839%0.39243%0.426SS..Hα-helixtrans-67.2-45.317178.30000110.4A180 I181 R186 R187 L188A180-S184 WeakPolarHBondContact O-CB 3.29Å; A180-S184 PolarHBondContact O-N 2.79Å; A180-S184 PolarHBondContact O-OG 2.86Å; I181-S184 WeakPolarHBondContact CA-OG 3.37Å; I181-S184 PolarHBondContact O-N 3.46Å; I181-S184 PolarHBondContact O-OG 2.94Å; S184-R186 VanDerWaalsContact C-N 3.34Å; S184-R186 PolarHBondContact O-N 3.42Å; S184-R187 PolarHBondContact O-N 3.05Å; S184-R187 VanDerWaalsContact O-N 3.08Å; S184-L188 WeakPolarHBondContact O-CB 3.46Å; S184-L188 PolarHBondContact O-N 3.08Å
185L47.8Very low53.8Low99 Ų9981.8 Ų81.852%0.51842%0.424SS..Hα-helixtrans-57.8-44170.6-96.188.6000110.9I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.69Å; I181-L185 VanDerWaalsContact O-CD1 3.31Å; I181-L185 WeakPolarHBondContact O-CD1 3.3Å; I181-L185 PolarHBondContact O-N 2.67Å; L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 3.3Å; L185-L188 PolarHBondContact O-N 2.71Å; L185-T189 WeakPolarHBondContact O-CB 3.36Å; L185-T189 WeakPolarHBondContact O-CG2 3.42Å; L185-T189 PolarHBondContact O-N 2.83Å; L185-T189 PolarHBondContact O-OG1 2.71Å
186R54.4Low55.9Low138 Ų13880.9 Ų80.952%0.52141%0.408SS..Hα-helixtrans-59.3-31.2175.4-80.7170.8162.5-177.3-7.4114.1G182 N183 S184 T189 N190G182-R186 WeakPolarHBondContact O-CG 3.5Å; G182-R186 PolarHBondContact O-N 3.24Å; N183-R186 PolarHBondContact O-N 3.23Å; N183-R186 PolarHBondContact OD1-NH1 3.43Å; S184-R186 VanDerWaalsContact C-N 3.34Å; S184-R186 PolarHBondContact O-N 3.42Å; R186-T189 PolarHBondContact O-OG1 2.75Å; R186-N190 PolarHBondContact O-ND2 3.05Å
187R53.7Low58.1Low150 Ų15076.4 Ų76.457%0.56639%0.386SS*.Hα-helixtrans-78.8-53.1172.5-77.7179.4161.9176.9-6.5111.3N183 S184 L185 T189 N190 F352N183-R187 PolarHBondContact O-N 3.1Å; N183-R187 VanDerWaalsContact O-N 3.1Å; S184-R187 PolarHBondContact O-N 3.05Å; S184-R187 VanDerWaalsContact O-N 3.08Å; L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 3.3Å; R187-T189 VanDerWaalsContact C-N 3.27Å; R187-T189 PolarHBondContact O-N 2.66Å; R187-N190 PolarHBondContact O-N 3.26Å; R187-N190 VanDerWaalsContact O-N 3.12Å; R187-F352 VanDerWaalsContact NH2-CZ 3.28Å
188L54.3Low60.3Low102 Ų10271.3 Ų71.353%0.53436%0.363SS..Hα-helixtrans-62.3-32.6-176.1-155.9161.2000111.6S184 L185 N190 F191 V192S184-L188 WeakPolarHBondContact O-CB 3.46Å; S184-L188 PolarHBondContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 2.71Å; L188-N190 VanDerWaalsContact C-N 3.25Å; L188-N190 PolarHBondContact O-N 3.27Å; L188-F191 CarbonylContact O-C 3.24Å; L188-F191 WeakPolarHBondContact O-CA 3.34Å; L188-F191 WeakPolarHBondContact O-CB 3.38Å; L188-F191 PolarHBondContact O-N 3.24Å; L188-V192 HydrophobicContact CD2-CG2 3.67Å; L188-V192 PolarHBondContact O-N 3.02Å
189T64.3Low62.6Low38 Ų3866 Ų6623%0.23334%0.343CS..Hα-helixtrans-63.9-21.617644.60000114.4L185 R186 R187 L193 Q326L185-T189 WeakPolarHBondContact O-CB 3.36Å; L185-T189 WeakPolarHBondContact O-CG2 3.42Å; L185-T189 PolarHBondContact O-N 2.83Å; L185-T189 PolarHBondContact O-OG1 2.71Å; R186-T189 PolarHBondContact O-OG1 2.75Å; R187-T189 VanDerWaalsContact C-N 3.27Å; R187-T189 PolarHBondContact O-N 2.66Å; T189-L193 WeakPolarHBondContact O-CB 3.28Å; T189-L193 PolarHBondContact O-N 2.83Å; T189-Q326 PolarHBondContact OG1-NE2 2.94Å
190N66.8Low64.6Low46 Ų4663.1 Ų63.125%0.24632%0.323CS..Hα-helixtrans-74.7-31.5169.5-75.7-74.5000112.2R186 R187 L188 F194 Y234 K238R186-N190 PolarHBondContact O-ND2 3.05Å; R187-N190 PolarHBondContact O-N 3.26Å; R187-N190 VanDerWaalsContact O-N 3.12Å; L188-N190 VanDerWaalsContact C-N 3.25Å; L188-N190 PolarHBondContact O-N 3.27Å; N190-F194 PolarHBondContact O-N 3.21Å; N190-F194 VanDerWaalsContact O-N 3.13Å; N190-Y234 WeakPolarHBondContact OD1-CE1 3.32Å; N190-Y234 PolarHBondContact OD1-OH 3.32Å; N190-K238 PolarHBondContact OD1-NZ 3.32Å
191F68.9Low66.8Low120 Ų12060.6 Ų60.653%0.52630%0.302SS..Hα-helixtrans-73.6-39.8172.4176.2-104000111.6L188 L193 F194 L195L188-F191 CarbonylContact O-C 3.24Å; L188-F191 WeakPolarHBondContact O-CA 3.34Å; L188-F191 WeakPolarHBondContact O-CB 3.38Å; L188-F191 PolarHBondContact O-N 3.24Å; F191-L193 VanDerWaalsContact C-N 3.34Å; F191-L193 PolarHBondContact O-N 3.04Å; F191-F194 HydrophobicContact CD2-CD1 4.39Å; F191-F194 WeakPolarHBondContact O-CB 3.2Å; F191-F194 PolarHBondContact O-N 3.22Å; F191-L195 HydrophobicContact CD1-CD1 4.13Å; F191-L195 HydrophobicContact CE1-CD1 3.51Å; F191-L195 HydrophobicContact CE1-CG 4.28Å; F191-L195 HydrophobicContact CE2-CD1 4.41Å; F191-L195 HydrophobicContact CE2-CG 4.41Å; F191-L195 HydrophobicContact CZ-CD1 3.68Å; F191-L195 HydrophobicContact CZ-CD2 4.45Å; F191-L195 HydrophobicContact CZ-CG 4.15Å; F191-L195 PolarHBondContact O-N 3.08Å
192V69.4Low69Low61 Ų6157.4 Ų57.437%0.3729%0.286SS..Hα-helixtrans-58.5-46.1169.4177.40000110.7L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 3.67Å; L188-V192 PolarHBondContact O-N 3.02Å; V192-F194 VanDerWaalsContact C-N 3.29Å; V192-F194 PolarHBondContact O-N 3.5Å; V192-L195 PolarHBondContact O-N 2.88Å; V192-F196 VanDerWaalsContact O-CB 3.25Å; V192-F196 WeakPolarHBondContact O-CB 3.3Å; V192-F196 PolarHBondContact O-N 3.16Å
193L76.3Confident71Confident9 Ų956 Ų565%0.04727%0.27CS..Hα-helixtrans-61.5-38.6179.3-159.478.1000112.1T189 F191 T197 K238 L322 T323 Q326T189-L193 WeakPolarHBondContact O-CB 3.28Å; T189-L193 PolarHBondContact O-N 2.83Å; F191-L193 VanDerWaalsContact C-N 3.34Å; F191-L193 PolarHBondContact O-N 3.04Å; L193-T197 PolarHBondContact O-N 3.35Å; L193-T197 PolarHBondContact O-OG1 3.27Å; L193-K238 HydrophobicContact CD2-CD 4.37Å; L193-K238 VanDerWaalsContact CD2-CE 3.5Å; L193-K238 HydrophobicContact CD2-CG 4.5Å; L193-L322 HydrophobicContact CD1-CB 4.11Å; L193-T323 HydrophobicContact CD1-CG2 3.82Å; L193-T323 HydrophobicContact CD2-CG2 4.34Å; L193-T323 HydrophobicContact CG-CG2 4.4Å; L193-Q326 HydrophobicContact CD1-CG 4.31Å; L193-Q326 HydrophobicContact CD2-CB 4.43Å; L193-Q326 HydrophobicContact CD2-CG 4.35Å
194F79Confident72.8Confident38 Ų3853.2 Ų53.217%0.16725%0.254CS..Hα-helixtrans-62.4-52.5174.7166.5-102.8000111.9N190 F191 V192 F196 T197 A198 F216 I219 S220N190-F194 PolarHBondContact O-N 3.21Å; N190-F194 VanDerWaalsContact O-N 3.13Å; F191-F194 HydrophobicContact CD2-CD1 4.39Å; F191-F194 WeakPolarHBondContact O-CB 3.2Å; F191-F194 PolarHBondContact O-N 3.22Å; V192-F194 VanDerWaalsContact C-N 3.29Å; V192-F194 PolarHBondContact O-N 3.5Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 3.37Å; F194-T197 WeakPolarHBondContact O-CB 3.37Å; F194-T197 PolarHBondContact O-N 2.86Å; F194-T197 VanDerWaalsContact O-N 3.15Å; F194-A198 PolarHBondContact O-N 2.83Å; F194-F216 HydrophobicContact CD2-CD2 4.27Å; F194-F216 HydrophobicContact CE1-CE2 4.1Å; F194-F216 AromaticContact CE2-CD2 3.7Å; F194-F216 HydrophobicContact CE2-CD2 3.7Å; F194-F216 AromaticContact CE2-CE2 3.85Å; F194-F216 HydrophobicContact CE2-CE2 3.85Å; F194-F216 AromaticContact CZ-CD2 3.89Å; F194-F216 HydrophobicContact CZ-CD2 3.89Å; F194-F216 AromaticContact CZ-CE2 3.53Å; F194-F216 HydrophobicContact CZ-CE2 3.53Å; F194-I219 HydrophobicContact CD2-CB 4.39Å; F194-I219 HydrophobicContact CD2-CG2 3.7Å; F194-I219 HydrophobicContact CE2-CB 4.35Å; F194-I219 HydrophobicContact CE2-CG2 3.87Å; F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.42Å; F194-S220 VanDerWaalsContact CZ-OG 3.26Å; F194-S220 WeakPolarHBondContact CZ-OG 3.33Å
195L76.8Confident74.8Confident76 Ų7651.3 Ų51.340%0.39824%0.241SC..Hα-helixtrans-62-39.3176.3-68.5-179.8000112.5F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 4.13Å; F191-L195 HydrophobicContact CE1-CD1 3.51Å; F191-L195 HydrophobicContact CE1-CG 4.28Å; F191-L195 HydrophobicContact CE2-CD1 4.41Å; F191-L195 HydrophobicContact CE2-CG 4.41Å; F191-L195 HydrophobicContact CZ-CD1 3.68Å; F191-L195 HydrophobicContact CZ-CD2 4.45Å; F191-L195 HydrophobicContact CZ-CG 4.15Å; F191-L195 PolarHBondContact O-N 3.08Å; V192-L195 PolarHBondContact O-N 2.88Å; L195-T197 VanDerWaalsContact C-N 3.27Å; L195-T197 PolarHBondContact O-N 2.97Å; L195-A198 WeakPolarHBondContact O-CB 3.37Å; L195-A198 PolarHBondContact O-N 2.66Å; L195-Y199 PolarHBondContact O-N 2.68Å
196F84.8Confident76.5Confident42 Ų4246.7 Ų46.718%0.18422%0.216CC..Hα-helixtrans-69.4-26.3178.2-151.7-113000111.8V192 F194 Y199 V200 V315 V318 F319 L322V192-F196 VanDerWaalsContact O-CB 3.25Å; V192-F196 WeakPolarHBondContact O-CB 3.3Å; V192-F196 PolarHBondContact O-N 3.16Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 3.37Å; F196-Y199 HydrophobicContact CD2-CD1 4.11Å; F196-Y199 AromaticContact CE2-CD1 3.8Å; F196-Y199 HydrophobicContact CE2-CD1 3.8Å; F196-Y199 HydrophobicContact CE2-CE1 4.3Å; F196-Y199 HydrophobicContact CZ-CD1 4.41Å; F196-Y199 PolarHBondContact O-N 3.43Å; F196-V200 HydrophobicContact CD1-CG2 4.18Å; F196-V200 HydrophobicContact CE1-CG2 4.29Å; F196-V200 WeakPolarHBondContact O-CG2 3.15Å; F196-V200 PolarHBondContact O-N 2.86Å; F196-V315 HydrophobicContact CE1-CG1 4.41Å; F196-V315 HydrophobicContact CZ-CG1 4.19Å; F196-V318 HydrophobicContact CE1-CB 4.18Å; F196-V318 HydrophobicContact CE1-CG1 3.81Å; F196-V318 HydrophobicContact CZ-CB 4.19Å; F196-V318 HydrophobicContact CZ-CG1 3.75Å; F196-F319 HydrophobicContact CD1-CB 4.09Å; F196-F319 HydrophobicContact CD1-CD2 4.09Å; F196-F319 HydrophobicContact CE1-CB 3.96Å; F196-L322 HydrophobicContact CD1-CD1 3.89Å; F196-L322 HydrophobicContact CE1-CD1 4.04Å; F196-L322 HydrophobicContact CG-CD1 4.4Å
197T87.6Confident78.1Confident6 Ų643.5 Ų43.54%0.03721%0.21CC..Hα-helixtrans-66.6-41171-52.10000111.2L193 F194 L195 G201 A215 F216 F319L193-T197 PolarHBondContact O-N 3.35Å; L193-T197 PolarHBondContact O-OG1 3.27Å; F194-T197 WeakPolarHBondContact O-CB 3.37Å; F194-T197 PolarHBondContact O-N 2.86Å; F194-T197 VanDerWaalsContact O-N 3.15Å; L195-T197 VanDerWaalsContact C-N 3.27Å; L195-T197 PolarHBondContact O-N 2.97Å; T197-G201 PolarHBondContact O-N 3.19Å; T197-A215 HydrophobicContact CG2-CB 4.43Å; T197-F216 HydrophobicContact CG2-CB 4.4Å; T197-F319 HydrophobicContact CG2-CE2 4.47Å
198A84.4Confident79.6Confident10 Ų1036.6 Ų36.68%0.08318%0.184CC..Hα-helixtrans-61.7-46.4172.800000111.3F194 L195 V200 G201 I202 F216F194-A198 PolarHBondContact O-N 2.83Å; L195-A198 WeakPolarHBondContact O-CB 3.37Å; L195-A198 PolarHBondContact O-N 2.66Å; A198-V200 PolarHBondContact O-N 2.71Å; A198-G201 PolarHBondContact O-N 2.8Å; A198-G201 VanDerWaalsContact O-N 3.14Å; A198-I202 WeakPolarHBondContact O-CG1 3.21Å; A198-I202 PolarHBondContact O-N 3.36Å; A198-I202 VanDerWaalsContact O-N 3.09Å; A198-F216 HydrophobicContact CB-CB 4.24Å; A198-F216 HydrophobicContact CB-CD1 3.92Å; A198-F216 HydrophobicContact CB-CD2 3.53Å; A198-F216 HydrophobicContact CB-CE1 4.13Å; A198-F216 HydrophobicContact CB-CE2 3.75Å; A198-F216 HydrophobicContact CB-CG 3.6Å; A198-F216 HydrophobicContact CB-CZ 4.05Å
199Y87.2Confident81.2Confident92 Ų9231.8 Ų31.836%0.36116%0.159SC..Hα-helixtrans-59.8-47.5-179.9-174.7-114.5000112.6L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 2.68Å; F196-Y199 HydrophobicContact CD2-CD1 4.11Å; F196-Y199 AromaticContact CE2-CD1 3.8Å; F196-Y199 HydrophobicContact CE2-CD1 3.8Å; F196-Y199 HydrophobicContact CE2-CE1 4.3Å; F196-Y199 HydrophobicContact CZ-CD1 4.41Å; F196-Y199 PolarHBondContact O-N 3.43Å; Y199-G201 PolarHBondContact O-N 3.21Å; Y199-I202 PolarHBondContact O-N 3.24Å; Y199-I202 VanDerWaalsContact O-N 3.09Å; Y199-V203 HydrophobicContact CD1-CG2 4.04Å; Y199-V203 HydrophobicContact CD2-CG2 3.99Å; Y199-V203 HydrophobicContact CE1-CG2 3.69Å; Y199-V203 HydrophobicContact CE2-CG2 3.62Å; Y199-V203 HydrophobicContact CG-CG2 4.18Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.45Å; Y199-V203 VanDerWaalsContact O-CG2 3.31Å; Y199-V203 WeakPolarHBondContact O-CG2 3.36Å; Y199-V203 PolarHBondContact O-N 3.04Å; Y199-V315 HydrophobicContact CD1-CG1 3.88Å; Y199-V315 HydrophobicContact CD1-CG2 4.39Å; Y199-V315 HydrophobicContact CE1-CG1 4.02Å; Y199-V315 HydrophobicContact CE1-CG2 3.68Å
200V88Confident82.3Confident0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-59.4-36176.3-175.20000111.2F196 A198 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 4.18Å; F196-V200 HydrophobicContact CE1-CG2 4.29Å; F196-V200 WeakPolarHBondContact O-CG2 3.15Å; F196-V200 PolarHBondContact O-N 2.86Å; A198-V200 PolarHBondContact O-N 2.71Å; V200-Y212 HydrophobicContact CB-CD2 4.24Å; V200-Y212 HydrophobicContact CB-CG 4.27Å; V200-Y212 HydrophobicContact CG1-CD1 4.36Å; V200-Y212 HydrophobicContact CG1-CD2 3.41Å; V200-Y212 VanDerWaalsContact CG1-CD2 3.41Å; V200-Y212 HydrophobicContact CG1-CE1 4.49Å; V200-Y212 HydrophobicContact CG1-CE2 3.58Å; V200-Y212 HydrophobicContact CG1-CG 3.84Å; V200-V315 HydrophobicContact CB-CG1 4.11Å; V200-V315 HydrophobicContact CG1-CG1 4.35Å; V200-V315 HydrophobicContact CG2-CG1 3.52Å; V200-V316 HydrophobicContact CG1-CG2 4.09Å; V200-F319 HydrophobicContact CG2-CB 3.86Å; V200-F319 HydrophobicContact CG2-CD2 3.8Å; V200-F319 HydrophobicContact CG2-CG 3.98Å
201G85.8Confident83.4Confident0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-68.6-31.1175.800000114.6T197 A198 Y199T197-G201 PolarHBondContact O-N 3.19Å; A198-G201 PolarHBondContact O-N 2.8Å; A198-G201 VanDerWaalsContact O-N 3.14Å; Y199-G201 PolarHBondContact O-N 3.21Å
202I88.3Confident84.4Confident10 Ų1025.7 Ų25.75%0.05113%0.131CC..Hα-helixtrans-91.3-33.1-174.2-66.4166.8000112.7A198 Y199 K204 F213 V554 L557 T561A198-I202 WeakPolarHBondContact O-CG1 3.21Å; A198-I202 PolarHBondContact O-N 3.36Å; A198-I202 VanDerWaalsContact O-N 3.09Å; Y199-I202 PolarHBondContact O-N 3.24Å; Y199-I202 VanDerWaalsContact O-N 3.09Å; I202-K204 PolarHBondContact O-N 2.86Å; I202-F213 HydrophobicContact CG1-CD2 4.19Å; I202-F213 HydrophobicContact CG1-CE2 4.25Å; I202-V554 HydrophobicContact CG2-CB 4.49Å; I202-V554 HydrophobicContact CG2-CG1 4.36Å; I202-V554 HydrophobicContact CG2-CG2 4.48Å; I202-V554 WeakPolarHBondContact O-CG2 3.4Å; I202-L557 HydrophobicContact CD1-CB 4.48Å; I202-L557 HydrophobicContact CG1-CB 4.27Å; I202-L557 HydrophobicContact CG2-CB 3.8Å; I202-L557 HydrophobicContact CG2-CD1 4.35Å; I202-T561 HydrophobicContact CD1-CG2 4.2Å
203V85Confident85.4Confident1 Ų123 Ų231%0.00611%0.114CC..SBendtrans-52.6-34.5-171.6159.30000114.5Y199 P308 A311 N312 V554Y199-V203 HydrophobicContact CD1-CG2 4.04Å; Y199-V203 HydrophobicContact CD2-CG2 3.99Å; Y199-V203 HydrophobicContact CE1-CG2 3.69Å; Y199-V203 HydrophobicContact CE2-CG2 3.62Å; Y199-V203 HydrophobicContact CG-CG2 4.18Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.45Å; Y199-V203 VanDerWaalsContact O-CG2 3.31Å; Y199-V203 WeakPolarHBondContact O-CG2 3.36Å; Y199-V203 PolarHBondContact O-N 3.04Å; V203-P308 WeakPolarHBondContact O-CB 3.22Å; V203-A311 HydrophobicContact CG1-CB 4.22Å; V203-N312 HydrophobicContact CG1-CB 4.13Å; V203-V554 WeakPolarHBondContact O-CG2 3.42Å
204K84.1Confident85.9Confident24 Ų2427 Ų2710%0.10414%0.136CC..SBendtrans-145.6107.3168-174.2178.4-175.6-176.80108.7I202 S206 N209 G276 T278 L309 N312I202-K204 PolarHBondContact O-N 2.86Å; K204-S206 PolarHBondContact O-N 3.06Å; K204-S206 VanDerWaalsContact O-N 3.09Å; K204-N209 VanDerWaalsContact O-CB 3.31Å; K204-N209 WeakPolarHBondContact O-CB 3.24Å; K204-N209 PolarHBondContact O-ND2 2.76Å; K204-G276 PolarHBondContact NZ-O 2.82Å; K204-T278 PolarHBondContact NZ-OG1 2.67Å; K204-L309 HydrophobicContact CD-CD2 4.12Å; K204-N312 HydrophobicContact CB-CB 4.38Å
205P83.8Confident86.3Confident16 Ų1626.2 Ų26.210%0.10414%0.136CC..  trans-63.1112.7177.525.1-33.9000110.2Y523 S526 M527 A553P205-Y523 HydrophobicContact CB-CE2 4.15Å; P205-S526 VanDerWaalsContact CB-OG 3.32Å; P205-S526 WeakPolarHBondContact CB-OG 3.48Å; P205-S526 WeakPolarHBondContact CG-O 3.27Å; P205-M527 HydrophobicContact CB-CG 4.32Å; P205-A553 HydrophobicContact CG-CB 4.25Å
206S84.7Confident86.8Confident1 Ų122.9 Ų22.91%0.00712%0.118CC..SBendtrans-149.6170.6179.176.10000110.9K204 S208 N209 S210 Y523K204-S206 PolarHBondContact O-N 3.06Å; K204-S206 VanDerWaalsContact O-N 3.09Å; S206-S208 VanDerWaalsContact C-N 3.28Å; S206-S208 PolarHBondContact O-N 2.97Å; S206-S208 PolarHBondContact OG-N 2.73Å; S206-S208 PolarHBondContact OG-OG 2.88Å; S206-N209 PolarHBondContact O-N 3.39Å; S206-N209 PolarHBondContact OG-N 3.47Å; S206-S210 WeakPolarHBondContact O-CB 3.46Å; S206-S210 PolarHBondContact O-N 3.03Å; S206-Y523 PolarHBondContact N-OH 3.43Å; S206-Y523 VanDerWaalsContact N-OH 3.13Å; S206-Y523 PolarHBondContact O-OH 2.83Å
207L86.2Confident86.9Confident72 Ų7221.5 Ų21.538%0.37711%0.113SC..Hα-helixtrans-63.5-34.3172.6-174.560.9000112S210 L274 F275 M527L207-S210 PolarHBondContact O-OG 3.04Å; L207-L274 HydrophobicContact CB-CD1 4.27Å; L207-L274 HydrophobicContact CB-CG 4.15Å; L207-L274 VanDerWaalsContact CB-O 3.25Å; L207-L274 WeakPolarHBondContact CB-O 3.49Å; L207-L274 HydrophobicContact CD2-CD1 4.32Å; L207-L274 HydrophobicContact CD2-CD2 3.89Å; L207-L274 HydrophobicContact CD2-CG 3.9Å; L207-L274 PolarHBondContact N-O 3.28Å; L207-F275 HydrophobicContact CB-CD1 4.47Å; L207-F275 HydrophobicContact CD2-CD1 4.36Å; L207-F275 HydrophobicContact CD2-CE1 3.89Å; L207-F275 HydrophobicContact CD2-CZ 4.13Å; L207-F275 HydrophobicContact CG-CE1 4.41Å; L207-M527 HydrophobicContact CB-CE 4.49Å
208S85.9Confident86.8Confident5 Ų526.5 Ų26.54%0.03513%0.134CC..Hα-helixtrans-70.8-44.117761.50000112.6S206 S210 I211 Y244 H248 F275S206-S208 VanDerWaalsContact C-N 3.28Å; S206-S208 PolarHBondContact O-N 2.97Å; S206-S208 PolarHBondContact OG-N 2.73Å; S206-S208 PolarHBondContact OG-OG 2.88Å; S208-S210 VanDerWaalsContact C-N 3.29Å; S208-S210 PolarHBondContact O-N 2.99Å; S208-I211 PolarHBondContact O-N 2.85Å; S208-Y244 VanDerWaalsContact CA-OH 3.3Å; S208-Y244 WeakPolarHBondContact CA-OH 3.47Å; S208-Y244 WeakPolarHBondContact CB-OH 3.34Å; S208-Y244 PolarHBondContact O-OH 3.44Å; S208-H248 WeakPolarHBondContact CB-NE2 3.42Å; S208-H248 PolarHBondContact OG-CE1 3.29Å; S208-H248 PolarHBondContact OG-NE2 3.17Å; S208-F275 PolarHBondContact OG-O 3.49Å
209N88.5Confident86.7Confident0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-74-20.5179.6-79.9-20.9000113.1K204 S206 I211 Y212 F213 H248 N312K204-N209 VanDerWaalsContact O-CB 3.31Å; K204-N209 WeakPolarHBondContact O-CB 3.24Å; K204-N209 PolarHBondContact O-ND2 2.76Å; S206-N209 PolarHBondContact O-N 3.39Å; S206-N209 PolarHBondContact OG-N 3.47Å; N209-I211 PolarHBondContact O-N 3.43Å; N209-I211 VanDerWaalsContact O-N 3.11Å; N209-Y212 HydrophobicContact CB-CD2 4.39Å; N209-Y212 PolarHBondContact O-N 3.26Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.32Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.39Å; N209-F213 PolarHBondContact O-N 3.23Å; N209-H248 PolarHBondContact OD1-CE1 3.31Å; N209-N312 PolarHBondContact ND2-OD1 2.99Å
210S87.3Confident86.5Confident18 Ų1823 Ų2313%0.12612%0.12CC..Hα-helixtrans-55-31.8175.378.50000112.6S206 L207 S208 Y212 F213 L214 Y523S206-S210 WeakPolarHBondContact O-CB 3.46Å; S206-S210 PolarHBondContact O-N 3.03Å; L207-S210 PolarHBondContact O-OG 3.04Å; S208-S210 VanDerWaalsContact C-N 3.29Å; S208-S210 PolarHBondContact O-N 2.99Å; S210-Y212 VanDerWaalsContact C-N 3.33Å; S210-Y212 PolarHBondContact O-N 3.04Å; S210-F213 PolarHBondContact O-N 2.93Å; S210-L214 WeakPolarHBondContact O-CB 3.35Å; S210-L214 VanDerWaalsContact O-CG 3.29Å; S210-L214 WeakPolarHBondContact O-CG 3.37Å; S210-L214 PolarHBondContact O-N 3.16Å; S210-Y523 WeakPolarHBondContact CA-OH 3.45Å; S210-Y523 PolarHBondContact N-OH 3.49Å
211I89.8Confident86.3Confident58 Ų5825 Ų2530%0.29713%0.132SC..Hα-helixtrans-66.4-33.4179.3-69.6170.5000111.7S208 N209 A215 F240 Y244S208-I211 PolarHBondContact O-N 2.85Å; N209-I211 PolarHBondContact O-N 3.43Å; N209-I211 VanDerWaalsContact O-N 3.11Å; I211-A215 VanDerWaalsContact O-CB 3.24Å; I211-A215 WeakPolarHBondContact O-CB 3.36Å; I211-A215 PolarHBondContact O-N 3.33Å; I211-A215 VanDerWaalsContact O-N 3.15Å; I211-F240 HydrophobicContact CG2-CE1 4.03Å; I211-F240 HydrophobicContact CG2-CZ 4.5Å; I211-Y244 HydrophobicContact CB-CE1 4.09Å; I211-Y244 HydrophobicContact CD1-CE1 4.19Å; I211-Y244 HydrophobicContact CD1-CE2 3.89Å; I211-Y244 HydrophobicContact CG2-CD1 4.08Å; I211-Y244 HydrophobicContact CG2-CE1 4.08Å
212Y90.6Very high86.3Confident0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-75.5-40.3173-50-66.2000111.4V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.24Å; V200-Y212 HydrophobicContact CB-CG 4.27Å; V200-Y212 HydrophobicContact CG1-CD1 4.36Å; V200-Y212 HydrophobicContact CG1-CD2 3.41Å; V200-Y212 VanDerWaalsContact CG1-CD2 3.41Å; V200-Y212 HydrophobicContact CG1-CE1 4.49Å; V200-Y212 HydrophobicContact CG1-CE2 3.58Å; V200-Y212 HydrophobicContact CG1-CG 3.84Å; N209-Y212 HydrophobicContact CB-CD2 4.39Å; N209-Y212 PolarHBondContact O-N 3.26Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.32Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.39Å; S210-Y212 VanDerWaalsContact C-N 3.33Å; S210-Y212 PolarHBondContact O-N 3.04Å; Y212-A215 PolarHBondContact O-N 3.05Å; Y212-F216 PolarHBondContact O-N 2.78Å; Y212-L241 HydrophobicContact CD1-CD2 3.94Å; Y212-L241 HydrophobicContact CE1-CD2 4.23Å; Y212-Y244 AromaticContact CE1-CD1 3.78Å; Y212-Y244 HydrophobicContact CE1-CD1 3.78Å; Y212-Y244 HydrophobicContact CE1-CE1 4.19Å; Y212-Y244 HydrophobicContact CE2-CD1 4.49Å; Y212-Y244 HydrophobicContact CE2-CE1 4.1Å; Y212-Y244 AromaticContact CZ-CD1 3.67Å; Y212-Y244 AromaticContact CZ-CE1 3.7Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.49Å; Y212-H248 AromaticContact CE2-ND1 3.73Å; Y212-H248 AromaticContact CZ-ND1 3.95Å; Y212-H248 PolarHBondContact OH-ND1 3.43Å; Y212-F319 HydrophobicContact CD1-CE1 4.25Å; Y212-F319 HydrophobicContact CD1-CZ 4.27Å; Y212-F319 HydrophobicContact CE1-CD1 4.41Å; Y212-F319 AromaticContact CE1-CE1 3.9Å; Y212-F319 HydrophobicContact CE1-CE1 3.9Å; Y212-F319 HydrophobicContact CE1-CZ 4.38Å
213F88.4Confident85.9Confident4 Ų435 Ų352%0.01817%0.17CC..Hα-helixtrans-64.5-45.5178.1-172-113.3000112.2I202 N209 S210 A215 F216 L217 Y523 T561I202-F213 HydrophobicContact CG1-CD2 4.19Å; I202-F213 HydrophobicContact CG1-CE2 4.25Å; N209-F213 PolarHBondContact O-N 3.23Å; S210-F213 PolarHBondContact O-N 2.93Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 3.3Å; F213-F216 HydrophobicContact CD2-CD1 4.33Å; F213-F216 HydrophobicContact CE2-CD1 4.39Å; F213-F216 WeakPolarHBondContact O-CB 3.49Å; F213-F216 PolarHBondContact O-N 3.12Å; F213-L217 HydrophobicContact CD1-CD1 4.07Å; F213-L217 HydrophobicContact CE1-CD1 3.71Å; F213-L217 HydrophobicContact CE1-CG 4.35Å; F213-L217 HydrophobicContact CZ-CD1 4.2Å; F213-L217 HydrophobicContact CZ-CG 4.46Å; F213-L217 PolarHBondContact O-N 2.97Å; F213-Y523 HydrophobicContact CB-CE2 4.13Å; F213-Y523 AromaticContact CD1-CD2 3.68Å; F213-Y523 HydrophobicContact CD1-CD2 3.68Å; F213-Y523 HydrophobicContact CD1-CE2 4.12Å; F213-Y523 HydrophobicContact CD1-CG 4.09Å; F213-Y523 HydrophobicContact CD2-CD2 4.49Å; F213-Y523 AromaticContact CE1-CD2 3.91Å; F213-Y523 HydrophobicContact CE1-CD2 3.91Å; F213-Y523 HydrophobicContact CE1-CG 4.16Å; F213-Y523 HydrophobicContact CG-CD2 4Å; F213-Y523 HydrophobicContact CG-CE2 4.08Å; F213-Y523 HydrophobicContact CZ-CD2 4.42Å; F213-T561 HydrophobicContact CE2-CG2 4.06Å; F213-T561 HydrophobicContact CZ-CG2 4.49Å
214L88.1Confident85.7Confident95 Ų9535 Ų3550%0.49717%0.169SC..Hα-helixtrans-64.2-37.2174-70.2170.6000112.1S210 L217 F218S210-L214 WeakPolarHBondContact O-CB 3.35Å; S210-L214 VanDerWaalsContact O-CG 3.29Å; S210-L214 WeakPolarHBondContact O-CG 3.37Å; S210-L214 PolarHBondContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 2.93Å; L214-F218 VanDerWaalsContact O-CB 3.25Å; L214-F218 WeakPolarHBondContact O-CB 3.42Å; L214-F218 PolarHBondContact O-N 3.41Å
215A86.6Confident85.6Confident20 Ų2036.2 Ų36.217%0.16518%0.179CC..Hα-helixtrans-65.2-38.9172.700000112.1T197 I211 Y212 F213 I219T197-A215 HydrophobicContact CG2-CB 4.43Å; I211-A215 VanDerWaalsContact O-CB 3.24Å; I211-A215 WeakPolarHBondContact O-CB 3.36Å; I211-A215 PolarHBondContact O-N 3.33Å; I211-A215 VanDerWaalsContact O-N 3.15Å; Y212-A215 PolarHBondContact O-N 3.05Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 3.3Å; A215-I219 WeakPolarHBondContact O-CB 3.5Å; A215-I219 WeakPolarHBondContact O-CD1 3.38Å; A215-I219 WeakPolarHBondContact O-CG1 3.44Å; A215-I219 PolarHBondContact O-N 3.38Å
216F88.4Confident85.2Confident6 Ų638.7 Ų38.73%0.02619%0.187CC..Hα-helixtrans-63.4-48.4173.3159-106.5000112F194 T197 A198 Y212 F213 I219 S220 T561F194-F216 HydrophobicContact CD2-CD2 4.27Å; F194-F216 HydrophobicContact CE1-CE2 4.1Å; F194-F216 AromaticContact CE2-CD2 3.7Å; F194-F216 HydrophobicContact CE2-CD2 3.7Å; F194-F216 AromaticContact CE2-CE2 3.85Å; F194-F216 HydrophobicContact CE2-CE2 3.85Å; F194-F216 AromaticContact CZ-CD2 3.89Å; F194-F216 HydrophobicContact CZ-CD2 3.89Å; F194-F216 AromaticContact CZ-CE2 3.53Å; F194-F216 HydrophobicContact CZ-CE2 3.53Å; T197-F216 HydrophobicContact CG2-CB 4.4Å; A198-F216 HydrophobicContact CB-CB 4.24Å; A198-F216 HydrophobicContact CB-CD1 3.92Å; A198-F216 HydrophobicContact CB-CD2 3.53Å; A198-F216 HydrophobicContact CB-CE1 4.13Å; A198-F216 HydrophobicContact CB-CE2 3.75Å; A198-F216 HydrophobicContact CB-CG 3.6Å; A198-F216 HydrophobicContact CB-CZ 4.05Å; Y212-F216 PolarHBondContact O-N 2.78Å; F213-F216 HydrophobicContact CD2-CD1 4.33Å; F213-F216 HydrophobicContact CE2-CD1 4.39Å; F213-F216 WeakPolarHBondContact O-CB 3.49Å; F213-F216 PolarHBondContact O-N 3.12Å; F216-I219 PolarHBondContact O-N 2.94Å; F216-S220 VanDerWaalsContact CE2-OG 3.32Å; F216-S220 WeakPolarHBondContact CE2-OG 3.34Å; F216-S220 WeakPolarHBondContact O-CB 3.41Å; F216-S220 PolarHBondContact O-N 3.49Å; F216-S220 PolarHBondContact O-OG 2.89Å; F216-T561 HydrophobicContact CE1-CG2 4.27Å
217L85.8Confident84.5Confident13 Ų1341.6 Ų41.67%0.06820%0.204CC..Hα-helixtrans-59.3-53.1176.3-70.8178.2000110.5F213 L214 I219 S220 T221 L519 I520F213-L217 HydrophobicContact CD1-CD1 4.07Å; F213-L217 HydrophobicContact CE1-CD1 3.71Å; F213-L217 HydrophobicContact CE1-CG 4.35Å; F213-L217 HydrophobicContact CZ-CD1 4.2Å; F213-L217 HydrophobicContact CZ-CG 4.46Å; F213-L217 PolarHBondContact O-N 2.97Å; L214-L217 PolarHBondContact O-N 2.93Å; L217-I219 VanDerWaalsContact C-N 3.31Å; L217-I219 PolarHBondContact O-N 3.31Å; L217-S220 CarbonylContact O-C 3.57Å; L217-S220 WeakPolarHBondContact O-CA 3.48Å; L217-S220 WeakPolarHBondContact O-CB 3.47Å; L217-S220 PolarHBondContact O-N 2.77Å; L217-T221 PolarHBondContact O-N 3.01Å; L217-T221 PolarHBondContact O-OG1 3.32Å; L217-L519 HydrophobicContact CD2-CD1 4.24Å; L217-I520 HydrophobicContact CD1-CG1 4.18Å
218F85.7Confident83.3Confident111 Ų11142.1 Ų42.149%0.48721%0.212SC..Hα-helixtrans-54-43.6178.8-180-99.3000113.2L214 W222L214-F218 VanDerWaalsContact O-CB 3.25Å; L214-F218 WeakPolarHBondContact O-CB 3.42Å; L214-F218 PolarHBondContact O-N 3.41Å; F218-W222 HydrophobicContact CE1-CE3 4.17Å; F218-W222 HydrophobicContact CE2-CE3 4.09Å; F218-W222 HydrophobicContact CE2-CZ3 4.35Å; F218-W222 AromaticContact CZ-CE3 3.61Å; F218-W222 HydrophobicContact CZ-CE3 3.61Å; F218-W222 AromaticContact CZ-CZ3 3.8Å; F218-W222 HydrophobicContact CZ-CZ3 3.8Å; F218-W222 VanDerWaalsContact O-CB 3.25Å; F218-W222 WeakPolarHBondContact O-CB 3.45Å; F218-W222 PolarHBondContact O-N 3.44Å
219I83.2Confident82.3Confident28 Ų2844.5 Ų44.514%0.14422%0.224CC..Hα-helixtrans-68.7-36.2176.6-66.9166.5000111.4F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.39Å; F194-I219 HydrophobicContact CD2-CG2 3.7Å; F194-I219 HydrophobicContact CE2-CB 4.35Å; F194-I219 HydrophobicContact CE2-CG2 3.87Å; A215-I219 WeakPolarHBondContact O-CB 3.5Å; A215-I219 WeakPolarHBondContact O-CD1 3.38Å; A215-I219 WeakPolarHBondContact O-CG1 3.44Å; A215-I219 PolarHBondContact O-N 3.38Å; F216-I219 PolarHBondContact O-N 2.94Å; L217-I219 VanDerWaalsContact C-N 3.31Å; L217-I219 PolarHBondContact O-N 3.31Å; I219-W223 VanDerWaalsContact O-CB 3.27Å; I219-W223 WeakPolarHBondContact O-CB 3.49Å; I219-W223 PolarHBondContact O-N 2.86Å
220S81.5Confident81.2Confident2 Ų253.8 Ų53.81%0.01426%0.259CS..Hα-helixtrans-67.5-49.1177.5-57.90000112.1F194 F216 L217 W222 W223 S224F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.42Å; F194-S220 VanDerWaalsContact CZ-OG 3.26Å; F194-S220 WeakPolarHBondContact CZ-OG 3.33Å; F216-S220 VanDerWaalsContact CE2-OG 3.32Å; F216-S220 WeakPolarHBondContact CE2-OG 3.34Å; F216-S220 WeakPolarHBondContact O-CB 3.41Å; F216-S220 PolarHBondContact O-N 3.49Å; F216-S220 PolarHBondContact O-OG 2.89Å; L217-S220 CarbonylContact O-C 3.57Å; L217-S220 WeakPolarHBondContact O-CA 3.48Å; L217-S220 WeakPolarHBondContact O-CB 3.47Å; L217-S220 PolarHBondContact O-N 2.77Å; S220-W222 PolarHBondContact O-N 3.12Å; S220-W223 WeakPolarHBondContact O-CB 3.43Å; S220-W223 PolarHBondContact O-N 3.47Å; S220-S224 PolarHBondContact O-N 3.25Å
221T85.3Confident80.1Confident41 Ų4158.2 Ų58.225%0.25228%0.278SS..Hα-helixtrans-62.2-44.2177.2-40.60000110L217 W223 S224 T225 E516L217-T221 PolarHBondContact O-N 3.01Å; L217-T221 PolarHBondContact O-OG1 3.32Å; T221-W223 VanDerWaalsContact C-N 3.32Å; T221-W223 PolarHBondContact O-N 3.09Å; T221-S224 WeakPolarHBondContact O-CA 3.48Å; T221-S224 WeakPolarHBondContact O-CB 3.39Å; T221-S224 PolarHBondContact O-N 3.06Å; T221-S224 PolarHBondContact O-OG 3.35Å; T221-T225 PolarHBondContact O-N 3.39Å; T221-T225 PolarHBondContact O-OG1 2.9Å; T221-E516 WeakPolarHBondContact CG2-OE1 3.05Å; T221-E516 PolarHBondContact OG1-OE1 3.43Å
222W84.2Confident79.1Confident101 Ų10157.6 Ų57.638%0.38329%0.286SS..Hα-helixtrans-63.9-32.9175.2-162.7-69.2000113.5F218 S220 T225 T227 L229F218-W222 HydrophobicContact CE1-CE3 4.17Å; F218-W222 HydrophobicContact CE2-CE3 4.09Å; F218-W222 HydrophobicContact CE2-CZ3 4.35Å; F218-W222 AromaticContact CZ-CE3 3.61Å; F218-W222 HydrophobicContact CZ-CE3 3.61Å; F218-W222 AromaticContact CZ-CZ3 3.8Å; F218-W222 HydrophobicContact CZ-CZ3 3.8Å; F218-W222 VanDerWaalsContact O-CB 3.25Å; F218-W222 WeakPolarHBondContact O-CB 3.45Å; F218-W222 PolarHBondContact O-N 3.44Å; S220-W222 PolarHBondContact O-N 3.12Å; W222-T225 WeakPolarHBondContact CA-OG1 3.43Å; W222-T225 PolarHBondContact O-OG1 2.79Å; W222-T227 VanDerWaalsContact CD1-O 3.3Å; W222-T227 PolarHBondContact NE1-O 2.96Å; W222-T227 PolarHBondContact NE1-OG1 2.92Å; W222-T227 PolarHBondContact O-OG1 3.26Å; W222-L229 HydrophobicContact CD2-CD1 4.14Å; W222-L229 HydrophobicContact CG-CD1 4.06Å
223W81.3Confident78.3Confident120 Ų12060.5 Ų60.546%0.45530%0.303SS..Hα-helixtrans-70.6-33.7172.2179.196.6000111.6I219 S220 T221 R572I219-W223 VanDerWaalsContact O-CB 3.27Å; I219-W223 WeakPolarHBondContact O-CB 3.49Å; I219-W223 PolarHBondContact O-N 2.86Å; S220-W223 WeakPolarHBondContact O-CB 3.43Å; S220-W223 PolarHBondContact O-N 3.47Å; T221-W223 VanDerWaalsContact C-N 3.32Å; T221-W223 PolarHBondContact O-N 3.09Å; W223-R572 HydrophobicContact CZ3-CB 4.32Å; W223-R572 VanDerWaalsContact CZ3-CD 3.45Å; W223-R572 PolarHBondContact O-NH1 3.5Å
224S81.1Confident77.6Confident0 Ų062.2 Ų62.20%031%0.31CS..Hα-helixtrans-72.4-31.2176.682.90000113.4S220 T221 Y226 R572S220-S224 PolarHBondContact O-N 3.25Å; T221-S224 WeakPolarHBondContact O-CA 3.48Å; T221-S224 WeakPolarHBondContact O-CB 3.39Å; T221-S224 PolarHBondContact O-N 3.06Å; T221-S224 PolarHBondContact O-OG 3.35Å; S224-Y226 PolarHBondContact O-N 2.82Å; S224-Y226 VanDerWaalsContact O-N 3.12Å; S224-R572 VanDerWaalsContact O-CA 3.29Å; S224-R572 WeakPolarHBondContact O-CA 3.38Å
225T82.1Confident77.1Confident49 Ų4959.4 Ų59.430%0.30130%0.295SS..THydrogen-bonded Turntrans-72.80.2178.648.60000114.5T221 W222 T227T221-T225 PolarHBondContact O-N 3.39Å; T221-T225 PolarHBondContact O-OG1 2.9Å; W222-T225 WeakPolarHBondContact CA-OG1 3.43Å; W222-T225 PolarHBondContact O-OG1 2.79Å; T225-T227 PolarHBondContact O-N 3.13Å; T225-T227 PolarHBondContact OG1-OG1 3.46Å
226Y75.1Confident76.8Confident68 Ų6864.5 Ų64.527%0.26732%0.316SS..THydrogen-bonded Turntrans62.425.5179.1-161.2-105.1000113.6S224 R572 R576 F579S224-Y226 PolarHBondContact O-N 2.82Å; S224-Y226 VanDerWaalsContact O-N 3.12Å; Y226-R572 HydrophobicContact CD2-CG 4.44Å; Y226-R576 HydrophobicContact CD2-CB 4Å; Y226-R576 HydrophobicContact CD2-CG 4.46Å; Y226-R576 HydrophobicContact CE2-CB 3.91Å; Y226-R576 HydrophobicContact CE2-CG 3.86Å; Y226-F579 HydrophobicContact CD1-CB 4.33Å; Y226-F579 HydrophobicContact CD1-CD1 4.41Å; Y226-F579 HydrophobicContact CD1-CG 4.22Å; Y226-F579 HydrophobicContact CE1-CB 4.26Å; Y226-F579 AromaticContact CE1-CD1 3.61Å; Y226-F579 HydrophobicContact CE1-CD1 3.61Å; Y226-F579 HydrophobicContact CE1-CD2 4.48Å; Y226-F579 HydrophobicContact CE1-CE1 4.02Å; Y226-F579 AromaticContact CE1-CG 3.86Å; Y226-F579 HydrophobicContact CE1-CG 3.86Å
227T70.2Confident76.6Confident62 Ų6266 Ų6638%0.3832%0.324SS..  trans-102134.4-177.537.60000112.4W222 T225W222-T227 VanDerWaalsContact CD1-O 3.3Å; W222-T227 PolarHBondContact NE1-O 2.96Å; W222-T227 PolarHBondContact NE1-OG1 2.92Å; W222-T227 PolarHBondContact O-OG1 3.26Å; T225-T227 PolarHBondContact O-N 3.13Å; T225-T227 PolarHBondContact OG1-OG1 3.46Å
228P60.8Low76.5Confident83 Ų8365.4 Ų65.454%0.53932%0.321SS..  trans-73.4129.2-175.630.4-36.6000112.4R230P228-R230 PolarHBondContact O-N 3.44Å
229L63.5Low76.5Confident55 Ų5566 Ų6629%0.28832%0.323SS..  trans-83.9111.8172.6-155.878.9000109.5W222 H231 Y234W222-L229 HydrophobicContact CD2-CD1 4.14Å; W222-L229 HydrophobicContact CG-CD1 4.06Å; L229-H231 PolarHBondContact O-N 2.97Å; L229-Y234 HydrophobicContact CD2-CD2 3.81Å; L229-Y234 HydrophobicContact CD2-CG 3.95Å
230R65.7Low76.7Confident195 Ų19570 Ų7074%0.73634%0.34SS*.  trans-59.7134.3-179.9-77.9-177170.5-172.9-3.2110.8P228 G232 V233 Y234P228-R230 PolarHBondContact O-N 3.44Å; R230-G232 PolarHBondContact O-N 3.48Å; R230-G232 VanDerWaalsContact O-N 3.14Å; R230-V233 HydrophobicContact CB-CB 4.38Å; R230-V233 HydrophobicContact CB-CG2 4.07Å; R230-V233 PolarHBondContact O-N 3.08Å; R230-Y234 PolarHBondContact O-N 2.92Å
231H63.9Low77Confident111 Ų11170.4 Ų70.451%0.51434%0.341SS..Hα-helixtrans-54.7-34.4178.1-82.3-78.6000113.7L229 N235 H348L229-H231 PolarHBondContact O-N 2.97Å; H231-N235 VanDerWaalsContact O-CB 3.29Å; H231-N235 WeakPolarHBondContact O-CB 3.25Å; H231-N235 VanDerWaalsContact O-CG 3.3Å; H231-N235 PolarHBondContact O-N 2.85Å; H231-N235 PolarHBondContact O-ND2 3.44Å; H231-H348 AromaticContact CD2-CD2 3.81Å; H231-H348 AromaticContact NE2-CD2 3.91Å
232G69.1Low77.1Confident46 Ų4669.7 Ų69.747%0.47434%0.336SS..Hα-helixtrans-61-50.2172.900000112.7R230 N235 Q236R230-G232 PolarHBondContact O-N 3.48Å; R230-G232 VanDerWaalsContact O-N 3.14Å; G232-N235 CarbonylContact O-C 3.33Å; G232-N235 PolarHBondContact O-N 3.28Å; G232-Q236 WeakPolarHBondContact O-CG 3.44Å; G232-Q236 PolarHBondContact O-N 2.8Å
233V74.5Confident77.3Confident60 Ų6071.7 Ų71.736%0.36435%0.347SS..Hα-helixtrans-63.9-42.7177.9179.50000110.9R230 N235 Q236 I237R230-V233 HydrophobicContact CB-CB 4.38Å; R230-V233 HydrophobicContact CB-CG2 4.07Å; R230-V233 PolarHBondContact O-N 3.08Å; V233-N235 VanDerWaalsContact C-N 3.34Å; V233-N235 PolarHBondContact O-N 2.91Å; V233-Q236 WeakPolarHBondContact O-CB 3.27Å; V233-Q236 PolarHBondContact O-N 3.29Å; V233-Q236 VanDerWaalsContact O-N 3.12Å; V233-I237 HydrophobicContact CG1-CD1 4.04Å; V233-I237 WeakPolarHBondContact O-CG1 3.34Å; V233-I237 PolarHBondContact O-N 3.48Å
234Y74.3Confident77.8Confident41 Ų4167.6 Ų67.616%0.16133%0.332CS..Hα-helixtrans-65.3-36.4176.5-170.7-145.9000112.4N190 L229 R230 I237 K238N190-Y234 WeakPolarHBondContact OD1-CE1 3.32Å; N190-Y234 PolarHBondContact OD1-OH 3.32Å; L229-Y234 HydrophobicContact CD2-CD2 3.81Å; L229-Y234 HydrophobicContact CD2-CG 3.95Å; R230-Y234 PolarHBondContact O-N 2.92Å; Y234-I237 PolarHBondContact O-N 3.4Å; Y234-K238 VanDerWaalsContact CE1-CE 3.45Å; Y234-K238 HydrophobicContact CE2-CG 4.43Å; Y234-K238 WeakPolarHBondContact O-CB 3.41Å; Y234-K238 WeakPolarHBondContact O-CG 3.25Å; Y234-K238 PolarHBondContact O-N 3.04Å; Y234-K238 WeakPolarHBondContact OH-CE 3.28Å
235N76.5Confident78.1Confident35 Ų3567.6 Ų67.619%0.18733%0.332CS..Hα-helixtrans-72.1-26.5172.4-76.1-29.7000112.8H231 G232 V233 K239 T330H231-N235 VanDerWaalsContact O-CB 3.29Å; H231-N235 WeakPolarHBondContact O-CB 3.25Å; H231-N235 VanDerWaalsContact O-CG 3.3Å; H231-N235 PolarHBondContact O-N 2.85Å; H231-N235 PolarHBondContact O-ND2 3.44Å; G232-N235 CarbonylContact O-C 3.33Å; G232-N235 PolarHBondContact O-N 3.28Å; V233-N235 VanDerWaalsContact C-N 3.34Å; V233-N235 PolarHBondContact O-N 2.91Å; N235-K239 WeakPolarHBondContact O-CG 3.38Å; N235-K239 PolarHBondContact O-N 3.1Å; N235-T330 PolarHBondContact OD1-OG1 3.33Å
236Q81.6Confident78.3Confident128 Ų12866.3 Ų66.360%0.59833%0.326SS*.Hα-helixtrans-69.4-46.8169.3-75.4169.4-39.400111.2G232 V233 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.44Å; G232-Q236 PolarHBondContact O-N 2.8Å; V233-Q236 WeakPolarHBondContact O-CB 3.27Å; V233-Q236 PolarHBondContact O-N 3.29Å; V233-Q236 VanDerWaalsContact O-N 3.12Å; Q236-K238 VanDerWaalsContact C-N 3.33Å; Q236-K238 PolarHBondContact O-N 3.27Å; Q236-K239 WeakPolarHBondContact O-CB 3.47Å; Q236-K239 PolarHBondContact O-N 2.62Å; Q236-K239 VanDerWaalsContact O-N 3.12Å; Q236-F240 PolarHBondContact O-N 2.91Å
237I82.5Confident79Confident36 Ų3667 Ų6719%0.18533%0.334CS..Hα-helixtrans-58.6-45.3173.7-66.6165.5000110.1V233 Y234 K239 F240 L241V233-I237 HydrophobicContact CG1-CD1 4.04Å; V233-I237 WeakPolarHBondContact O-CG1 3.34Å; V233-I237 PolarHBondContact O-N 3.48Å; Y234-I237 PolarHBondContact O-N 3.4Å; I237-K239 PolarHBondContact O-N 3.38Å; I237-F240 PolarHBondContact O-N 2.78Å; I237-L241 HydrophobicContact CG2-CD1 3.72Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.29Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.18Å; I237-L241 PolarHBondContact O-N 3.43Å
238K84.5Confident79.9Confident2 Ų264.4 Ų64.41%0.00932%0.318CS..Hα-helixtrans-59.6-42.7172.7-75.2179.7-179-178.10112.6N190 L193 Y234 Q236 L241 I242N190-K238 PolarHBondContact OD1-NZ 3.32Å; L193-K238 HydrophobicContact CD2-CD 4.37Å; L193-K238 VanDerWaalsContact CD2-CE 3.5Å; L193-K238 HydrophobicContact CD2-CG 4.5Å; Y234-K238 VanDerWaalsContact CE1-CE 3.45Å; Y234-K238 HydrophobicContact CE2-CG 4.43Å; Y234-K238 WeakPolarHBondContact O-CB 3.41Å; Y234-K238 WeakPolarHBondContact O-CG 3.25Å; Y234-K238 PolarHBondContact O-N 3.04Å; Y234-K238 WeakPolarHBondContact OH-CE 3.28Å; Q236-K238 VanDerWaalsContact C-N 3.33Å; Q236-K238 PolarHBondContact O-N 3.27Å; K238-L241 PolarHBondContact O-N 3.45Å; K238-I242 WeakPolarHBondContact O-CB 3.26Å; K238-I242 WeakPolarHBondContact O-CD1 3.38Å; K238-I242 WeakPolarHBondContact O-CG1 3.33Å; K238-I242 PolarHBondContact O-N 3.4Å
239K84.7Confident81.2Confident123 Ų12361.4 Ų61.454%0.53530%0.296SS..Hα-helixtrans-59.7-46.1174.3-87.5-174.7173.1-172.40112.1N235 Q236 I237 I242 F243 Y327N235-K239 WeakPolarHBondContact O-CG 3.38Å; N235-K239 PolarHBondContact O-N 3.1Å; Q236-K239 WeakPolarHBondContact O-CB 3.47Å; Q236-K239 PolarHBondContact O-N 2.62Å; Q236-K239 VanDerWaalsContact O-N 3.12Å; I237-K239 PolarHBondContact O-N 3.38Å; K239-I242 PolarHBondContact O-N 2.91Å; K239-F243 PolarHBondContact O-N 3.08Å; K239-Y327 VanDerWaalsContact CE-OH 3.29Å; K239-Y327 WeakPolarHBondContact CE-OH 3.12Å; K239-Y327 HydrophobicContact CG-CE2 4.28Å
240F88.9Confident82.3Confident113 Ų11360.8 Ų60.850%0.49629%0.293SS..Hα-helixtrans-60.5-47.7177.5175.2-99.9000111.1I211 Q236 I237 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 4.03Å; I211-F240 HydrophobicContact CG2-CZ 4.5Å; Q236-F240 PolarHBondContact O-N 2.91Å; I237-F240 PolarHBondContact O-N 2.78Å; F240-I242 PolarHBondContact O-N 3.49Å; F240-F243 PolarHBondContact O-N 2.84Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.33Å; F240-Y244 PolarHBondContact O-N 3.18Å
241L87.5Confident83.3Confident9 Ų954.6 Ų54.65%0.04728%0.277CS..Hα-helixtrans-65.2-34.3178.1-69.4167.1000113.3Y212 I237 K238 S245 F319Y212-L241 HydrophobicContact CD1-CD2 3.94Å; Y212-L241 HydrophobicContact CE1-CD2 4.23Å; I237-L241 HydrophobicContact CG2-CD1 3.72Å; I237-L241 HydrophobicContact CG2-CG 4.4Å; I237-L241 WeakPolarHBondContact O-CB 3.29Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.18Å; I237-L241 PolarHBondContact O-N 3.43Å; K238-L241 PolarHBondContact O-N 3.45Å; L241-S245 VanDerWaalsContact O-CB 3.3Å; L241-S245 WeakPolarHBondContact O-CB 3.25Å; L241-S245 PolarHBondContact O-N 2.99Å; L241-S245 PolarHBondContact O-OG 3.4Å; L241-F319 HydrophobicContact CB-CE1 4.01Å; L241-F319 HydrophobicContact CB-CZ 3.99Å; L241-F319 HydrophobicContact CD1-CZ 4.23Å; L241-F319 HydrophobicContact CD2-CZ 4.2Å; L241-F319 HydrophobicContact CG-CZ 4.37Å
242I87.1Confident84.4Confident26 Ų2649.9 Ų49.913%0.13326%0.255CS..Hα-helixtrans-66.2-44.9172.8-71.8163000110.9K238 K239 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.26Å; K238-I242 WeakPolarHBondContact O-CD1 3.38Å; K238-I242 WeakPolarHBondContact O-CG1 3.33Å; K238-I242 PolarHBondContact O-N 3.4Å; K239-I242 PolarHBondContact O-N 2.91Å; F240-I242 PolarHBondContact O-N 3.49Å; I242-S245 PolarHBondContact O-OG 3.16Å; I242-A246 WeakPolarHBondContact O-CB 3.15Å; I242-A246 PolarHBondContact O-N 2.95Å; I242-A246 VanDerWaalsContact O-N 3.15Å; I242-F320 HydrophobicContact CG2-CD2 4.25Å; I242-F320 HydrophobicContact CG2-CE2 3.91Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.1Å; I242-V324 HydrophobicContact CD1-CG2 4.11Å; I242-V324 HydrophobicContact CG1-CG2 4.03Å; I242-V324 HydrophobicContact CG2-CG2 3.77Å; I242-Y327 HydrophobicContact CD1-CD1 4.25Å; I242-Y327 HydrophobicContact CD1-CG 4.09Å
243F88.8Confident85.2Confident143 Ų14348.5 Ų48.563%0.62724%0.236SC*.Hα-helixtrans-65.9-45.7176.8179-100.6000111.5K239 F240 A246 L247K239-F243 PolarHBondContact O-N 3.08Å; F240-F243 PolarHBondContact O-N 2.84Å; F243-A246 PolarHBondContact O-N 2.7Å; F243-L247 WeakPolarHBondContact O-CB 3.39Å; F243-L247 PolarHBondContact O-N 3.05Å
244Y90.9Very high85.7Confident35 Ų3547.5 Ų47.514%0.13723%0.23CC..Hα-helixtrans-66.3-40.9-179.6-172.8-106.1000112.6S208 I211 Y212 F240 L247 H248S208-Y244 VanDerWaalsContact CA-OH 3.3Å; S208-Y244 WeakPolarHBondContact CA-OH 3.47Å; S208-Y244 WeakPolarHBondContact CB-OH 3.34Å; S208-Y244 PolarHBondContact O-OH 3.44Å; I211-Y244 HydrophobicContact CB-CE1 4.09Å; I211-Y244 HydrophobicContact CD1-CE1 4.19Å; I211-Y244 HydrophobicContact CD1-CE2 3.89Å; I211-Y244 HydrophobicContact CG2-CD1 4.08Å; I211-Y244 HydrophobicContact CG2-CE1 4.08Å; Y212-Y244 AromaticContact CE1-CD1 3.78Å; Y212-Y244 HydrophobicContact CE1-CD1 3.78Å; Y212-Y244 HydrophobicContact CE1-CE1 4.19Å; Y212-Y244 HydrophobicContact CE2-CD1 4.49Å; Y212-Y244 HydrophobicContact CE2-CE1 4.1Å; Y212-Y244 AromaticContact CZ-CD1 3.67Å; Y212-Y244 AromaticContact CZ-CE1 3.7Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.49Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.33Å; F240-Y244 PolarHBondContact O-N 3.18Å; Y244-L247 PolarHBondContact O-N 2.93Å; Y244-H248 HydrophobicContact CE1-CB 4.49Å; Y244-H248 WeakPolarHBondContact O-CB 3.11Å; Y244-H248 PolarHBondContact O-N 2.94Å
245S88.4Confident86.3Confident0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-67.3-36.6174.852.20000113.2L241 I242 F249L241-S245 VanDerWaalsContact O-CB 3.3Å; L241-S245 WeakPolarHBondContact O-CB 3.25Å; L241-S245 PolarHBondContact O-N 2.99Å; L241-S245 PolarHBondContact O-OG 3.4Å; I242-S245 PolarHBondContact O-OG 3.16Å; S245-F249 WeakPolarHBondContact O-CB 3.28Å; S245-F249 PolarHBondContact O-N 3.27Å
246A86.9Confident86.6Confident21 Ų2144.9 Ų44.917%0.17422%0.218CC..Hα-helixtrans-64-43.217200000112.1I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.15Å; I242-A246 PolarHBondContact O-N 2.95Å; I242-A246 VanDerWaalsContact O-N 3.15Å; F243-A246 PolarHBondContact O-N 2.7Å; A246-L250 WeakPolarHBondContact O-CB 3.46Å; A246-L250 PolarHBondContact O-N 2.81Å; A246-F320 HydrophobicContact CB-CD2 4.15Å; A246-F320 HydrophobicContact CB-CE2 3.92Å
247L88.6Confident86.7Confident82 Ų8238.8 Ų38.843%0.42919%0.189SC..Hα-helixtrans-63.9-47.3175.5-174.772000111.6F243 Y244 F249 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.39Å; F243-L247 PolarHBondContact O-N 3.05Å; Y244-L247 PolarHBondContact O-N 2.93Å; L247-F249 PolarHBondContact O-N 2.94Å; L247-L250 WeakPolarHBondContact O-CB 3.44Å; L247-L250 PolarHBondContact O-N 3.15Å; L247-V251 WeakPolarHBondContact O-CG2 3.29Å; L247-V251 PolarHBondContact O-N 3.3Å
248H89.6Confident86.3Confident8 Ų837.9 Ų37.94%0.03719%0.186CC..Hα-helixtrans-63.1-42-179.1-173.8-161.9000111.5S208 N209 Y212 Y244 V251 L252 V316S208-H248 WeakPolarHBondContact CB-NE2 3.42Å; S208-H248 PolarHBondContact OG-CE1 3.29Å; S208-H248 PolarHBondContact OG-NE2 3.17Å; N209-H248 PolarHBondContact OD1-CE1 3.31Å; Y212-H248 AromaticContact CE2-ND1 3.73Å; Y212-H248 AromaticContact CZ-ND1 3.95Å; Y212-H248 PolarHBondContact OH-ND1 3.43Å; Y244-H248 HydrophobicContact CE1-CB 4.49Å; Y244-H248 WeakPolarHBondContact O-CB 3.11Å; Y244-H248 PolarHBondContact O-N 2.94Å; H248-V251 PolarHBondContact O-N 3.21Å; H248-L252 WeakPolarHBondContact O-CB 3.43Å; H248-L252 WeakPolarHBondContact O-CG 3.38Å; H248-L252 PolarHBondContact O-N 3.05Å; H248-V316 HydrophobicContact CB-CG1 4.47Å
249F88.2Confident85.9Confident20 Ų2039.8 Ų39.89%0.08820%0.196CC..Hα-helixtrans-63.3-41.6172.7-171.2-93.6000112.1L21 V36 S245 L247 V251 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.22Å; L21-F249 HydrophobicContact CD2-CZ 4.23Å; V36-F249 HydrophobicContact CG1-CD1 4.11Å; V36-F249 HydrophobicContact CG1-CE1 3.88Å; S245-F249 WeakPolarHBondContact O-CB 3.28Å; S245-F249 PolarHBondContact O-N 3.27Å; L247-F249 PolarHBondContact O-N 2.94Å; F249-V251 PolarHBondContact O-N 3.41Å; F249-L252 PolarHBondContact O-N 3.06Å; F249-Y253 VanDerWaalsContact O-CB 3.25Å; F249-Y253 WeakPolarHBondContact O-CB 3.18Å; F249-Y253 PolarHBondContact O-N 3.37Å; F249-V316 HydrophobicContact CB-CG1 4.32Å; F249-L317 HydrophobicContact CD2-CB 4.16Å; F249-L317 HydrophobicContact CD2-CD1 4.21Å; F249-L317 HydrophobicContact CE1-CD1 4.35Å; F249-L317 HydrophobicContact CE2-CB 4Å; F249-L317 HydrophobicContact CE2-CD1 3.94Å; F249-L317 HydrophobicContact CE2-CG 4.38Å; F249-L317 HydrophobicContact CZ-CD1 4.02Å
250L87.2Confident85.7Confident42 Ų4234.2 Ų34.222%0.2217%0.172CC..Hα-helixtrans-60.6-42174.7-101.4163.9000112.7I33 L37 A246 L247 T254I33-L250 HydrophobicContact CG2-CD2 4.11Å; L37-L250 HydrophobicContact CD2-CD1 4.34Å; A246-L250 WeakPolarHBondContact O-CB 3.46Å; A246-L250 PolarHBondContact O-N 2.81Å; L247-L250 WeakPolarHBondContact O-CB 3.44Å; L247-L250 PolarHBondContact O-N 3.15Å; L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 2.99Å; L250-T254 PolarHBondContact O-OG1 3Å
251V86.7Confident85.2Confident66 Ų6629.4 Ų29.440%0.415%0.151SC..Hα-helixtrans-67.1-47.8177173.40000110.9L247 H248 F249 Y253 T254 Y255 L277L247-V251 WeakPolarHBondContact O-CG2 3.29Å; L247-V251 PolarHBondContact O-N 3.3Å; H248-V251 PolarHBondContact O-N 3.21Å; F249-V251 PolarHBondContact O-N 3.41Å; V251-Y253 VanDerWaalsContact C-N 3.28Å; V251-Y253 PolarHBondContact O-N 3.47Å; V251-T254 PolarHBondContact O-N 2.89Å; V251-Y255 PolarHBondContact O-N 2.98Å; V251-L277 HydrophobicContact CG1-CD1 4.4Å; V251-L277 HydrophobicContact CG1-CD2 3.83Å
252L85Confident84.5Confident11 Ų1135.2 Ų35.26%0.05818%0.178CC..Hα-helixtrans-57.9-39.8176.4-74.6170.1000112.2H248 F249 Q256 L277 P313H248-L252 WeakPolarHBondContact O-CB 3.43Å; H248-L252 WeakPolarHBondContact O-CG 3.38Å; H248-L252 PolarHBondContact O-N 3.05Å; F249-L252 PolarHBondContact O-N 3.06Å; L252-Q256 WeakPolarHBondContact O-CG 3.39Å; L252-Q256 PolarHBondContact O-NE2 3.21Å; L252-L277 HydrophobicContact CD2-CD2 4.1Å; L252-P313 HydrophobicContact CD1-CB 4.44Å
253Y86.6Confident84Confident18 Ų1837.7 Ų37.77%0.07120%0.198CC..Hα-helixtrans-70.3-45.4176.9-171.5-93.4000112.4A24 S32 I33 V36 F249 V251 Y255 Q256A24-Y253 HydrophobicContact CB-CE2 4.14Å; A24-Y253 WeakPolarHBondContact CB-OH 3.32Å; A24-Y253 PolarHBondContact O-OH 2.96Å; S32-Y253 VanDerWaalsContact CB-OH 3.25Å; S32-Y253 WeakPolarHBondContact CB-OH 3.5Å; S32-Y253 PolarHBondContact OG-OH 3.3Å; I33-Y253 HydrophobicContact CG1-CE1 4.3Å; V36-Y253 HydrophobicContact CG2-CD1 4.15Å; V36-Y253 HydrophobicContact CG2-CD2 4.18Å; V36-Y253 HydrophobicContact CG2-CE1 3.92Å; V36-Y253 HydrophobicContact CG2-CE2 3.95Å; V36-Y253 HydrophobicContact CG2-CG 4.29Å; F249-Y253 VanDerWaalsContact O-CB 3.25Å; F249-Y253 WeakPolarHBondContact O-CB 3.18Å; F249-Y253 PolarHBondContact O-N 3.37Å; V251-Y253 VanDerWaalsContact C-N 3.28Å; V251-Y253 PolarHBondContact O-N 3.47Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 3.17Å; Y253-Q256 WeakPolarHBondContact O-CB 3.22Å; Y253-Q256 PolarHBondContact O-N 3.12Å
254T85.7Confident83.6Confident38 Ų3838.4 Ų38.423%0.23320%0.196CC..Hα-helixtrans-62.7-34.1-179.7-56.80000111.5L250 V251 Q256 I257 V260L250-T254 VanDerWaalsContact O-CB 3.29Å; L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 2.99Å; L250-T254 PolarHBondContact O-OG1 3Å; V251-T254 PolarHBondContact O-N 2.89Å; T254-Q256 PolarHBondContact O-N 3.02Å; T254-I257 HydrophobicContact CG2-CD1 4.48Å; T254-I257 WeakPolarHBondContact O-CB 3.49Å; T254-I257 PolarHBondContact O-N 2.65Å; T254-I257 VanDerWaalsContact O-N 3.13Å; T254-V260 HydrophobicContact CG2-CG2 4.16Å; T254-V260 WeakPolarHBondContact O-CB 3.15Å; T254-V260 WeakPolarHBondContact O-CG2 3.5Å
255Y86.1Confident82.9Confident4 Ų439.3 Ų39.32%0.01620%0.203CC..THydrogen-bonded Turntrans-64.1-22.9175-165.2-111.3000113.9V251 Y253 I257 V260 H261 L265 P272 L277 V279V251-Y255 PolarHBondContact O-N 2.98Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 3.17Å; Y255-I257 VanDerWaalsContact C-N 3.27Å; Y255-I257 PolarHBondContact O-N 2.87Å; Y255-V260 HydrophobicContact CD2-CG1 4.25Å; Y255-H261 HydrophobicContact CD2-CB 4.32Å; Y255-H261 HydrophobicContact CE1-CB 4.15Å; Y255-H261 HydrophobicContact CE2-CB 3.8Å; Y255-H261 PolarHBondContact O-ND1 2.89Å; Y255-L265 HydrophobicContact CE2-CB 3.9Å; Y255-L265 WeakPolarHBondContact CE2-O 3.36Å; Y255-L265 PolarHBondContact OH-O 3.23Å; Y255-P272 HydrophobicContact CE2-CB 4.32Å; Y255-L277 HydrophobicContact CD1-CB 3.84Å; Y255-L277 HydrophobicContact CD2-CB 4.3Å; Y255-L277 HydrophobicContact CD2-CD1 4.15Å; Y255-L277 HydrophobicContact CE1-CB 3.97Å; Y255-L277 HydrophobicContact CE2-CB 4.44Å; Y255-L277 HydrophobicContact CG-CB 4.02Å; Y255-L277 HydrophobicContact CG-CD1 4.42Å; Y255-V279 HydrophobicContact CD1-CG2 4.4Å; Y255-V279 HydrophobicContact CE1-CG2 3.73Å
256Q83.7Confident82.2Confident17 Ų1742.8 Ų42.88%0.07923%0.226CC..THydrogen-bonded Turntrans-77.9-9.5175.9-46.8-49.5-46.300113.3P28 L252 Y253 T254 T278P28-Q256 HydrophobicContact CB-CB 4.3Å; L252-Q256 WeakPolarHBondContact O-CG 3.39Å; L252-Q256 PolarHBondContact O-NE2 3.21Å; Y253-Q256 WeakPolarHBondContact O-CB 3.22Å; Y253-Q256 PolarHBondContact O-N 3.12Å; T254-Q256 PolarHBondContact O-N 3.02Å; Q256-T278 PolarHBondContact NE2-O 3.4Å
257I82.4Confident81.2Confident0 Ų046.2 Ų46.20%025%0.245CC..SBendtrans-74.5126.7177.6-57.4177.8000108.3F30 I33 T254 Y255 I259 V260F30-I257 HydrophobicContact CD1-CD1 4.21Å; F30-I257 HydrophobicContact CE1-CD1 4.28Å; F30-I257 HydrophobicContact CE2-CG2 4.37Å; F30-I257 HydrophobicContact CZ-CG2 4.48Å; I33-I257 HydrophobicContact CD1-CD1 3.9Å; I33-I257 HydrophobicContact CG1-CD1 4.29Å; T254-I257 HydrophobicContact CG2-CD1 4.48Å; T254-I257 WeakPolarHBondContact O-CB 3.49Å; T254-I257 PolarHBondContact O-N 2.65Å; T254-I257 VanDerWaalsContact O-N 3.13Å; Y255-I257 VanDerWaalsContact C-N 3.27Å; Y255-I257 PolarHBondContact O-N 2.87Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 4.11Å; I257-I259 PolarHBondContact O-N 3.07Å; I257-V260 HydrophobicContact CB-CG2 4.03Å; I257-V260 WeakPolarHBondContact O-CB 3.19Å; I257-V260 PolarHBondContact O-N 2.9Å
258P74.2Confident80.1Confident18 Ų1845 Ų4512%0.11725%0.252CS..Hα-helixtrans-55-33.8-170.6-31.637.1000115.8V260 H262 S283P258-V260 VanDerWaalsContact C-N 3.25Å; P258-V260 PolarHBondContact O-N 2.98Å; P258-H262 WeakPolarHBondContact O-CB 3.49Å; P258-H262 PolarHBondContact O-N 3.46Å; P258-S283 WeakPolarHBondContact CG-OG 3.14Å
259I77.7Confident79.3Confident41 Ų4146.5 Ų46.521%0.2126%0.263CS..Hα-helixtrans-67.5-27.9178-156.2166.1000112.2F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 3.85Å; F30-I259 HydrophobicContact CZ-CG2 3.8Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 4.11Å; I257-I259 PolarHBondContact O-N 3.07Å; I259-S263 PolarHBondContact O-N 3.09Å; I259-S263 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 2.66Å; I259-W264 HydrophobicContact CG2-CZ2 4.47Å; I259-W264 PolarHBondContact O-N 2.86Å
260V78.7Confident78.7Confident7 Ų750.3 Ų50.34%0.04228%0.28CS..Iπ-helixtrans-77.1-55.8-172.5-178.50000111.1T254 Y255 I257 P258 H262 W264 L265T254-V260 HydrophobicContact CG2-CG2 4.16Å; T254-V260 WeakPolarHBondContact O-CB 3.15Å; T254-V260 WeakPolarHBondContact O-CG2 3.5Å; Y255-V260 HydrophobicContact CD2-CG1 4.25Å; I257-V260 HydrophobicContact CB-CG2 4.03Å; I257-V260 WeakPolarHBondContact O-CB 3.19Å; I257-V260 PolarHBondContact O-N 2.9Å; P258-V260 VanDerWaalsContact C-N 3.25Å; P258-V260 PolarHBondContact O-N 2.98Å; V260-H262 VanDerWaalsContact C-N 3.32Å; V260-H262 PolarHBondContact O-N 2.84Å; V260-W264 HydrophobicContact CB-CE3 4.48Å; V260-W264 HydrophobicContact CG1-CE3 4.36Å; V260-W264 HydrophobicContact CG2-CD2 4.49Å; V260-W264 HydrophobicContact CG2-CE3 3.88Å; V260-W264 HydrophobicContact CG2-CZ3 4.09Å; V260-W264 CarbonylContact O-C 3.56Å; V260-W264 WeakPolarHBondContact O-CA 3.33Å; V260-W264 WeakPolarHBondContact O-CB 3.26Å; V260-W264 PolarHBondContact O-N 3.21Å; V260-W264 VanDerWaalsContact O-N 3.08Å; V260-L265 PolarHBondContact O-N 2.83Å
261H78.5Confident78.4Confident11 Ų1152.5 Ų52.55%0.05129%0.291CS..Iπ-helixtrans-74.4-21.5179.258-110.5000113.6Y255 P266 V279Y255-H261 HydrophobicContact CD2-CB 4.32Å; Y255-H261 HydrophobicContact CE1-CB 4.15Å; Y255-H261 HydrophobicContact CE2-CB 3.8Å; Y255-H261 PolarHBondContact O-ND1 2.89Å; H261-P266 WeakPolarHBondContact O-CA 3.31Å; H261-V279 HydrophobicContact CB-CG2 3.87Å
262H73.6Confident77.9Confident131 Ų13149.4 Ų49.461%0.60627%0.273SS*.Iπ-helixtrans-99.8-17.4-173.6-145.2-43000114.3P258 V260P258-H262 WeakPolarHBondContact O-CB 3.49Å; P258-H262 PolarHBondContact O-N 3.46Å; V260-H262 VanDerWaalsContact C-N 3.32Å; V260-H262 PolarHBondContact O-N 2.84Å
263S76.3Confident77.3Confident79 Ų7952 Ų5255%0.55228%0.282SS*.Iπ-helixtrans-137.3-16.6174.276.50000116.7I259I259-S263 PolarHBondContact O-N 3.09Å; I259-S263 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 2.66Å
264W81.2Confident77.1Confident157 Ų15752.9 Ų52.960%0.59529%0.287SS*.Iπ-helixtrans-101.7-39.4177.9-60.6-2000113.5F30 I259 V260F30-W264 HydrophobicContact CZ-CH2 4.07Å; I259-W264 HydrophobicContact CG2-CZ2 4.47Å; I259-W264 PolarHBondContact O-N 2.86Å; V260-W264 HydrophobicContact CB-CE3 4.48Å; V260-W264 HydrophobicContact CG1-CE3 4.36Å; V260-W264 HydrophobicContact CG2-CD2 4.49Å; V260-W264 HydrophobicContact CG2-CE3 3.88Å; V260-W264 HydrophobicContact CG2-CZ3 4.09Å; V260-W264 CarbonylContact O-C 3.56Å; V260-W264 WeakPolarHBondContact O-CA 3.33Å; V260-W264 WeakPolarHBondContact O-CB 3.26Å; V260-W264 PolarHBondContact O-N 3.21Å; V260-W264 VanDerWaalsContact O-N 3.08Å
265L75.2Confident76.9Confident54 Ų5455.1 Ų55.128%0.28329%0.294SS..SBendtrans-140.678.7-173.9-79.3161.8000111.3Y255 V260 L271Y255-L265 HydrophobicContact CE2-CB 3.9Å; Y255-L265 WeakPolarHBondContact CE2-O 3.36Å; Y255-L265 PolarHBondContact OH-O 3.23Å; V260-L265 PolarHBondContact O-N 2.83Å; L265-L271 HydrophobicContact CD2-CB 4.22Å; L265-L271 HydrophobicContact CD2-CD1 4.18Å
266P73.5Confident76.3Confident74 Ų7455.2 Ų55.248%0.48130%0.296SS..  trans-57.9141.5-175.6-25.335.4000113.8H261 G268 S269 P272H261-P266 WeakPolarHBondContact O-CA 3.31Å; P266-G268 VanDerWaalsContact C-N 3.32Å; P266-G268 PolarHBondContact O-N 3.33Å; P266-S269 WeakPolarHBondContact O-CB 3.29Å; P266-S269 PolarHBondContact O-N 2.9Å; P266-S269 PolarHBondContact O-OG 3.37Å; P266-P272 WeakPolarHBondContact O-CG 3.42Å
267T66.1Low76.1Confident93 Ų9355.3 Ų55.357%0.57130%0.297SS*.THydrogen-bonded Turntrans-54.4-37.7-17448.90000114.9S269 V279T267-S269 VanDerWaalsContact C-N 3.31Å; T267-S269 PolarHBondContact O-N 3.01Å; T267-V279 HydrophobicContact CG2-CG2 3.92Å
268G65.6Low75.7Confident57 Ų5757.6 Ų57.659%0.58831%0.311SS*.THydrogen-bonded Turntrans-75.7-12.1178.800000115.5P266 R273P266-G268 VanDerWaalsContact C-N 3.32Å; P266-G268 PolarHBondContact O-N 3.33Å; G268-R273 PolarHBondContact O-NE 3.39Å; G268-R273 PolarHBondContact O-NH2 2.96Å
269S72.5Confident75.6Confident38 Ų3859 Ų5927%0.26632%0.319SS..SBendtrans-72.9154.1-173.466.60000113.2P266 T267 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.29Å; P266-S269 PolarHBondContact O-N 2.9Å; P266-S269 PolarHBondContact O-OG 3.37Å; T267-S269 VanDerWaalsContact C-N 3.31Å; T267-S269 PolarHBondContact O-N 3.01Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 3.47Å; S269-P272 VanDerWaalsContact O-CD 3.23Å; S269-P272 WeakPolarHBondContact O-CD 3.44Å; S269-P272 WeakPolarHBondContact O-CG 3.27Å; S269-P272 WeakPolarHBondContact OG-CD 3.26Å; S269-P272 WeakPolarHBondContact OG-CG 3.48Å
270F77Confident75.3Confident101 Ų10158.9 Ų58.944%0.44332%0.319SS..Hα-helixtrans-61.3-36.1-176.3173.4-108000113.5R273 L274 E532F270-R273 PolarHBondContact O-N 3.24Å; F270-L274 HydrophobicContact CE1-CB 4.47Å; F270-L274 HydrophobicContact CE1-CD2 3.75Å; F270-L274 HydrophobicContact CZ-CB 4.35Å; F270-L274 HydrophobicContact CZ-CD1 4.32Å; F270-L274 HydrophobicContact CZ-CD2 3.9Å; F270-L274 HydrophobicContact CZ-CG 4.42Å; F270-L274 WeakPolarHBondContact O-CB 3.46Å; F270-L274 PolarHBondContact O-N 3.36Å; F270-E532 HydrophobicContact CD2-CG 4.46Å
271L80.1Confident74.9Confident88 Ų8859.6 Ų59.646%0.46132%0.322SS..Hα-helixtrans-58.6-56.6-178.2-80.1166.1000113.9L265 S269 R273 L274 F275L265-L271 HydrophobicContact CD2-CB 4.22Å; L265-L271 HydrophobicContact CD2-CD1 4.18Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 3.47Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 3.21Å; L271-L274 PolarHBondContact O-N 3.17Å; L271-F275 HydrophobicContact CD2-CD2 4.25Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 WeakPolarHBondContact O-CD2 3.48Å; L271-F275 PolarHBondContact O-N 3.19Å
272P75.2Confident74.2Confident1 Ų161.4 Ų61.41%0.00633%0.332CS..Hα-helixtrans-61.9-36.8177.821.1-31.2000113Y255 P266 S269 G276 L277Y255-P272 HydrophobicContact CE2-CB 4.32Å; P266-P272 WeakPolarHBondContact O-CG 3.42Å; S269-P272 VanDerWaalsContact O-CD 3.23Å; S269-P272 WeakPolarHBondContact O-CD 3.44Å; S269-P272 WeakPolarHBondContact O-CG 3.27Å; S269-P272 WeakPolarHBondContact OG-CD 3.26Å; S269-P272 WeakPolarHBondContact OG-CG 3.48Å; P272-G276 CarbonylContact O-C 3.59Å; P272-G276 WeakPolarHBondContact O-CA 3.31Å; P272-G276 PolarHBondContact O-N 3.37Å; P272-L277 HydrophobicContact CB-CB 3.91Å; P272-L277 PolarHBondContact O-N 3.34Å
273R73.7Confident73.7Confident66 Ų6655.8 Ų55.825%0.24931%0.307CS..Hα-helixtrans-62.5-52.3174.5-72.7-170.3-75.9117.1-3.3111.9G268 F270 L271 F275 G276 E532G268-R273 PolarHBondContact O-NE 3.39Å; G268-R273 PolarHBondContact O-NH2 2.96Å; F270-R273 PolarHBondContact O-N 3.24Å; L271-R273 VanDerWaalsContact C-N 3.33Å; L271-R273 PolarHBondContact O-N 3.21Å; R273-F275 PolarHBondContact O-N 2.94Å; R273-G276 PolarHBondContact O-N 3.38Å; R273-E532 IonicContact CZ-OE1 2.83Å; R273-E532 VanDerWaalsContact CZ-OE1 3.24Å; R273-E532 IonicContact CZ-OE2 3.9Å; R273-E532 VanDerWaalsContact NH1-CD 3.28Å; R273-E532 IonicContact NH1-OE1 2.84Å; R273-E532 PolarHBondContact NH1-OE1 2.98Å; R273-E532 IonicContact NH1-OE2 2.84Å; R273-E532 PolarHBondContact NH1-OE2 3.4Å; R273-E532 IonicContact NH2-OE1 2.7Å; R273-E532 PolarHBondContact NH2-OE1 3.5Å
274L81.6Confident72.9Confident36 Ų3654.2 Ų54.219%0.18830%0.296CS..Hα-helixtrans-57.2-45.2177.8-179.867.4000113.2L207 F270 L271 G276 M527L207-L274 HydrophobicContact CB-CD1 4.27Å; L207-L274 HydrophobicContact CB-CG 4.15Å; L207-L274 VanDerWaalsContact CB-O 3.25Å; L207-L274 WeakPolarHBondContact CB-O 3.49Å; L207-L274 HydrophobicContact CD2-CD1 4.32Å; L207-L274 HydrophobicContact CD2-CD2 3.89Å; L207-L274 HydrophobicContact CD2-CG 3.9Å; L207-L274 PolarHBondContact N-O 3.28Å; F270-L274 HydrophobicContact CE1-CB 4.47Å; F270-L274 HydrophobicContact CE1-CD2 3.75Å; F270-L274 HydrophobicContact CZ-CB 4.35Å; F270-L274 HydrophobicContact CZ-CD1 4.32Å; F270-L274 HydrophobicContact CZ-CD2 3.9Å; F270-L274 HydrophobicContact CZ-CG 4.42Å; F270-L274 WeakPolarHBondContact O-CB 3.46Å; F270-L274 PolarHBondContact O-N 3.36Å; L271-L274 PolarHBondContact O-N 3.17Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 2.83Å; L274-M527 HydrophobicContact CD1-CE 4.15Å
275F82.2Confident72.2Confident85 Ų8549.3 Ų49.337%0.37329%0.286SS..Hα-helixtrans-79.5-5.8178.2-77.9-70.8000113.7L207 S208 L271 R273 L277L207-F275 HydrophobicContact CB-CD1 4.47Å; L207-F275 HydrophobicContact CD2-CD1 4.36Å; L207-F275 HydrophobicContact CD2-CE1 3.89Å; L207-F275 HydrophobicContact CD2-CZ 4.13Å; L207-F275 HydrophobicContact CG-CE1 4.41Å; S208-F275 PolarHBondContact OG-O 3.49Å; L271-F275 HydrophobicContact CD2-CD2 4.25Å; L271-F275 HydrophobicContact CD2-CE2 3.89Å; L271-F275 WeakPolarHBondContact O-CD2 3.48Å; L271-F275 PolarHBondContact O-N 3.19Å; R273-F275 PolarHBondContact O-N 2.94Å; F275-L277 VanDerWaalsContact C-N 3.31Å; F275-L277 HydrophobicContact CB-CD1 4.34Å; F275-L277 HydrophobicContact CB-CD2 4.48Å; F275-L277 HydrophobicContact CB-CG 3.94Å; F275-L277 PolarHBondContact O-N 3.12Å
276G73.9Confident71.5Confident5 Ų551.3 Ų51.35%0.05230%0.302CS..THydrogen-bonded Turntrans69.723.8-178.100000114.2K204 P272 R273 L274K204-G276 PolarHBondContact NZ-O 2.82Å; P272-G276 CarbonylContact O-C 3.59Å; P272-G276 WeakPolarHBondContact O-CA 3.31Å; P272-G276 PolarHBondContact O-N 3.37Å; R273-G276 PolarHBondContact O-N 3.38Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 2.83Å
277L77.8Confident71.1Confident20 Ų2052.1 Ų52.111%0.10530%0.299CS..  trans-76121.4175.7-52.9179.7000109.5V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD1 4.4Å; V251-L277 HydrophobicContact CG1-CD2 3.83Å; L252-L277 HydrophobicContact CD2-CD2 4.1Å; Y255-L277 HydrophobicContact CD1-CB 3.84Å; Y255-L277 HydrophobicContact CD2-CB 4.3Å; Y255-L277 HydrophobicContact CD2-CD1 4.15Å; Y255-L277 HydrophobicContact CE1-CB 3.97Å; Y255-L277 HydrophobicContact CE2-CB 4.44Å; Y255-L277 HydrophobicContact CG-CB 4.02Å; Y255-L277 HydrophobicContact CG-CD1 4.42Å; P272-L277 HydrophobicContact CB-CB 3.91Å; P272-L277 PolarHBondContact O-N 3.34Å; F275-L277 VanDerWaalsContact C-N 3.31Å; F275-L277 HydrophobicContact CB-CD1 4.34Å; F275-L277 HydrophobicContact CB-CD2 4.48Å; F275-L277 HydrophobicContact CB-CG 3.94Å; F275-L277 PolarHBondContact O-N 3.12Å
278T74.3Confident71Confident47 Ų4749 Ų4929%0.28828%0.277SS..  trans-131.1143.3177.937.20000110.6K204 Q256 L309K204-T278 PolarHBondContact NZ-OG1 2.67Å; Q256-T278 PolarHBondContact NE2-O 3.4Å; T278-L309 HydrophobicContact CG2-CD2 3.98Å
279V73.8Confident71Confident49 Ų4949.8 Ų49.830%0.29726%0.262SS..  trans-74.6130.4174.2-177.20000108.4Y255 H261 T267 M281Y255-V279 HydrophobicContact CD1-CG2 4.4Å; Y255-V279 HydrophobicContact CE1-CG2 3.73Å; H261-V279 HydrophobicContact CB-CG2 3.87Å; T267-V279 HydrophobicContact CG2-CG2 3.92Å; V279-M281 WeakPolarHBondContact CG1-O 3.39Å
280L71.1Confident70.5Confident38 Ų3851.5 Ų51.520%0.19927%0.265CS..SBendtrans-112.7-14.6-179.9-66166.3000112.3Y310 P313L280-Y310 HydrophobicContact CD2-CD1 3.88Å; L280-Y310 HydrophobicContact CD2-CE1 4.13Å; L280-P313 HydrophobicContact CD1-CG 4.02Å
281M68.5Low69.7Low21 Ų2149.6 Ų49.610%0.10326%0.257CS..  trans-148.4125.6179.4-63.5172.666.200108.6P28 V279 F291 F293P28-M281 HydrophobicContact CG-CE 4.34Å; P28-M281 HydrophobicContact CG-SD 4.46Å; V279-M281 WeakPolarHBondContact CG1-O 3.39Å; M281-F291 HydrophobicContact CE-CD2 4.06Å; M281-F291 HydrophobicContact CE-CE1 4.09Å; M281-F291 HydrophobicContact CE-CE2 3.33Å; M281-F291 HydrophobicContact CE-CZ 3.35Å; M281-F291 HydrophobicContact SD-CZ 4.41Å; M281-F293 HydrophobicContact CG-CD1 4.25Å; M281-F293 HydrophobicContact CG-CE1 4.36Å
282D64.1Low68.7Low50 Ų5047.9 Ų47.927%0.26725%0.25SS..  trans-103.6159168.6-172.520.7000110.7S284D282-S284 PolarHBondContact OD1-N 3.26Å; D282-S284 VanDerWaalsContact OD2-CB 3.26Å; D282-S284 WeakPolarHBondContact OD2-CB 3.46Å; D282-S284 PolarHBondContact OD2-OG 3.4Å
283S63.2Low68Low13 Ų1352.9 Ų52.99%0.09127%0.272CS..  trans-147.635.8169.645.80000111.6R104 P258R104-S283 PolarHBondContact NH1-O 3.2Å; R104-S283 PolarHBondContact NH2-O 2.79Å; P258-S283 WeakPolarHBondContact CG-OG 3.14Å
284S60.9Low67.1Low45 Ų4552.6 Ų52.632%0.31528%0.278SS..  trans-52159.1168.8540000112.8D282 E287 W288D282-S284 PolarHBondContact OD1-N 3.26Å; D282-S284 VanDerWaalsContact OD2-CB 3.26Å; D282-S284 WeakPolarHBondContact OD2-CB 3.46Å; D282-S284 PolarHBondContact OD2-OG 3.4Å; S284-E287 PolarHBondContact O-N 3.42Å; S284-W288 PolarHBondContact O-N 2.93Å
285C64.7Low65.7Low55 Ų5553.1 Ų53.137%0.37229%0.287SS..SBendtrans-81.5144.6167-79.30000109.1C95C95-C285 HydrophobicContact CB-CB 3.83Å; C95-C285 WeakPolarHBondContact CB-SG 3.48Å; C95-C285 WeakPolarHBondContact SG-CB 3.02Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.45Å
286P61.7Low64Low96 Ų9655 Ų5562%0.62331%0.308SS*.SBendcis-83.3-26.713.730.5-34.6000115.4W288 W289P286-W288 VanDerWaalsContact C-N 3.25Å; P286-W288 VanDerWaalsContact O-CD1 3.28Å; P286-W288 PolarHBondContact O-N 3.49Å; P286-W289 WeakPolarHBondContact O-CZ3 3.44Å
287E64.1Low63.1Low91 Ų9161.2 Ų61.243%0.42534%0.34SS..  trans-84.835.4-161.8-57-143116.100115.5S284 W289 K290S284-E287 PolarHBondContact O-N 3.42Å; E287-W289 PolarHBondContact O-N 3.08Å; E287-K290 HydrophobicContact CB-CB 4.49Å; E287-K290 HydrophobicContact CB-CD 3.93Å; E287-K290 VanDerWaalsContact CD-CD 3.43Å; E287-K290 HydrophobicContact CG-CD 4.28Å; E287-K290 WeakPolarHBondContact O-CB 3.31Å; E287-K290 PolarHBondContact O-N 2.73Å; E287-K290 IonicContact OE1-NZ 3.42Å; E287-K290 PolarHBondContact OE1-NZ 3.43Å; E287-K290 WeakPolarHBondContact OE2-CD 3.41Å; E287-K290 WeakPolarHBondContact OE2-CE 3.26Å; E287-K290 IonicContact OE2-NZ 3.24Å; E287-K290 PolarHBondContact OE2-NZ 3.25Å
288W64.2Low61.9Low27 Ų2765.3 Ų65.310%0.10236%0.357CS..THydrogen-bonded Turntrans-60.2-17.2-168.564.6-93.7000116.1I94 R104 V109 H112 S284 P286I94-W288 HydrophobicContact CD1-CZ2 4.33Å; I94-W288 HydrophobicContact CG2-CZ2 4.47Å; R104-W288 VanDerWaalsContact NH1-CB 3.34Å; V109-W288 HydrophobicContact CG1-CE3 4.5Å; V109-W288 HydrophobicContact CG1-CZ3 3.95Å; H112-W288 HydrophobicContact CB-CH2 4.33Å; H112-W288 AromaticContact CD2-CZ2 3.99Å; S284-W288 PolarHBondContact O-N 2.93Å; P286-W288 VanDerWaalsContact C-N 3.25Å; P286-W288 VanDerWaalsContact O-CD1 3.28Å; P286-W288 PolarHBondContact O-N 3.49Å
289W65.7Low60.8Low74 Ų7469.2 Ų69.228%0.2838%0.376SS..THydrogen-bonded Turntrans-85.2-23.5177.360.682.8000113.6H112 P286 E287H112-W289 HydrophobicContact CB-CB 4.43Å; P286-W289 WeakPolarHBondContact O-CZ3 3.44Å; E287-W289 PolarHBondContact O-N 3.08Å
290K62.6Low59.8Low73 Ų7373.8 Ų73.832%0.31740%0.399SS..SBendtrans-67.9165.2-178-92.6163.7151.1-178.80112.1E118 R121 E287 P292E118-K290 VanDerWaalsContact OE1-CA 3.22Å; E118-K290 WeakPolarHBondContact OE1-CA 3.37Å; E118-K290 VanDerWaalsContact OE2-CG 3.22Å; E118-K290 WeakPolarHBondContact OE2-CG 3.24Å; R121-K290 PolarHBondContact NH1-O 3.44Å; E287-K290 HydrophobicContact CB-CB 4.49Å; E287-K290 HydrophobicContact CB-CD 3.93Å; E287-K290 VanDerWaalsContact CD-CD 3.43Å; E287-K290 HydrophobicContact CG-CD 4.28Å; E287-K290 WeakPolarHBondContact O-CB 3.31Å; E287-K290 PolarHBondContact O-N 2.73Å; E287-K290 IonicContact OE1-NZ 3.42Å; E287-K290 PolarHBondContact OE1-NZ 3.43Å; E287-K290 WeakPolarHBondContact OE2-CD 3.41Å; E287-K290 WeakPolarHBondContact OE2-CE 3.26Å; E287-K290 IonicContact OE2-NZ 3.24Å; E287-K290 PolarHBondContact OE2-NZ 3.25Å; K290-P292 VanDerWaalsContact O-CD 3.32Å; K290-P292 WeakPolarHBondContact O-CD 3.4Å
291F61Low59.1Low62 Ų6278.1 Ų78.127%0.27242%0.423SS..  trans-116.960.4177.8-154.4-99.6000113.8E118 M281 F293E118-F291 PolarHBondContact OE1-N 3.38Å; M281-F291 HydrophobicContact CE-CD2 4.06Å; M281-F291 HydrophobicContact CE-CE1 4.09Å; M281-F291 HydrophobicContact CE-CE2 3.33Å; M281-F291 HydrophobicContact CE-CZ 3.35Å; M281-F291 HydrophobicContact SD-CZ 4.41Å; F291-F293 HydrophobicContact CD1-CD2 4.28Å; F291-F293 AromaticContact CD1-CE2 3.98Å; F291-F293 HydrophobicContact CD1-CE2 3.98Å; F291-F293 HydrophobicContact CD1-CZ 4.47Å; F291-F293 HydrophobicContact CE1-CD2 4.25Å; F291-F293 HydrophobicContact CE1-CE1 4.39Å; F291-F293 AromaticContact CE1-CE2 3.57Å; F291-F293 HydrophobicContact CE1-CE2 3.57Å; F291-F293 AromaticContact CE1-CZ 3.66Å; F291-F293 HydrophobicContact CE1-CZ 3.66Å; F291-F293 PolarHBondContact O-N 3.2Å
292P58.9Low58.5Low51 Ų5179.4 Ų79.433%0.33143%0.43SS..  trans-73.9118.3-179.231.4-34000111.9K290K290-P292 VanDerWaalsContact O-CD 3.32Å; K290-P292 WeakPolarHBondContact O-CD 3.4Å
293F60.7Low58.1Low107 Ų10781.2 Ų81.247%0.46944%0.439SS..SBendtrans-82.24.7167.3-87.9-63.2000113.4M281 F291 Y310M281-F293 HydrophobicContact CG-CD1 4.25Å; M281-F293 HydrophobicContact CG-CE1 4.36Å; F291-F293 HydrophobicContact CD1-CD2 4.28Å; F291-F293 AromaticContact CD1-CE2 3.98Å; F291-F293 HydrophobicContact CD1-CE2 3.98Å; F291-F293 HydrophobicContact CD1-CZ 4.47Å; F291-F293 HydrophobicContact CE1-CD2 4.25Å; F291-F293 HydrophobicContact CE1-CE1 4.39Å; F291-F293 AromaticContact CE1-CE2 3.57Å; F291-F293 HydrophobicContact CE1-CE2 3.57Å; F291-F293 AromaticContact CE1-CZ 3.66Å; F291-F293 HydrophobicContact CE1-CZ 3.66Å; F291-F293 PolarHBondContact O-N 3.2Å; F293-Y310 PolarHBondContact O-OH 2.91Å
294V53.1Low57.9Low60 Ų6086.8 Ų86.836%0.36447%0.466SS..SBendtrans-143133.1-168.7-164.70000107.6F298V294-F298 HydrophobicContact CG1-CB 4.21Å; V294-F298 HydrophobicContact CG1-CD2 4.13Å
295A52.3Low57.8Low47 Ų4788.9 Ų88.939%0.38847%0.472SS..  trans-70149.416800000109.4D297 F298A295-D297 PolarHBondContact O-N 3.45Å; A295-F298 HydrophobicContact CB-CE2 4.22Å
296P48.3Very low57.9Low124 Ų12488.7 Ų88.781%0.80547%0.465SS*.THydrogen-bonded Turntrans-67.17.6-16526.9-36.3000117
297D53.3Low58.6Low135 Ų13589.3 Ų89.372%0.72246%0.455SS*.THydrogen-bonded Turntrans-109.411.9-166.4-50.1-45.5000114.7A295A295-D297 PolarHBondContact O-N 3.45Å
298F52.4Low59.1Low106 Ų10685 Ų8547%0.46544%0.435SS..  trans-122.7136.3-171.3-61.4-58.3000115.1V294 A295 D302V294-F298 HydrophobicContact CG1-CB 4.21Å; V294-F298 HydrophobicContact CG1-CD2 4.13Å; A295-F298 HydrophobicContact CB-CE2 4.22Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.4Å
299N52Low59.6Low130 Ų13085.7 Ų85.770%0.69544%0.441SS*.  trans-82.5158.8170.9-85.8-5.5000112.3D301 D302N299-D301 PolarHBondContact O-N 3.26Å; N299-D302 VanDerWaalsContact O-CB 3.23Å; N299-D302 WeakPolarHBondContact O-CB 3.47Å; N299-D302 PolarHBondContact O-N 3.36Å; N299-D302 VanDerWaalsContact O-N 3.17Å
300D53.7Low60Low144 Ų14486 Ų8677%0.7744%0.442SS*.Hα-helixtrans-61.4-36.4-178.3-72.9-50.2000114.5D302 L303D300-D302 PolarHBondContact O-N 3.5Å; D300-L303 WeakPolarHBondContact O-CB 3.36Å; D300-L303 PolarHBondContact O-N 3.23Å; D300-L303 VanDerWaalsContact O-N 3.13Å
301D55.1Low60.9Low130 Ų13083.3 Ų83.370%0.69543%0.433SS*.Hα-helixtrans-60.4-32.5177.4-63.3-50.3000112.5N299 L303 I304N299-D301 PolarHBondContact O-N 3.26Å; D301-L303 PolarHBondContact O-N 2.94Å; D301-I304 PolarHBondContact O-N 2.97Å
302D56.9Low62Low47 Ų4780.5 Ų80.525%0.25142%0.421SS..Hα-helixtrans-72.9-20.5-177.2-143.312.9000111.6F298 N299 D300 I304 M305 K306F298-D302 WeakPolarHBondContact CD1-OD2 3.4Å; N299-D302 VanDerWaalsContact O-CB 3.23Å; N299-D302 WeakPolarHBondContact O-CB 3.47Å; N299-D302 PolarHBondContact O-N 3.36Å; N299-D302 VanDerWaalsContact O-N 3.17Å; D300-D302 PolarHBondContact O-N 3.5Å; D302-I304 VanDerWaalsContact C-N 3.32Å; D302-I304 PolarHBondContact O-N 3.11Å; D302-M305 PolarHBondContact O-N 2.88Å; D302-M305 VanDerWaalsContact O-N 3.16Å; D302-K306 VanDerWaalsContact CG-NZ 3.29Å; D302-K306 PolarHBondContact O-N 2.99Å; D302-K306 IonicContact OD1-NZ 3.88Å; D302-K306 PolarHBondContact OD1-NZ 2.82Å; D302-K306 IonicContact OD2-NZ 3.97Å; D302-K306 PolarHBondContact OD2-NZ 3.09Å
303L55.6Low63.1Low88 Ų8879.1 Ų79.146%0.46141%0.413SS..Hα-helixtrans-63.2-38.2177.8-155.880.7000111.6D300 D301 M305 K306 W307D300-L303 WeakPolarHBondContact O-CB 3.36Å; D300-L303 PolarHBondContact O-N 3.23Å; D300-L303 VanDerWaalsContact O-N 3.13Å; D301-L303 PolarHBondContact O-N 2.94Å; L303-M305 VanDerWaalsContact C-N 3.34Å; L303-K306 PolarHBondContact O-N 2.92Å; L303-W307 PolarHBondContact O-N 3.42Å
304I58.5Low64.2Low130 Ų13079.1 Ų79.167%0.66742%0.416SS*.Hα-helixtrans-68.7-34.4176.3-62.5173.8000110.5D301 D302 K306D301-I304 PolarHBondContact O-N 2.97Å; D302-I304 VanDerWaalsContact C-N 3.32Å; D302-I304 PolarHBondContact O-N 3.11Å; I304-K306 VanDerWaalsContact C-N 3.27Å; I304-K306 PolarHBondContact O-N 3.12Å
305M60Low65.8Low89 Ų8976.9 Ų76.944%0.43840%0.403SS..Hα-helixtrans-77.9-10-179.7-57.6-138.7-169.200113.8D302 L303 L549 V551D302-M305 PolarHBondContact O-N 2.88Å; D302-M305 VanDerWaalsContact O-N 3.16Å; L303-M305 VanDerWaalsContact C-N 3.34Å; M305-L549 HydrophobicContact CB-CD2 4.3Å; M305-L549 HydrophobicContact SD-CD2 4.02Å; M305-V551 VanDerWaalsContact O-CG2 3.25Å; M305-V551 WeakPolarHBondContact O-CG2 3.37Å
306K66.4Low67.5Low52 Ų5274.7 Ų74.723%0.22638%0.384CS..Hα-helixtrans-121.13.3-171.8-73169-177.5170.50115.1D302 L303 I304 P308 L309D302-K306 VanDerWaalsContact CG-NZ 3.29Å; D302-K306 PolarHBondContact O-N 2.99Å; D302-K306 IonicContact OD1-NZ 3.88Å; D302-K306 PolarHBondContact OD1-NZ 2.82Å; D302-K306 IonicContact OD2-NZ 3.97Å; D302-K306 PolarHBondContact OD2-NZ 3.09Å; L303-K306 PolarHBondContact O-N 2.92Å; I304-K306 VanDerWaalsContact C-N 3.27Å; I304-K306 PolarHBondContact O-N 3.12Å; K306-P308 VanDerWaalsContact C-N 3.33Å; K306-P308 WeakPolarHBondContact O-CD 3.32Å; K306-P308 VanDerWaalsContact O-N 3.08Å; K306-L309 HydrophobicContact CB-CD1 3.97Å; K306-L309 HydrophobicContact CG-CD1 4.2Å; K306-L309 WeakPolarHBondContact O-CB 3.25Å; K306-L309 PolarHBondContact O-N 3.39Å
307W75Confident69.3Low108 Ų10870.4 Ų70.441%0.40935%0.354SS..Hα-helixtrans-49.1-33.4179.779.6-100.9000117.1L303 L309 Y310 A311L303-W307 PolarHBondContact O-N 3.42Å; W307-L309 PolarHBondContact O-N 2.94Å; W307-L309 VanDerWaalsContact O-N 3.17Å; W307-Y310 PolarHBondContact O-N 3.29Å; W307-Y310 VanDerWaalsContact O-N 3.16Å; W307-A311 HydrophobicContact CE3-CB 3.84Å; W307-A311 HydrophobicContact CZ3-CB 3.71Å; W307-A311 PolarHBondContact O-N 2.87Å
308P75.6Confident70.8Confident0 Ų066.9 Ų66.90%034%0.338CS..Hα-helixtrans-64.7-23.3-177-20.833000113.8V203 K306 A311 N312 V551 V554V203-P308 WeakPolarHBondContact O-CB 3.22Å; K306-P308 VanDerWaalsContact C-N 3.33Å; K306-P308 WeakPolarHBondContact O-CD 3.32Å; K306-P308 VanDerWaalsContact O-N 3.08Å; P308-A311 PolarHBondContact O-N 3.35Å; P308-N312 PolarHBondContact O-N 3.48Å; P308-N312 VanDerWaalsContact O-N 3.11Å; P308-V551 HydrophobicContact CG-CG2 3.72Å; P308-V554 HydrophobicContact CB-CG2 4.26Å; P308-V554 HydrophobicContact CG-CG2 4.23Å
309L73.7Confident72.6Confident43 Ų4361.8 Ų61.823%0.22532%0.315CS..Hα-helixtrans-62.4-42.8175.2-73.1151.2000112K204 T278 K306 W307 P550K204-L309 HydrophobicContact CD-CD2 4.12Å; T278-L309 HydrophobicContact CG2-CD2 3.98Å; K306-L309 HydrophobicContact CB-CD1 3.97Å; K306-L309 HydrophobicContact CG-CD1 4.2Å; K306-L309 WeakPolarHBondContact O-CB 3.25Å; K306-L309 PolarHBondContact O-N 3.39Å; W307-L309 PolarHBondContact O-N 2.94Å; W307-L309 VanDerWaalsContact O-N 3.17Å; L309-P550 HydrophobicContact CD1-CG 4.45Å
310Y75.7Confident74.3Confident80 Ų8056.1 Ų56.131%0.31428%0.284SS..Hα-helixtrans-74.4-32.9175.9-63.1-80.5000112.3L280 F293 W307 P313L280-Y310 HydrophobicContact CD2-CD1 3.88Å; L280-Y310 HydrophobicContact CD2-CE1 4.13Å; F293-Y310 PolarHBondContact O-OH 2.91Å; W307-Y310 PolarHBondContact O-N 3.29Å; W307-Y310 VanDerWaalsContact O-N 3.16Å; Y310-P313 WeakPolarHBondContact O-CD 3.5Å
311A80.6Confident75.8Confident16 Ų1652.3 Ų52.313%0.13226%0.26CS..Hα-helixtrans-69.8-36.5-179.500000113.4V203 W307 P308 I314 V315V203-A311 HydrophobicContact CG1-CB 4.22Å; W307-A311 HydrophobicContact CE3-CB 3.84Å; W307-A311 HydrophobicContact CZ3-CB 3.71Å; W307-A311 PolarHBondContact O-N 2.87Å; P308-A311 PolarHBondContact O-N 3.35Å; A311-I314 WeakPolarHBondContact O-CB 3.48Å; A311-I314 PolarHBondContact O-N 2.63Å; A311-I314 VanDerWaalsContact O-N 3.07Å; A311-V315 HydrophobicContact CB-CG2 4.48Å; A311-V315 WeakPolarHBondContact O-CG2 3.22Å; A311-V315 PolarHBondContact O-N 3.27Å
312N85.2Confident77.1Confident3 Ų349.2 Ų49.22%0.01624%0.243CC..Hα-helixtrans-47.3-56.6-174.8-172.945.5000114.9V203 K204 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.13Å; K204-N312 HydrophobicContact CB-CB 4.38Å; N209-N312 PolarHBondContact ND2-OD1 2.99Å; P308-N312 PolarHBondContact O-N 3.48Å; P308-N312 VanDerWaalsContact O-N 3.11Å; N312-I314 VanDerWaalsContact C-N 3.3Å; N312-I314 PolarHBondContact O-N 2.69Å; N312-V315 PolarHBondContact O-N 2.96Å; N312-V316 WeakPolarHBondContact O-CG2 3.47Å; N312-V316 PolarHBondContact O-N 3.43Å
313P81.4Confident78.4Confident23 Ų2347 Ų4715%0.14923%0.231CC..Hα-helixtrans-63.4-32.4179.325.7-36000113.8L252 L280 Y310 L317L252-P313 HydrophobicContact CD1-CB 4.44Å; L280-P313 HydrophobicContact CD1-CG 4.02Å; Y310-P313 WeakPolarHBondContact O-CD 3.5Å; P313-L317 WeakPolarHBondContact O-CB 3.47Å; P313-L317 PolarHBondContact O-N 2.84Å; P313-L317 VanDerWaalsContact O-N 3.13Å
314I84.3Confident79.7Confident107 Ų10743.2 Ų43.255%0.54921%0.212SC..Hα-helixtrans-70.2-43.4178-56.4174.7000110A311 N312 L317 V318A311-I314 WeakPolarHBondContact O-CB 3.48Å; A311-I314 PolarHBondContact O-N 2.63Å; A311-I314 VanDerWaalsContact O-N 3.07Å; N312-I314 VanDerWaalsContact C-N 3.3Å; N312-I314 PolarHBondContact O-N 2.69Å; I314-L317 WeakPolarHBondContact O-CB 3.36Å; I314-L317 PolarHBondContact O-N 3.39Å; I314-V318 HydrophobicContact CG2-CG2 4.5Å; I314-V318 WeakPolarHBondContact O-CG2 3.3Å; I314-V318 PolarHBondContact O-N 3Å
315V86.2Confident80.5Confident13 Ų1339 Ų398%0.07920%0.196CC..Hα-helixtrans-65.2-41.7179.7170.70000111.3F196 Y199 V200 A311 N312 V318 F319F196-V315 HydrophobicContact CE1-CG1 4.41Å; F196-V315 HydrophobicContact CZ-CG1 4.19Å; Y199-V315 HydrophobicContact CD1-CG1 3.88Å; Y199-V315 HydrophobicContact CD1-CG2 4.39Å; Y199-V315 HydrophobicContact CE1-CG1 4.02Å; Y199-V315 HydrophobicContact CE1-CG2 3.68Å; V200-V315 HydrophobicContact CB-CG1 4.11Å; V200-V315 HydrophobicContact CG1-CG1 4.35Å; V200-V315 HydrophobicContact CG2-CG1 3.52Å; A311-V315 HydrophobicContact CB-CG2 4.48Å; A311-V315 WeakPolarHBondContact O-CG2 3.22Å; A311-V315 PolarHBondContact O-N 3.27Å; N312-V315 PolarHBondContact O-N 2.96Å; V315-V318 PolarHBondContact O-N 2.99Å; V315-F319 VanDerWaalsContact O-CB 3.3Å; V315-F319 WeakPolarHBondContact O-CB 2.97Å; V315-F319 PolarHBondContact O-N 2.94Å
316V87.7Confident81.3Confident0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-62.2-42173.3174.30000111.6V200 H248 F249 N312 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.09Å; H248-V316 HydrophobicContact CB-CG1 4.47Å; F249-V316 HydrophobicContact CB-CG1 4.32Å; N312-V316 WeakPolarHBondContact O-CG2 3.47Å; N312-V316 PolarHBondContact O-N 3.43Å; V316-F319 PolarHBondContact O-N 3.18Å; V316-F320 PolarHBondContact O-N 3.1Å
317L86.3Confident81.9Confident34 Ų3434.9 Ų34.918%0.17818%0.175CC..Hα-helixtrans-63.1-47.9176.4-174.374.5000111.9L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.25Å; L21-L317 HydrophobicContact CD1-CD2 4.09Å; F249-L317 HydrophobicContact CD2-CB 4.16Å; F249-L317 HydrophobicContact CD2-CD1 4.21Å; F249-L317 HydrophobicContact CE1-CD1 4.35Å; F249-L317 HydrophobicContact CE2-CB 4Å; F249-L317 HydrophobicContact CE2-CD1 3.94Å; F249-L317 HydrophobicContact CE2-CG 4.38Å; F249-L317 HydrophobicContact CZ-CD1 4.02Å; P313-L317 WeakPolarHBondContact O-CB 3.47Å; P313-L317 PolarHBondContact O-N 2.84Å; P313-L317 VanDerWaalsContact O-N 3.13Å; I314-L317 WeakPolarHBondContact O-CB 3.36Å; I314-L317 PolarHBondContact O-N 3.39Å; L317-F319 VanDerWaalsContact C-N 3.3Å; L317-F319 PolarHBondContact O-N 3.19Å; L317-F320 WeakPolarHBondContact O-CB 3.38Å; L317-F320 PolarHBondContact O-N 2.99Å; L317-Y321 HydrophobicContact CD1-CD2 4.37Å; L317-Y321 HydrophobicContact CD1-CE2 3.91Å; L317-Y321 HydrophobicContact CG-CD2 4.21Å; L317-Y321 HydrophobicContact CG-CE2 4.1Å; L317-Y321 WeakPolarHBondContact O-CD2 3.38Å; L317-Y321 PolarHBondContact O-N 2.62Å; L317-Y321 VanDerWaalsContact O-N 3.1Å
318V84.8Confident81.8Confident61 Ų6132 Ų3237%0.3717%0.165SC..Hα-helixtrans-62.7-38.5177.8172.50000110.9F196 I314 V315 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.18Å; F196-V318 HydrophobicContact CE1-CG1 3.81Å; F196-V318 HydrophobicContact CZ-CB 4.19Å; F196-V318 HydrophobicContact CZ-CG1 3.75Å; I314-V318 HydrophobicContact CG2-CG2 4.5Å; I314-V318 WeakPolarHBondContact O-CG2 3.3Å; I314-V318 PolarHBondContact O-N 3Å; V315-V318 PolarHBondContact O-N 2.99Å; V318-Y321 PolarHBondContact O-N 3.13Å; V318-L322 HydrophobicContact CG1-CD1 3.84Å; V318-L322 HydrophobicContact CG1-CG 4.26Å; V318-L322 WeakPolarHBondContact O-CB 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.2Å; V318-L322 PolarHBondContact O-N 3.2Å
319F89.1Confident81.4Confident0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-62.4-41174.5176.6-93.2000112.2F196 T197 V200 Y212 L241 V315 V316 L317 L322 T323F196-F319 HydrophobicContact CD1-CB 4.09Å; F196-F319 HydrophobicContact CD1-CD2 4.09Å; F196-F319 HydrophobicContact CE1-CB 3.96Å; T197-F319 HydrophobicContact CG2-CE2 4.47Å; V200-F319 HydrophobicContact CG2-CB 3.86Å; V200-F319 HydrophobicContact CG2-CD2 3.8Å; V200-F319 HydrophobicContact CG2-CG 3.98Å; Y212-F319 HydrophobicContact CD1-CE1 4.25Å; Y212-F319 HydrophobicContact CD1-CZ 4.27Å; Y212-F319 HydrophobicContact CE1-CD1 4.41Å; Y212-F319 AromaticContact CE1-CE1 3.9Å; Y212-F319 HydrophobicContact CE1-CE1 3.9Å; Y212-F319 HydrophobicContact CE1-CZ 4.38Å; L241-F319 HydrophobicContact CB-CE1 4.01Å; L241-F319 HydrophobicContact CB-CZ 3.99Å; L241-F319 HydrophobicContact CD1-CZ 4.23Å; L241-F319 HydrophobicContact CD2-CZ 4.2Å; L241-F319 HydrophobicContact CG-CZ 4.37Å; V315-F319 VanDerWaalsContact O-CB 3.3Å; V315-F319 WeakPolarHBondContact O-CB 2.97Å; V315-F319 PolarHBondContact O-N 2.94Å; V316-F319 PolarHBondContact O-N 3.18Å; L317-F319 VanDerWaalsContact C-N 3.3Å; L317-F319 PolarHBondContact O-N 3.19Å; F319-L322 PolarHBondContact O-N 3.43Å; F319-T323 HydrophobicContact CD1-CG2 4.12Å; F319-T323 HydrophobicContact CD2-CG2 4.21Å; F319-T323 HydrophobicContact CE1-CG2 3.77Å; F319-T323 HydrophobicContact CE2-CG2 3.87Å; F319-T323 HydrophobicContact CG-CG2 4.34Å; F319-T323 HydrophobicContact CZ-CG2 3.64Å; F319-T323 WeakPolarHBondContact O-CB 3.32Å; F319-T323 WeakPolarHBondContact O-CG2 3.43Å; F319-T323 PolarHBondContact O-N 2.75Å; F319-T323 PolarHBondContact O-OG1 3.44Å
320F89.1Confident81Confident10 Ų1036.7 Ų36.74%0.04419%0.187CC..Hα-helixtrans-59.5-50.2172.7172.7-97.2000111.8L40 A43 I242 A246 V316 L317 L322 T323 V324L40-F320 HydrophobicContact CB-CE1 4.45Å; L40-F320 HydrophobicContact CB-CZ 4.31Å; L40-F320 HydrophobicContact CD2-CD1 3.8Å; L40-F320 HydrophobicContact CD2-CE1 3.47Å; L40-F320 VanDerWaalsContact CD2-CE1 3.47Å; L40-F320 HydrophobicContact CD2-CE2 4.36Å; L40-F320 HydrophobicContact CD2-CG 4.37Å; L40-F320 HydrophobicContact CD2-CZ 3.79Å; A43-F320 HydrophobicContact CB-CE1 3.68Å; A43-F320 HydrophobicContact CB-CZ 4.27Å; I242-F320 HydrophobicContact CG2-CD2 4.25Å; I242-F320 HydrophobicContact CG2-CE2 3.91Å; A246-F320 HydrophobicContact CB-CD2 4.15Å; A246-F320 HydrophobicContact CB-CE2 3.92Å; V316-F320 PolarHBondContact O-N 3.1Å; L317-F320 WeakPolarHBondContact O-CB 3.38Å; L317-F320 PolarHBondContact O-N 2.99Å; F320-L322 PolarHBondContact O-N 2.98Å; F320-T323 WeakPolarHBondContact CA-OG1 3.33Å; F320-T323 PolarHBondContact O-N 3.48Å; F320-T323 PolarHBondContact O-OG1 2.82Å; F320-V324 HydrophobicContact CD2-CG2 4.2Å; F320-V324 HydrophobicContact CE1-CG2 4.33Å; F320-V324 HydrophobicContact CE2-CG2 3.92Å; F320-V324 HydrophobicContact CZ-CG2 4Å; F320-V324 WeakPolarHBondContact O-CB 3.36Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.39Å; F320-V324 PolarHBondContact O-N 3.41Å
321Y84.7Confident80.4Confident65 Ų6540 Ų4026%0.25520%0.199SC..Hα-helixtrans-63.8-40.3178.6-80.9-82.5000112.9P17 A39 A43 L317 V318 A325P17-Y321 WeakPolarHBondContact CB-OH 3.48Å; A39-Y321 PolarHBondContact O-OH 3.34Å; A43-Y321 HydrophobicContact CB-CD1 3.98Å; A43-Y321 HydrophobicContact CB-CE1 3.54Å; L317-Y321 HydrophobicContact CD1-CD2 4.37Å; L317-Y321 HydrophobicContact CD1-CE2 3.91Å; L317-Y321 HydrophobicContact CG-CD2 4.21Å; L317-Y321 HydrophobicContact CG-CE2 4.1Å; L317-Y321 WeakPolarHBondContact O-CD2 3.38Å; L317-Y321 PolarHBondContact O-N 2.62Å; L317-Y321 VanDerWaalsContact O-N 3.1Å; V318-Y321 PolarHBondContact O-N 3.13Å; Y321-A325 VanDerWaalsContact O-CB 3.29Å; Y321-A325 WeakPolarHBondContact O-CB 3.46Å; Y321-A325 PolarHBondContact O-N 3.19Å
322L82Confident79.2Confident65 Ų6543.4 Ų43.434%0.3422%0.215SC..Hα-helixtrans-66.2-45.3176.6-74.9173.8000112.6L193 F196 V318 F319 F320 A325 Q326L193-L322 HydrophobicContact CD1-CB 4.11Å; F196-L322 HydrophobicContact CD1-CD1 3.89Å; F196-L322 HydrophobicContact CE1-CD1 4.04Å; F196-L322 HydrophobicContact CG-CD1 4.4Å; V318-L322 HydrophobicContact CG1-CD1 3.84Å; V318-L322 HydrophobicContact CG1-CG 4.26Å; V318-L322 WeakPolarHBondContact O-CB 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.2Å; V318-L322 PolarHBondContact O-N 3.2Å; F319-L322 PolarHBondContact O-N 3.43Å; F320-L322 PolarHBondContact O-N 2.98Å; L322-A325 PolarHBondContact O-N 3.37Å; L322-Q326 WeakPolarHBondContact O-CB 3.26Å; L322-Q326 WeakPolarHBondContact O-CG 3.44Å; L322-Q326 PolarHBondContact O-N 3.23Å
323T84Confident77.5Confident0 Ų046.1 Ų46.10%024%0.243CC..Hα-helixtrans-64.9-41.2177.450.50000111.5L193 I242 F319 F320 Q326 Y327L193-T323 HydrophobicContact CD1-CG2 3.82Å; L193-T323 HydrophobicContact CD2-CG2 4.34Å; L193-T323 HydrophobicContact CG-CG2 4.4Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.1Å; F319-T323 HydrophobicContact CD1-CG2 4.12Å; F319-T323 HydrophobicContact CD2-CG2 4.21Å; F319-T323 HydrophobicContact CE1-CG2 3.77Å; F319-T323 HydrophobicContact CE2-CG2 3.87Å; F319-T323 HydrophobicContact CG-CG2 4.34Å; F319-T323 HydrophobicContact CZ-CG2 3.64Å; F319-T323 WeakPolarHBondContact O-CB 3.32Å; F319-T323 WeakPolarHBondContact O-CG2 3.43Å; F319-T323 PolarHBondContact O-N 2.75Å; F319-T323 PolarHBondContact O-OG1 3.44Å; F320-T323 WeakPolarHBondContact CA-OG1 3.33Å; F320-T323 PolarHBondContact O-N 3.48Å; F320-T323 PolarHBondContact O-OG1 2.82Å; T323-Q326 PolarHBondContact O-N 3.17Å; T323-Y327 VanDerWaalsContact O-CB 3.28Å; T323-Y327 WeakPolarHBondContact O-CB 3.45Å; T323-Y327 PolarHBondContact O-N 2.82Å
324V83.1Confident75.5Confident9 Ų948.5 Ų48.56%0.05526%0.261CS..Hα-helixtrans-65.5-41.9175.4171.30000111.9A43 I242 F320 Y327 K328A43-V324 HydrophobicContact CB-CG1 4.39Å; A43-V324 VanDerWaalsContact O-CG1 3.28Å; A43-V324 WeakPolarHBondContact O-CG1 3.34Å; I242-V324 HydrophobicContact CD1-CG2 4.11Å; I242-V324 HydrophobicContact CG1-CG2 4.03Å; I242-V324 HydrophobicContact CG2-CG2 3.77Å; F320-V324 HydrophobicContact CD2-CG2 4.2Å; F320-V324 HydrophobicContact CE1-CG2 4.33Å; F320-V324 HydrophobicContact CE2-CG2 3.92Å; F320-V324 HydrophobicContact CZ-CG2 4Å; F320-V324 WeakPolarHBondContact O-CB 3.36Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.39Å; F320-V324 PolarHBondContact O-N 3.41Å; V324-Y327 PolarHBondContact O-N 3.39Å; V324-K328 HydrophobicContact CG1-CD 4.44Å; V324-K328 WeakPolarHBondContact O-CG 3.4Å; V324-K328 PolarHBondContact O-N 3.02Å
325A75.5Confident73.3Confident40 Ų4053.2 Ų53.233%0.33127%0.271SS..Hα-helixtrans-62.4-46.1174.800000111.6Y321 L322 K328 F329Y321-A325 VanDerWaalsContact O-CB 3.29Å; Y321-A325 WeakPolarHBondContact O-CB 3.46Å; Y321-A325 PolarHBondContact O-N 3.19Å; L322-A325 PolarHBondContact O-N 3.37Å; A325-K328 PolarHBondContact O-N 3.11Å; A325-F329 WeakPolarHBondContact O-CD2 3.33Å; A325-F329 WeakPolarHBondContact O-CG 3.42Å; A325-F329 PolarHBondContact O-N 2.76Å
326Q76.3Confident71Confident12 Ų1261.3 Ų61.36%0.05631%0.308CS..Hα-helixtrans-60.7-45.6174.7-81.5-62.5-55.600112.6T189 L193 L322 T323 K328 F329 T330T189-Q326 PolarHBondContact OG1-NE2 2.94Å; L193-Q326 HydrophobicContact CD1-CG 4.31Å; L193-Q326 HydrophobicContact CD2-CB 4.43Å; L193-Q326 HydrophobicContact CD2-CG 4.35Å; L322-Q326 WeakPolarHBondContact O-CB 3.26Å; L322-Q326 WeakPolarHBondContact O-CG 3.44Å; L322-Q326 PolarHBondContact O-N 3.23Å; T323-Q326 PolarHBondContact O-N 3.17Å; Q326-K328 VanDerWaalsContact C-N 3.28Å; Q326-K328 PolarHBondContact O-N 2.93Å; Q326-F329 PolarHBondContact O-N 2.74Å; Q326-F329 VanDerWaalsContact O-N 3.16Å; Q326-T330 PolarHBondContact O-N 2.85Å; Q326-T330 PolarHBondContact O-OG1 3.29Å
327Y79.8Confident68.4Low43 Ų4369.7 Ų69.717%0.16934%0.341CS..Hα-helixtrans-62.1-35.2177.1175.5-115.9000111.9K239 I242 T323 V324 T330 R331K239-Y327 VanDerWaalsContact CE-OH 3.29Å; K239-Y327 WeakPolarHBondContact CE-OH 3.12Å; K239-Y327 HydrophobicContact CG-CE2 4.28Å; I242-Y327 HydrophobicContact CD1-CD1 4.25Å; I242-Y327 HydrophobicContact CD1-CG 4.09Å; T323-Y327 VanDerWaalsContact O-CB 3.28Å; T323-Y327 WeakPolarHBondContact O-CB 3.45Å; T323-Y327 PolarHBondContact O-N 2.82Å; V324-Y327 PolarHBondContact O-N 3.39Å; Y327-T330 PolarHBondContact O-OG1 3.42Å; Y327-R331 WeakPolarHBondContact O-CB 3.22Å; Y327-R331 PolarHBondContact O-N 3.48Å
328K72.1Confident65.7Low47 Ų4774.1 Ų74.120%0.20436%0.364CS..Hα-helixtrans-69-37.9172.9-77.5177.6173.7-178.80113.1A43 V44 L45 V324 A325 Q326 N332A43-K328 PolarHBondContact O-NZ 3.13Å; V44-K328 VanDerWaalsContact O-CE 3.22Å; V44-K328 WeakPolarHBondContact O-CE 3.37Å; V44-K328 PolarHBondContact O-NZ 3.26Å; L45-K328 PolarHBondContact O-NZ 3.09Å; V324-K328 HydrophobicContact CG1-CD 4.44Å; V324-K328 WeakPolarHBondContact O-CG 3.4Å; V324-K328 PolarHBondContact O-N 3.02Å; A325-K328 PolarHBondContact O-N 3.11Å; Q326-K328 VanDerWaalsContact C-N 3.28Å; Q326-K328 PolarHBondContact O-N 2.93Å; K328-N332 WeakPolarHBondContact O-CB 3.28Å; K328-N332 PolarHBondContact O-N 2.99Å; K328-N332 VanDerWaalsContact O-N 3.12Å
329F68.4Low63.1Low111 Ų11178.6 Ų78.649%0.48739%0.386SS..Hα-helixtrans-67.2-42.4173.6-65.4-35.6000112.1A325 Q326 G333A325-F329 WeakPolarHBondContact O-CD2 3.33Å; A325-F329 WeakPolarHBondContact O-CG 3.42Å; A325-F329 PolarHBondContact O-N 2.76Å; Q326-F329 PolarHBondContact O-N 2.74Å; Q326-F329 VanDerWaalsContact O-N 3.16Å; F329-G333 PolarHBondContact O-N 2.98Å
330T65.4Low60.3Low32 Ų3284.9 Ų84.920%0.19642%0.419CS..Hα-helixtrans-74.7-26.9177.459.50000113.8N235 Q326 Y327N235-T330 PolarHBondContact OD1-OG1 3.33Å; Q326-T330 PolarHBondContact O-N 2.85Å; Q326-T330 PolarHBondContact O-OG1 3.29Å; Y327-T330 PolarHBondContact O-OG1 3.42Å
331R63.2Low57.4Low149 Ų14991.1 Ų91.156%0.56245%0.453SS*.Hα-helixtrans-79.4-38.2178177.5176.3173174.70.1113.9Y327Y327-R331 WeakPolarHBondContact O-CB 3.22Å; Y327-R331 PolarHBondContact O-N 3.48Å
332N54.5Low54.7Low87 Ų8795.8 Ų95.847%0.46548%0.477SS..Hα-helixtrans-86.1-22.4-177.8-73.5-5.3000112.9K328 S334K328-N332 WeakPolarHBondContact O-CB 3.28Å; K328-N332 PolarHBondContact O-N 2.99Å; K328-N332 VanDerWaalsContact O-N 3.12Å; N332-S334 VanDerWaalsContact C-N 3.27Å; N332-S334 PolarHBondContact O-N 2.72Å
333G48.8Very low52.2Low60 Ų60103.2 Ų103.262%0.61950%0.503SS*.THydrogen-bonded Turntrans-78.15.6-174.900000116.5F329F329-G333 PolarHBondContact O-N 2.98Å
334S41Very low49.4Very low74 Ų74106.3 Ų106.352%0.51753%0.534SS..THydrogen-bonded Turntrans-128.74.5-175730000115N332N332-S334 VanDerWaalsContact C-N 3.27Å; N332-S334 PolarHBondContact O-N 2.72Å
335R37.6Very low46.7Very low205 Ų205111 Ų11177%0.77457%0.567SS**THydrogen-bonded Turntrans-97-1.3-173.2-154.2171.6179.9177.20.7114.8I338R335-I338 HydrophobicContact CG-CD1 4.35Å
336E38.5Very low44.6Very low183 Ų183112.8 Ų112.886%0.85558%0.577SS**THydrogen-bonded Turntrans-98.710.3165.8-73.4162.3160.900111.5
337Y33Very low42.5Very low176 Ų176115.2 Ų115.269%0.6959%0.593SS**  trans-121.952178.1-84.3-79.1000110.8
338I28.4Very low40.4Very low128 Ų128120.2 Ų120.266%0.65662%0.617SS**  trans-99.297.4170-57.3175.7000107.7R335R335-I338 HydrophobicContact CG-CD1 4.35Å
339D31.6Very low39Very low154 Ų154124 Ų12482%0.82464%0.636SS**  trans-152.2157.2135.4-142.1-29.7000108.6
340D28.8Very low37.4Very low132 Ų132121.8 Ų121.871%0.70663%0.627SS**  trans-97.2176.7-149.6-86.3-49.1000116.6
341N29.7Very low35.7Very low141 Ų141129.7 Ų129.775%0.75465%0.653SS**  trans90.3117.3157.7-68.8-27.9000122.1
342E27.7Very low34.1Very low164 Ų164130 Ų13077%0.76666%0.659SS**  trans86.992.7135.4-61.6-172.7140.700123
343Y27.7Very low33.3Very low221 Ų221131.8 Ų131.887%0.86767%0.673SS**  trans38.693.3131.9-57.2-75.5000120.6
344G26.5Very low32.4Very low64 Ų64133.7 Ų133.766%0.6668%0.677SS**  trans-172.373.1168.800000119.2
345S26.9Very low31.8Very low107 Ų107134.5 Ų134.575%0.74869%0.688SS**  trans63.6-179.1162.9-1550000118.1V347S345-V347 PolarHBondContact O-N 2.86Å; S345-V347 VanDerWaalsContact O-N 3.1Å
346S31Very low31.5Very low78 Ų78128.3 Ų128.355%0.54569%0.687SS.*SBendtrans-85.771.6-164.754.90000114.8
347V31.5Very low31.3Very low63 Ų63125 Ų12538%0.38268%0.68SS.*  trans-103.81.6-164.6171.10000115.5S345 E349 E350S345-V347 PolarHBondContact O-N 2.86Å; S345-V347 VanDerWaalsContact O-N 3.1Å; V347-E349 PolarHBondContact O-N 3.18Å; V347-E350 HydrophobicContact CG1-CB 4.14Å; V347-E350 HydrophobicContact CG1-CG 4.4Å; V347-E350 PolarHBondContact O-N 3.09Å
348H36Very low31.1Very low148 Ų148123.3 Ų123.369%0.68569%0.688SS**THydrogen-bonded Turntrans-67.45.4-178.7-81.1-23.8000116.9H231H231-H348 AromaticContact CD2-CD2 3.81Å; H231-H348 AromaticContact NE2-CD2 3.91Å
349E43.2Very low30.9Very low127 Ų127125.8 Ų125.859%0.59370%0.696SS**THydrogen-bonded Turntrans-88.1-19.8165.9-157.1166.7-115.600112.4V347 K434V347-E349 PolarHBondContact O-N 3.18Å; E349-K434 IonicContact OE2-NZ 2.6Å; E349-K434 PolarHBondContact OE2-NZ 2.86Å
350E34.6Very low30.6Very low64 Ų64124.1 Ų124.130%0.29969%0.692SS.*SBendtrans-97.3-14.1-163.2-53.3-171.4146.300114.8V347 F352 Y595V347-E350 HydrophobicContact CG1-CB 4.14Å; V347-E350 HydrophobicContact CG1-CG 4.4Å; V347-E350 PolarHBondContact O-N 3.09Å; E350-F352 VanDerWaalsContact C-N 3.28Å; E350-F352 PolarHBondContact O-N 3.4Å; E350-Y595 VanDerWaalsContact CD-OH 3.32Å; E350-Y595 PolarHBondContact OE1-OH 3.18Å
351R29Very low30.6Very low199 Ų199123.7 Ų123.775%0.75169%0.69SS**  trans-79.16.2-178.5-107.6-172.7-170.9177.84.7115.9V353R351-V353 PolarHBondContact O-N 3.35Å
352F30.9Very low30.6Very low154 Ų154122.3 Ų122.368%0.67569%0.686SS**THydrogen-bonded Turntrans-79.613.9-179.9-88.5-99000114.7R187 E350R187-F352 VanDerWaalsContact NH2-CZ 3.28Å; E350-F352 VanDerWaalsContact C-N 3.28Å; E350-F352 PolarHBondContact O-N 3.4Å
353V36.3Very low30.7Very low125 Ų125121.1 Ų121.176%0.75869%0.685SS**THydrogen-bonded Turntrans-120.3-12.3-166.9-175.50000113.9R351R351-V353 PolarHBondContact O-N 3.35Å
354S31.6Very low30.9Very low101 Ų101118.5 Ų118.571%0.70669%0.686SS**SBendtrans-144.839-166.1-48.80000115.7
355A26.9Very low31Very low91 Ų91121.9 Ų121.975%0.75269%0.693SS**SBendtrans-126.645.1178.900000112.5
356G32.2Very low31.1Very low74 Ų74119.8 Ų119.876%0.76369%0.689SS**SBendtrans-165.126.4-17600000114.8
357T33.3Very low30.8Very low114 Ų114124.8 Ų124.870%0.69970%0.703SS**  trans-145.6149.6-179.347.70000110
358V28.8Very low30.7Very low140 Ų140128.8 Ų128.885%0.84872%0.722SS**  trans83.4139.9-175.6-168.90000113.4
359E24.8Very low30.4Very low180 Ų180129.6 Ų129.684%0.84173%0.73SS**  trans71.5118.8-166.9-59.4-174.4-173.800115.8
360T25.2Very low29.5Very low119 Ų119128.4 Ų128.473%0.7374%0.736SS**  cis-147.7178.3-16.632.90000108.4
361N29.3Very low29Very low124 Ų124132.7 Ų132.766%0.66376%0.759SS**  trans68.9102.8177.5-56.64.2000112.2
362V29.1Very low29Very low112 Ų112128.9 Ų128.968%0.67976%0.762SS**  cis54.2112.545-155.20000107.4
363D30.8Very low28.8Very low139 Ų139129.6 Ų129.674%0.74377%0.768SS**SBend-126.8-35.254.5-55.9-63.2000117.1V365D363-V365 PolarHBondContact O-N 3.48Å
364D30.6Very low28.3Very low166 Ų166129.1 Ų129.189%0.88877%0.77SS**SBendtrans-77.524.4-164-75.9-39.8000116.9G366D364-G366 PolarHBondContact O-N 3.38Å
365V28.9Very low28.1Very low134 Ų134131 Ų13181%0.81278%0.777SS**  trans-81.753.8160.6-170.40000108.5D363D363-V365 PolarHBondContact O-N 3.48Å
366G28.6Very low28.2Very low63 Ų63131.6 Ų131.665%0.64978%0.783SS**  trans-117.615-163.200000115.3D364D364-G366 PolarHBondContact O-N 3.38Å
367Q24.8Very low28.3Very low183 Ų183133.7 Ų133.786%0.85579%0.785SS**  trans-133.634.7172.1-142.5175.830.700113.9
368L30.2Very low28.1Very low148 Ų148132.7 Ų132.778%0.77579%0.789SS**SBendtrans-103114.2151.2-88.183.9000108.8
369I30.6Very low28.4Very low165 Ų165131.3 Ų131.385%0.84678%0.783SS**SBendtrans76.373.8168.3-44.1176.4000116.1
370S23.1Very low28.6Very low102 Ų102128.3 Ų128.371%0.71378%0.782SS**  trans179.7153143.939.10000107.3
371I24.2Very low28.8Very low154 Ų154126.5 Ų126.579%0.7979%0.787SS**  cis-104.4145.57.4-69.2166.2000111E373I371-E373 HydrophobicContact CG2-CB 4.26Å
372S29.6Very low28.7Very low118 Ų118132.9 Ų132.983%0.82580%0.802SS**  trans-97.7116.9162.455.20000110.2
373E25.8Very low28.5Very low170 Ų170131 Ų13179%0.79481%0.805SS**  trans-145.9122.6167.2-165.4161.9-122.900109I371I371-E373 HydrophobicContact CG2-CB 4.26Å
374S26.9Very low28.4Very low114 Ų114136.8 Ų136.880%0.79782%0.816SS**SBendtrans57.7120.9-167.967.90000115.6
375T27Very low28.1Very low140 Ų140132 Ų13286%0.85981%0.806SS**SBendcis-147.2112.3-531.70000110.4
376A29.3Very low28.1Very low105 Ų105132.8 Ų132.887%0.86881%0.806SS**  trans-162.5118.1157.500000108.8
377S32.8Very low28Very low117 Ų117135.4 Ų135.482%0.81881%0.81SS**  trans-76.3130-179.652.40000112
378A29.6Very low28.1Very low93 Ų93133.5 Ų133.577%0.76980%0.804SS**  trans42.8155.6131.200000121.8
379P34.7Very low28.3Very low111 Ų111133.5 Ų133.572%0.72180%0.804SS**  cis-135.8179.7-16.635.1-14.8000114.9
380S28.8Very low28.4Very low117 Ų117132.5 Ų132.582%0.81880%0.8SS**  trans34130.8143.965.50000122.4
381G29.6Very low28.9Very low82 Ų82132.3 Ų132.385%0.84580%0.799SS**  trans178.3108.9157.600000116
382R27.1Very low29.3Very low258 Ų258132.3 Ų132.397%0.97480%0.8SS**  trans-78.8138.7171.3-73.9170.1165157.9-7.5111.9
383G26.7Very low29.5Very low72 Ų72130.5 Ų130.574%0.74279%0.792SS**  105.1121.2124.600000120.8
384R27.3Very low29.8Very low260 Ų260128.1 Ų128.198%0.98180%0.795SS**  56.799.5128-165.7-173.9-164.71715.3119.5
385G24.9Very low29.9Very low66 Ų66127.4 Ų127.468%0.6879%0.79SS**  trans130119.7135.500000119.2
386N28.4Very low30.1Very low151 Ų151125.9 Ų125.981%0.80779%0.785SS**  trans52.9140.4137.4-61.80.9000124.2
387T27.1Very low30.4Very low118 Ų118124.9 Ų124.972%0.72478%0.777SS**  trans78.312114041.30000124.3
388L26.5Very low30.4Very low142 Ų142125.6 Ų125.674%0.74377%0.771SS**  trans72.7116131.1-64.3166.8000123.9
389L34.9Very low30.6Very low148 Ų148127.3 Ų127.378%0.77577%0.767SS**  trans59.2141130.9-65176.7000124.9
390L33.2Very low30.6Very low145 Ų145128.4 Ų128.476%0.75977%0.767SS**  trans78.1118.3146.9-108.983.1000123.4
391S33Very low30.8Very low98 Ų98127.4 Ų127.469%0.68575%0.75SS**  trans76.2158.2131.671.60000124
392N31.3Very low30.9Very low153 Ų153131 Ų13182%0.81875%0.745SS**  trans82.7106.7159.2-81.30.3000124.1
393A33.9Very low31Very low80 Ų80121.4 Ų121.466%0.66173%0.725SS**  62.5128.7111.800000124
394S33.1Very low31.1Very low121 Ų121126.7 Ų126.785%0.84672%0.723SS**  trans60.9145.1149.860.30000118.1
395S29.7Very low31.2Very low99 Ų99118.1 Ų118.169%0.69271%0.708SS**  cis-167.7-179.229.350.90000110.7
396S31.1Very low31.4Very low107 Ų107126.4 Ų126.475%0.74872%0.719SS**  trans63.3125.3165.933.40000117.1
397A33.9Very low31.4Very low85 Ų85123.7 Ų123.770%0.70271%0.711SS**  81.3136.555.800000112.1
398N33.2Very low31.6Very low132 Ų132129.7 Ų129.771%0.70672%0.721SS**  cis-158.8175.25.6-131.643.1000113.5
399D34.5Very low31.9Very low128 Ų128128.1 Ų128.168%0.68472%0.722SS**  trans76.7141.3153.9-52.8-28.6000121.5
400D33.7Very low32Very low135 Ų135126 Ų12672%0.72272%0.717SS**  cis-170.6163.1-39.1-126.417.6000110
401E33.2Very low31.9Very low96 Ų96126.3 Ų126.345%0.44972%0.719SS.*  cis-129.2-97.1-14.2-162.2-130.5123.900109.7G403 R404E401-G403 WeakPolarHBondContact OE1-CA 3.5Å; E401-G403 PolarHBondContact OE1-N 3.1Å; E401-R404 IonicContact OE1-CZ 2.79Å; E401-R404 IonicContact OE1-NH1 3.77Å; E401-R404 PolarHBondContact OE1-NH1 2.9Å; E401-R404 IonicContact OE1-NH2 3.8Å; E401-R404 IonicContact OE2-CZ 3.41Å; E401-R404 VanDerWaalsContact OE2-CZ 3.23Å; E401-R404 IonicContact OE2-NH1 3.68Å; E401-R404 PolarHBondContact OE2-NH1 3.22Å; E401-R404 IonicContact OE2-NH2 3.43Å; E401-R404 PolarHBondContact OE2-NH2 3.48Å
402Q31.4Very low31.7Very low158 Ų158131.8 Ų131.874%0.73872%0.724SS**  cis-136.263-20.5-167.9120.399.100113.6
403G30.8Very low31.6Very low55 Ų55131.8 Ų131.857%0.56772%0.724SS**  trans79.6180157.900000118.9E401E401-G403 WeakPolarHBondContact OE1-CA 3.5Å; E401-G403 PolarHBondContact OE1-N 3.1Å
404R28.9Very low31.4Very low184 Ų184131 Ų13169%0.69472%0.723SS**  cis-169.1144-10.4-108.3159.5-166.473.12.9107.3E401E401-R404 IonicContact OE1-CZ 2.79Å; E401-R404 IonicContact OE1-NH1 3.77Å; E401-R404 PolarHBondContact OE1-NH1 2.9Å; E401-R404 IonicContact OE1-NH2 3.8Å; E401-R404 IonicContact OE2-CZ 3.41Å; E401-R404 VanDerWaalsContact OE2-CZ 3.23Å; E401-R404 IonicContact OE2-NH1 3.68Å; E401-R404 PolarHBondContact OE2-NH1 3.22Å; E401-R404 IonicContact OE2-NH2 3.43Å; E401-R404 PolarHBondContact OE2-NH2 3.48Å
405A29.3Very low31.1Very low80 Ų80134.4 Ų134.466%0.66173%0.726SS**  cis-171.1170.4-26.300000108.7
406R28.7Very low30.9Very low240 Ų240138.4 Ų138.491%0.90673%0.734SS**  trans75.2156.2161.9-63173177.8165.2-0.8118.5
407S28.9Very low30.7Very low94 Ų94143.3 Ų143.366%0.65775%0.745SS**  cis-168.1167.6-26.359.50000113.9
408R30.4Very low30.3Very low243 Ų243141.5 Ų141.592%0.91773%0.734SS**  trans95.5151.9155.9-73.8179173.1167.9-1.4120.8
409S32.4Very low30Very low109 Ų109140.9 Ų140.976%0.76274%0.74SS**  trans-134.9-160.2-166.457.50000107.2
410P36.8Very low29.5Very low104 Ų104142.6 Ų142.668%0.67575%0.748SS**  cis-141.9-155.43.534.6-8.4000114.9
411L31.1Very low29.3Very low152 Ų152140.4 Ų140.480%0.79674%0.741SS**  trans84.3107.9150.6-79.3164.5000121.5
412R29.3Very low29.3Very low212 Ų212141 Ų14180%0.875%0.746SS**  129.399.7102.3-171.2172.5173.7168.9-3.5118.1
413N28.9Very low29.7Very low154 Ų154144.3 Ų144.382%0.82475%0.752SS**  trans65.4148.8140.4-54.819.1000121.2
414G30.6Very low30.1Very low62 Ų62147.5 Ų147.564%0.63975%0.75SS**  trans108.575.9-174.600000111.2
415E26.1Very low30.8Very low193 Ų193141.4 Ų141.490%0.90273%0.733SS**  57104.686.1-59.2-179.5142.600110.9
416E24.9Very low31.9Very low183 Ų183140.1 Ų140.186%0.85572%0.718SS**  cis-149.5161.748.9-73.6-173.6134.600114.5G418E416-G418 PolarHBondContact O-N 3.26Å; E416-G418 VanDerWaalsContact O-N 3.08Å
417Q28Very low33.2Very low211 Ų211129.4 Ų129.499%0.98668%0.68SS**  trans-80.264.7162.8-69.1178.2-2100111.3
418G26Very low34.7Very low46 Ų46128.3 Ų128.347%0.47466%0.664SS.*  trans-86135.2174.700000112.6E416 I420E416-G418 PolarHBondContact O-N 3.26Å; E416-G418 VanDerWaalsContact O-N 3.08Å; G418-I420 VanDerWaalsContact C-N 3.34Å; G418-I420 PolarHBondContact O-N 3.38Å
419S25.6Very low36Very low119 Ų119120.1 Ų120.183%0.83264%0.641SS**  trans-72.179.9177.744.30000112.2P421S419-P421 VanDerWaalsContact O-CD 3.26Å; S419-P421 WeakPolarHBondContact O-CD 3.5Å
420I25.5Very low37.3Very low164 Ų164116.7 Ų116.784%0.84162%0.615SS**  trans-59.5111.4-179.1-51.8-175.7000109.4G418G418-I420 VanDerWaalsContact C-N 3.34Å; G418-I420 PolarHBondContact O-N 3.38Å
421P29.7Very low38.5Very low90 Ų90112.4 Ų112.458%0.58459%0.587SS**  trans-76.6164.1-160.429.3-36.5000112.9S419 R423S419-P421 VanDerWaalsContact O-CD 3.26Å; S419-P421 WeakPolarHBondContact O-CD 3.5Å; P421-R423 VanDerWaalsContact C-N 3.3Å; P421-R423 WeakPolarHBondContact O-CA 3.38Å; P421-R423 PolarHBondContact O-N 2.96Å
422L33.2Very low40Very low107 Ų107109.4 Ų109.456%0.5657%0.565SS**SBendtrans-55.791.6169.7-82.6160.9000109.8K424L422-K424 PolarHBondContact O-N 2.67Å
423R38.7Very low41.5Very low229 Ų229102.9 Ų102.986%0.86455%0.546SS*.  trans-52.7109-157.9-169.1179.5-171.4179.94.1111.5P421 V425P421-R423 VanDerWaalsContact C-N 3.3Å; P421-R423 WeakPolarHBondContact O-CA 3.38Å; P421-R423 PolarHBondContact O-N 2.96Å; R423-V425 PolarHBondContact O-N 3.16Å; R423-V425 VanDerWaalsContact O-N 3.08Å
424K39.9Very low42.9Very low121 Ų12199 Ų9953%0.52652%0.522SS..  trans-15.299.2-172.1-83.5-175173.7176.40113.3L422 T426 E581L422-K424 PolarHBondContact O-N 2.67Å; K424-T426 WeakPolarHBondContact O-CG2 3.24Å; K424-T426 PolarHBondContact O-N 2.84Å; K424-E581 IonicContact NZ-OE1 3.99Å; K424-E581 PolarHBondContact NZ-OE1 2.7Å
425V44Very low44.3Very low56 Ų5697 Ų9734%0.33950%0.496SS..  trans-51.6111.6158.4-176.30000106.6R423 V429 V430 R588R423-V425 PolarHBondContact O-N 3.16Å; R423-V425 VanDerWaalsContact O-N 3.08Å; V425-V429 HydrophobicContact CG1-CB 4.02Å; V425-V429 HydrophobicContact CG1-CG1 4.19Å; V425-V430 HydrophobicContact CG1-CG2 4.07Å; V425-R588 VanDerWaalsContact N-NH1 3.18Å; V425-R588 PolarHBondContact O-NH1 3.4Å; V425-R588 PolarHBondContact O-NH2 2.85Å
426T50.6Low45.9Very low54 Ų5488.7 Ų88.733%0.33146%0.459SS..  trans-79.9158.3-17663.50000110.1K424 Q428 V429K424-T426 WeakPolarHBondContact O-CG2 3.24Å; K424-T426 PolarHBondContact O-N 2.84Å; T426-Q428 PolarHBondContact O-N 3.33Å; T426-Q428 VanDerWaalsContact O-N 3.16Å; T426-Q428 PolarHBondContact OG1-OE1 3.1Å; T426-V429 PolarHBondContact O-N 2.69Å
427S57.8Low47.4Very low15 Ų1585.5 Ų85.511%0.10545%0.448CS..Hα-helixtrans-46.8-41.8172.643.80000112V429 V430 D431S427-V429 VanDerWaalsContact C-N 3.34Å; S427-V429 PolarHBondContact O-N 3.32Å; S427-V430 PolarHBondContact O-N 2.98Å; S427-D431 PolarHBondContact O-N 3.07Å
428Q59.3Low48.7Very low70 Ų7081.2 Ų81.233%0.32743%0.431SS..Hα-helixtrans-55.5-38.8178.1-57.4165.9-63.100114.2T426 R432 T458 F462T426-Q428 PolarHBondContact O-N 3.33Å; T426-Q428 VanDerWaalsContact O-N 3.16Å; T426-Q428 PolarHBondContact OG1-OE1 3.1Å; Q428-R432 WeakPolarHBondContact O-CB 3.37Å; Q428-R432 PolarHBondContact O-N 3.01Å; Q428-T458 HydrophobicContact CB-CG2 4.38Å; Q428-F462 HydrophobicContact CG-CD2 4.48Å
429V58Low50.1Low72 Ų7282.5 Ų82.544%0.43642%0.423SS..Hα-helixtrans-72.1-39.4-179.5-1790000110.3V425 T426 S427 R432 N433V425-V429 HydrophobicContact CG1-CB 4.02Å; V425-V429 HydrophobicContact CG1-CG1 4.19Å; T426-V429 PolarHBondContact O-N 2.69Å; S427-V429 VanDerWaalsContact C-N 3.34Å; S427-V429 PolarHBondContact O-N 3.32Å; V429-R432 PolarHBondContact O-N 3.2Å; V429-N433 PolarHBondContact O-N 3.47Å
430V60.1Low51.5Low37 Ų3778.3 Ų78.322%0.22439%0.392CS..Hα-helixtrans-69.1-39.3175.5-173.30000111V425 S427 N433 K434 Y580V425-V430 HydrophobicContact CG1-CG2 4.07Å; S427-V430 PolarHBondContact O-N 2.98Å; V430-N433 PolarHBondContact O-N 2.87Å; V430-K434 PolarHBondContact O-N 3.48Å; V430-Y580 HydrophobicContact CG1-CE1 4.15Å; V430-Y580 HydrophobicContact CG2-CE1 4.25Å
431D61.2Low52.4Low14 Ų1474.9 Ų74.98%0.07538%0.379CS..Hα-helixtrans-60.4-49.8172.2-83.3-45.6000111.8S427 N433 K434 L435 R576S427-D431 PolarHBondContact O-N 3.07Å; D431-N433 VanDerWaalsContact C-N 3.27Å; D431-N433 PolarHBondContact O-N 3.44Å; D431-K434 PolarHBondContact O-N 2.85Å; D431-L435 HydrophobicContact CB-CD1 4.5Å; D431-L435 WeakPolarHBondContact O-CB 3.35Å; D431-L435 WeakPolarHBondContact O-CD1 3.47Å; D431-L435 VanDerWaalsContact O-CG 3.26Å; D431-L435 WeakPolarHBondContact O-CG 3.39Å; D431-L435 PolarHBondContact O-N 3.32Å; D431-R576 VanDerWaalsContact CG-NH1 3.29Å; D431-R576 IonicContact OD1-CZ 3.44Å; D431-R576 IonicContact OD1-NH1 2.67Å; D431-R576 PolarHBondContact OD1-NH1 2.95Å; D431-R576 IonicContact OD1-NH2 2.69Å; D431-R576 PolarHBondContact OD1-NH2 3.11Å; D431-R576 IonicContact OD2-CZ 2.74Å; D431-R576 VanDerWaalsContact OD2-CZ 3.3Å; D431-R576 IonicContact OD2-NH1 3.36Å; D431-R576 PolarHBondContact OD2-NH1 3.44Å; D431-R576 VanDerWaalsContact OD2-NH1 3.09Å; D431-R576 IonicContact OD2-NH2 2.63Å; D431-R576 PolarHBondContact OD2-NH2 2.91Å
432R63.3Low52.8Low89 Ų8977.1 Ų77.134%0.33639%0.393SS..Hα-helixtrans-54.5-44.8179.3-173.1-174.9169.388.112.8111.5Q428 V429 L435 S436 E446 I454Q428-R432 WeakPolarHBondContact O-CB 3.37Å; Q428-R432 PolarHBondContact O-N 3.01Å; V429-R432 PolarHBondContact O-N 3.2Å; R432-L435 PolarHBondContact O-N 3.32Å; R432-S436 PolarHBondContact O-N 3.02Å; R432-E446 IonicContact NH2-OE1 2.76Å; R432-I454 HydrophobicContact CG-CG2 3.67Å
433N60.2Low53.3Low75 Ų7576 Ų7640%0.40141%0.407SS..Hα-helixtrans-75-33.2179.9-7415.8000113.3V429 V430 D431 S436 N437V429-N433 PolarHBondContact O-N 3.47Å; V430-N433 PolarHBondContact O-N 2.87Å; D431-N433 VanDerWaalsContact C-N 3.27Å; D431-N433 PolarHBondContact O-N 3.44Å; N433-S436 WeakPolarHBondContact CA-OG 3.39Å; N433-S436 PolarHBondContact O-OG 2.84Å; N433-N437 VanDerWaalsContact O-CG 3.31Å; N433-N437 PolarHBondContact O-N 3.35Å; N433-N437 PolarHBondContact O-OD1 3.37Å
434K57.4Low53.6Low72 Ų7270 Ų7031%0.31339%0.392SS..Hα-helixtrans-66.9-40.5171-78.7-161.8171.2-1670111.6E349 V430 D431 N437 I438E349-K434 IonicContact OE2-NZ 2.6Å; E349-K434 PolarHBondContact OE2-NZ 2.86Å; V430-K434 PolarHBondContact O-N 3.48Å; D431-K434 PolarHBondContact O-N 2.85Å; K434-N437 PolarHBondContact O-N 2.84Å; K434-I438 WeakPolarHBondContact O-CD1 3.35Å; K434-I438 VanDerWaalsContact O-CG1 3.32Å; K434-I438 WeakPolarHBondContact O-CG1 3.38Å; K434-I438 PolarHBondContact O-N 3.2Å
435L60.9Low53.8Low20 Ų2074 Ų7411%0.10541%0.41CS..Hα-helixtrans-64.9-41.7174.4-70.8162000111.6D431 R432 N437 I438 F439 I454 M457 I461D431-L435 HydrophobicContact CB-CD1 4.5Å; D431-L435 WeakPolarHBondContact O-CB 3.35Å; D431-L435 WeakPolarHBondContact O-CD1 3.47Å; D431-L435 VanDerWaalsContact O-CG 3.26Å; D431-L435 WeakPolarHBondContact O-CG 3.39Å; D431-L435 PolarHBondContact O-N 3.32Å; R432-L435 PolarHBondContact O-N 3.32Å; L435-N437 VanDerWaalsContact C-N 3.28Å; L435-N437 PolarHBondContact O-N 3.14Å; L435-I438 PolarHBondContact O-N 3.49Å; L435-I438 VanDerWaalsContact O-N 3.1Å; L435-F439 HydrophobicContact CD2-CE2 4.03Å; L435-F439 WeakPolarHBondContact O-CD2 3.25Å; L435-F439 PolarHBondContact O-N 3.23Å; L435-F439 VanDerWaalsContact O-N 3.09Å; L435-I454 HydrophobicContact CB-CG1 4.18Å; L435-I454 HydrophobicContact CB-CG2 4.35Å; L435-M457 HydrophobicContact CD1-CB 3.62Å; L435-M457 HydrophobicContact CD2-CB 3.88Å; L435-M457 HydrophobicContact CD2-CG 4Å; L435-M457 HydrophobicContact CD2-SD 4.41Å; L435-M457 HydrophobicContact CG-CB 4.41Å; L435-I461 HydrophobicContact CD1-CD1 4.44Å
436S60.2Low54.1Low18 Ų1874.7 Ų74.713%0.12641%0.409CS..Hα-helixtrans-61.7-35.8177.365.80000112.8R432 N433 I438 F439 N440R432-S436 PolarHBondContact O-N 3.02Å; N433-S436 WeakPolarHBondContact CA-OG 3.39Å; N433-S436 PolarHBondContact O-OG 2.84Å; S436-I438 VanDerWaalsContact C-N 3.29Å; S436-I438 PolarHBondContact O-N 2.84Å; S436-F439 PolarHBondContact O-N 3.02Å; S436-N440 PolarHBondContact O-N 3.16Å; S436-N440 PolarHBondContact O-ND2 3.15Å; S436-N440 VanDerWaalsContact O-ND2 3.07Å
437N56Low54.2Low116 Ų11675.4 Ų75.462%0.6242%0.416SS*.Hα-helixtrans-80.1-9.5178.3-64.95.2000113.4N433 K434 L435N433-N437 VanDerWaalsContact O-CG 3.31Å; N433-N437 PolarHBondContact O-N 3.35Å; N433-N437 PolarHBondContact O-OD1 3.37Å; K434-N437 PolarHBondContact O-N 2.84Å; L435-N437 VanDerWaalsContact C-N 3.28Å; L435-N437 PolarHBondContact O-N 3.14Å
438I54.6Low53.5Low122 Ų12278.8 Ų78.863%0.62645%0.445SS*.Hα-helixtrans-89.3-31.1170.2-69.7164.1000110.8K434 L435 S436K434-I438 WeakPolarHBondContact O-CD1 3.35Å; K434-I438 VanDerWaalsContact O-CG1 3.32Å; K434-I438 WeakPolarHBondContact O-CG1 3.38Å; K434-I438 PolarHBondContact O-N 3.2Å; L435-I438 PolarHBondContact O-N 3.49Å; L435-I438 VanDerWaalsContact O-N 3.1Å; S436-I438 VanDerWaalsContact C-N 3.29Å; S436-I438 PolarHBondContact O-N 2.84Å
439F55.7Low52.8Low72 Ų7278.7 Ų78.732%0.31646%0.456SS..Hα-helixtrans-104.3-12.1-175.4-65.9-59.8000115.8L435 S436 M453 I454 M457L435-F439 HydrophobicContact CD2-CE2 4.03Å; L435-F439 WeakPolarHBondContact O-CD2 3.25Å; L435-F439 PolarHBondContact O-N 3.23Å; L435-F439 VanDerWaalsContact O-N 3.09Å; S436-F439 PolarHBondContact O-N 3.02Å; F439-M453 HydrophobicContact CD1-CE 4.34Å; F439-M453 HydrophobicContact CE1-CE 3.56Å; F439-M453 HydrophobicContact CE1-SD 4.38Å; F439-M453 HydrophobicContact CZ-CE 3.68Å; F439-I454 HydrophobicContact CD2-CG1 4.03Å; F439-M457 HydrophobicContact CZ-CE 4.47Å
440N54.7Low52.6Low32 Ų3275.8 Ų75.817%0.17144%0.439CS..SBendtrans-132.3145.3175.3-43-74000111S436 S450S436-N440 PolarHBondContact O-N 3.16Å; S436-N440 PolarHBondContact O-ND2 3.15Å; S436-N440 VanDerWaalsContact O-ND2 3.07Å; N440-S450 WeakPolarHBondContact OD1-CB 3.37Å; N440-S450 PolarHBondContact OD1-OG 2.96Å
441T44.1Very low52.4Low92 Ų9277.7 Ų77.756%0.56444%0.444SS*.  trans-74.3152.21711.60000111.4G443 D444T441-G443 PolarHBondContact O-N 3.47Å; T441-D444 VanDerWaalsContact CB-OD2 3.29Å; T441-D444 WeakPolarHBondContact CB-OD2 3.47Å; T441-D444 PolarHBondContact O-N 3.18Å; T441-D444 VanDerWaalsContact O-N 3.12Å; T441-D444 PolarHBondContact OG1-OD2 2.84Å
442P38.5Very low52.1Low136 Ų13678.6 Ų78.688%0.88346%0.457SS*.THydrogen-bonded Turntrans-61.5108.5178.2-21.633.7000111.5
443G44.1Very low51.7Low83 Ų8378.7 Ų78.786%0.85646%0.462SS*.THydrogen-bonded Turntrans111.8-13-179.600000115.6T441T441-G443 PolarHBondContact O-N 3.47Å
444D45.1Very low51.8Low105 Ų10575.1 Ų75.156%0.56144%0.443SS*.  trans-79138.5178.6-84.3-58.4000112.8T441 E446T441-D444 VanDerWaalsContact CB-OD2 3.29Å; T441-D444 WeakPolarHBondContact CB-OD2 3.47Å; T441-D444 PolarHBondContact O-N 3.18Å; T441-D444 VanDerWaalsContact O-N 3.12Å; T441-D444 PolarHBondContact OG1-OD2 2.84Å; D444-E446 PolarHBondContact O-N 2.81Å
445K44.3Very low52Low204 Ų20474.1 Ų74.189%0.88745%0.448SS*.  trans-71.2122.5177.3-71.3-176.2177.7179.50110.5S447K445-S447 PolarHBondContact O-N 3.23Å; K445-S447 VanDerWaalsContact O-N 3.08Å
446E49.6Very low52Low71 Ų7177.5 Ų77.533%0.33247%0.47SS..  trans-46.4110.8-179.8-72.4-169.8139.800113.3R432 D444 K451R432-E446 IonicContact NH2-OE1 2.76Å; D444-E446 PolarHBondContact O-N 2.81Å; E446-K451 HydrophobicContact CB-CD 4.29Å; E446-K451 HydrophobicContact CB-CG 3.9Å; E446-K451 WeakPolarHBondContact OE2-CE 3.17Å
447S52.6Low52Low68 Ų6880.5 Ų80.548%0.47648%0.483SS..  trans-63.7149.9173.6176.60000111.6K445 A449 S450 K451K445-S447 PolarHBondContact O-N 3.23Å; K445-S447 VanDerWaalsContact O-N 3.08Å; S447-A449 PolarHBondContact O-N 3.39Å; S447-A449 PolarHBondContact OG-N 3.02Å; S447-S450 PolarHBondContact N-OG 3.3Å; S447-S450 PolarHBondContact O-N 2.89Å; S447-S450 VanDerWaalsContact O-N 3.11Å; S447-S450 PolarHBondContact O-OG 2.91Å; S447-K451 WeakPolarHBondContact O-CG 3.33Å; S447-K451 PolarHBondContact O-N 3.15Å
448A43.5Very low52.5Low86 Ų8676.3 Ų76.371%0.71146%0.461SS*.Hα-helixtrans-57.1-32.7173.900000112.3G452A448-G452 PolarHBondContact O-N 3.37Å
449A44.5Very low53Low68 Ų6876.4 Ų76.456%0.56246%0.458SS*.Hα-helixtrans-69.2-43.3175.300000112.4S447 G452 M453S447-A449 PolarHBondContact O-N 3.39Å; S447-A449 PolarHBondContact OG-N 3.02Å; A449-G452 PolarHBondContact O-N 3.2Å; A449-M453 WeakPolarHBondContact O-CG 3.41Å; A449-M453 PolarHBondContact O-N 3.44Å
450S54.1Low53.4Low11 Ų1176.5 Ų76.58%0.07746%0.464CS..Hα-helixtrans-71.1-39.8176.559.40000111.5N440 S447 G452 M453 I454N440-S450 WeakPolarHBondContact OD1-CB 3.37Å; N440-S450 PolarHBondContact OD1-OG 2.96Å; S447-S450 PolarHBondContact N-OG 3.3Å; S447-S450 PolarHBondContact O-N 2.89Å; S447-S450 VanDerWaalsContact O-N 3.11Å; S447-S450 PolarHBondContact O-OG 2.91Å; S450-G452 VanDerWaalsContact C-N 3.26Å; S450-G452 PolarHBondContact O-N 3.39Å; S450-M453 PolarHBondContact O-N 3Å; S450-I454 WeakPolarHBondContact O-CB 3.42Å; S450-I454 VanDerWaalsContact O-CD1 3.29Å; S450-I454 WeakPolarHBondContact O-CD1 3.4Å; S450-I454 WeakPolarHBondContact O-CG1 3.46Å; S450-I454 PolarHBondContact O-N 2.66Å
451K56.2Low54.1Low77 Ų7777.5 Ų77.534%0.33547%0.468SS..Hα-helixtrans-52.5-44.3168.3-73.6-177.8173.4174.70111.7E446 S447 A455 D613E446-K451 HydrophobicContact CB-CD 4.29Å; E446-K451 HydrophobicContact CB-CG 3.9Å; E446-K451 WeakPolarHBondContact OE2-CE 3.17Å; S447-K451 WeakPolarHBondContact O-CG 3.33Å; S447-K451 PolarHBondContact O-N 3.15Å; K451-A455 WeakPolarHBondContact O-CB 3.26Å; K451-A455 PolarHBondContact O-N 3.32Å; K451-A455 VanDerWaalsContact O-N 3.12Å; K451-D613 IonicContact NZ-OD2 3.82Å; K451-D613 PolarHBondContact NZ-OD2 2.96Å
452G55.3Low55.4Low33 Ų3376.5 Ų76.534%0.3446%0.456SS..Hα-helixtrans-63.7-53176.100000113.2A448 A449 S450 I454 A455 V456A448-G452 PolarHBondContact O-N 3.37Å; A449-G452 PolarHBondContact O-N 3.2Å; S450-G452 VanDerWaalsContact C-N 3.26Å; S450-G452 PolarHBondContact O-N 3.39Å; G452-I454 VanDerWaalsContact C-N 3.35Å; G452-I454 PolarHBondContact O-N 3.5Å; G452-A455 PolarHBondContact O-N 3.03Å; G452-V456 WeakPolarHBondContact O-CG2 3.42Å; G452-V456 PolarHBondContact O-N 3.38Å
453M53.9Low57.1Low91 Ų9173 Ų7345%0.44843%0.428SS..Hα-helixtrans-60.6-40.9178.7-73.5-175.470.300112.8F439 A449 S450 A455 V456 M457F439-M453 HydrophobicContact CD1-CE 4.34Å; F439-M453 HydrophobicContact CE1-CE 3.56Å; F439-M453 HydrophobicContact CE1-SD 4.38Å; F439-M453 HydrophobicContact CZ-CE 3.68Å; A449-M453 WeakPolarHBondContact O-CG 3.41Å; A449-M453 PolarHBondContact O-N 3.44Å; S450-M453 PolarHBondContact O-N 3Å; M453-A455 VanDerWaalsContact C-N 3.34Å; M453-A455 PolarHBondContact O-N 3.41Å; M453-V456 PolarHBondContact O-N 3.1Å; M453-M457 VanDerWaalsContact O-CB 3.3Å; M453-M457 WeakPolarHBondContact O-CB 3.39Å; M453-M457 VanDerWaalsContact O-CG 3.22Å; M453-M457 WeakPolarHBondContact O-CG 3.29Å; M453-M457 PolarHBondContact O-N 3.29Å
454I63Low58.6Low0 Ų069.4 Ų69.40%039%0.39CS..Hα-helixtrans-63-41.9176.6-67.6161.8000110.6R432 L435 F439 S450 G452 T458R432-I454 HydrophobicContact CG-CG2 3.67Å; L435-I454 HydrophobicContact CB-CG1 4.18Å; L435-I454 HydrophobicContact CB-CG2 4.35Å; F439-I454 HydrophobicContact CD2-CG1 4.03Å; S450-I454 WeakPolarHBondContact O-CB 3.42Å; S450-I454 VanDerWaalsContact O-CD1 3.29Å; S450-I454 WeakPolarHBondContact O-CD1 3.4Å; S450-I454 WeakPolarHBondContact O-CG1 3.46Å; S450-I454 PolarHBondContact O-N 2.66Å; G452-I454 VanDerWaalsContact C-N 3.35Å; G452-I454 PolarHBondContact O-N 3.5Å; I454-T458 WeakPolarHBondContact O-CB 3.19Å; I454-T458 PolarHBondContact O-N 3.45Å; I454-T458 PolarHBondContact O-OG1 3.36Å
455A60.5Low60.5Low51 Ų5166.2 Ų66.242%0.42137%0.37SS..Hα-helixtrans-65.1-46.2175.900000112.2K451 G452 M453 T458 F459K451-A455 WeakPolarHBondContact O-CB 3.26Å; K451-A455 PolarHBondContact O-N 3.32Å; K451-A455 VanDerWaalsContact O-N 3.12Å; G452-A455 PolarHBondContact O-N 3.03Å; M453-A455 VanDerWaalsContact C-N 3.34Å; M453-A455 PolarHBondContact O-N 3.41Å; A455-T458 PolarHBondContact O-N 3.31Å; A455-F459 WeakPolarHBondContact O-CB 3.43Å; A455-F459 PolarHBondContact O-N 3.37Å
456V61.6Low62.1Low91 Ų9158 Ų5855%0.55234%0.339SS*.Hα-helixtrans-63.3-46.3177.5172.50000111.4G452 M453 T458 F459 V460G452-V456 WeakPolarHBondContact O-CG2 3.42Å; G452-V456 PolarHBondContact O-N 3.38Å; M453-V456 PolarHBondContact O-N 3.1Å; V456-T458 VanDerWaalsContact C-N 3.32Å; V456-T458 PolarHBondContact O-N 3.33Å; V456-F459 PolarHBondContact O-N 3.2Å; V456-V460 HydrophobicContact CG1-CG2 4.33Å; V456-V460 WeakPolarHBondContact O-CG2 3.4Å; V456-V460 PolarHBondContact O-N 3.49Å
457M61.2Low63.6Low82 Ų8258.6 Ų58.640%0.40434%0.343SS..Hα-helixtrans-58.4-43.6175.8-75.9-80.6-179.400111.6L435 F439 M453 V460 I461L435-M457 HydrophobicContact CD1-CB 3.62Å; L435-M457 HydrophobicContact CD2-CB 3.88Å; L435-M457 HydrophobicContact CD2-CG 4Å; L435-M457 HydrophobicContact CD2-SD 4.41Å; L435-M457 HydrophobicContact CG-CB 4.41Å; F439-M457 HydrophobicContact CZ-CE 4.47Å; M453-M457 VanDerWaalsContact O-CB 3.3Å; M453-M457 WeakPolarHBondContact O-CB 3.39Å; M453-M457 VanDerWaalsContact O-CG 3.22Å; M453-M457 WeakPolarHBondContact O-CG 3.29Å; M453-M457 PolarHBondContact O-N 3.29Å; M457-V460 PolarHBondContact O-N 2.69Å; M457-I461 WeakPolarHBondContact O-CB 3.38Å; M457-I461 WeakPolarHBondContact O-CD1 3.28Å; M457-I461 VanDerWaalsContact O-CG1 3.22Å; M457-I461 WeakPolarHBondContact O-CG1 3.41Å; M457-I461 PolarHBondContact O-N 3.08Å
458T64.7Low65.1Low27 Ų2755.4 Ų55.417%0.16632%0.321CS..Hα-helixtrans-67.6-37.2178.6-54.90000111.6Q428 I454 A455 V456 F462Q428-T458 HydrophobicContact CB-CG2 4.38Å; I454-T458 WeakPolarHBondContact O-CB 3.19Å; I454-T458 PolarHBondContact O-N 3.45Å; I454-T458 PolarHBondContact O-OG1 3.36Å; A455-T458 PolarHBondContact O-N 3.31Å; V456-T458 VanDerWaalsContact C-N 3.32Å; V456-T458 PolarHBondContact O-N 3.33Å; T458-F462 WeakPolarHBondContact O-CB 3.49Å; T458-F462 PolarHBondContact O-N 3.31Å
459F65.4Low67Low125 Ų12551.5 Ų51.555%0.54829%0.288SS..Hα-helixtrans-65.4-46.7174.4-178.9-93000112A455 V456 I461 F462 H463A455-F459 WeakPolarHBondContact O-CB 3.43Å; A455-F459 PolarHBondContact O-N 3.37Å; V456-F459 PolarHBondContact O-N 3.2Å; F459-I461 PolarHBondContact O-N 3.48Å; F459-F462 PolarHBondContact O-N 3.27Å; F459-F462 VanDerWaalsContact O-N 3.17Å; F459-H463 AromaticContact CD2-CD2 3.68Å; F459-H463 AromaticContact CD2-NE2 3.97Å; F459-H463 AromaticContact CE1-CD2 3.89Å; F459-H463 AromaticContact CE2-CD2 3.36Å; F459-H463 WeakPolarHBondContact CE2-CD2 3.41Å; F459-H463 AromaticContact CE2-NE2 3.34Å; F459-H463 VanDerWaalsContact CE2-NE2 3.34Å; F459-H463 WeakPolarHBondContact CE2-NE2 3.47Å; F459-H463 AromaticContact CZ-CD2 3.48Å; F459-H463 VanDerWaalsContact CZ-CD2 3.48Å; F459-H463 WeakPolarHBondContact CZ-CD2 3.33Å; F459-H463 AromaticContact CZ-NE2 3.67Å; F459-H463 PolarHBondContact O-CD2 2.78Å; F459-H463 PolarHBondContact O-N 3.01Å
460V65Low68.7Low74 Ų7451.6 Ų51.645%0.44828%0.282SS..Hα-helixtrans-62.4-42.2176.9171.20000111.3V456 M457 F462 H463 S464V456-V460 HydrophobicContact CG1-CG2 4.33Å; V456-V460 WeakPolarHBondContact O-CG2 3.4Å; V456-V460 PolarHBondContact O-N 3.49Å; M457-V460 PolarHBondContact O-N 2.69Å; V460-F462 VanDerWaalsContact C-N 3.31Å; V460-F462 PolarHBondContact O-N 3.06Å; V460-H463 PolarHBondContact O-N 3.09Å; V460-S464 WeakPolarHBondContact O-CA 3.43Å; V460-S464 WeakPolarHBondContact O-CB 3.47Å; V460-S464 PolarHBondContact O-N 2.93Å
461I68.5Low70.1Confident52 Ų5251.4 Ų51.427%0.26728%0.281SS..Hα-helixtrans-60.9-40.8174.5-69.6165.2000110.9L435 M457 F459 S464 L573L435-I461 HydrophobicContact CD1-CD1 4.44Å; M457-I461 WeakPolarHBondContact O-CB 3.38Å; M457-I461 WeakPolarHBondContact O-CD1 3.28Å; M457-I461 VanDerWaalsContact O-CG1 3.22Å; M457-I461 WeakPolarHBondContact O-CG1 3.41Å; M457-I461 PolarHBondContact O-N 3.08Å; F459-I461 PolarHBondContact O-N 3.48Å; I461-S464 WeakPolarHBondContact O-CB 3.46Å; I461-S464 PolarHBondContact O-OG 3.27Å; I461-L573 HydrophobicContact CG2-CD2 4.26Å
462F72.4Confident71.6Confident71 Ų7148 Ų4831%0.31127%0.267SS..Hα-helixtrans-71.2-38.9179.4-172.5-101.8000113.8Q428 T458 F459 V460 Y465 R501Q428-F462 HydrophobicContact CG-CD2 4.48Å; T458-F462 WeakPolarHBondContact O-CB 3.49Å; T458-F462 PolarHBondContact O-N 3.31Å; F459-F462 PolarHBondContact O-N 3.27Å; F459-F462 VanDerWaalsContact O-N 3.17Å; V460-F462 VanDerWaalsContact C-N 3.31Å; V460-F462 PolarHBondContact O-N 3.06Å; F462-Y465 WeakPolarHBondContact O-CD1 3.41Å; F462-R501 VanDerWaalsContact CE2-NH1 3.31Å
463H73.3Confident72.8Confident63 Ų6347.8 Ų47.829%0.29226%0.257SS..Hα-helixtrans-88.8-3.7179.5-78.2-87.8000114.4F459 V460 Y465 S466F459-H463 AromaticContact CD2-CD2 3.68Å; F459-H463 AromaticContact CD2-NE2 3.97Å; F459-H463 AromaticContact CE1-CD2 3.89Å; F459-H463 AromaticContact CE2-CD2 3.36Å; F459-H463 WeakPolarHBondContact CE2-CD2 3.41Å; F459-H463 AromaticContact CE2-NE2 3.34Å; F459-H463 VanDerWaalsContact CE2-NE2 3.34Å; F459-H463 WeakPolarHBondContact CE2-NE2 3.47Å; F459-H463 AromaticContact CZ-CD2 3.48Å; F459-H463 VanDerWaalsContact CZ-CD2 3.48Å; F459-H463 WeakPolarHBondContact CZ-CD2 3.33Å; F459-H463 AromaticContact CZ-NE2 3.67Å; F459-H463 PolarHBondContact O-CD2 2.78Å; F459-H463 PolarHBondContact O-N 3.01Å; V460-H463 PolarHBondContact O-N 3.09Å; H463-Y465 PolarHBondContact O-N 3.44Å; H463-S466 WeakPolarHBondContact O-CB 3.45Å; H463-S466 PolarHBondContact O-N 3.08Å; H463-S466 PolarHBondContact O-OG 3.49Å
464S77Confident74.1Confident8 Ų845.9 Ų45.96%0.05625%0.25CS..Hα-helixtrans-45.8-34.8179.356.80000115.3V460 I461 S466 I467 A468 L573V460-S464 WeakPolarHBondContact O-CA 3.43Å; V460-S464 WeakPolarHBondContact O-CB 3.47Å; V460-S464 PolarHBondContact O-N 2.93Å; I461-S464 WeakPolarHBondContact O-CB 3.46Å; I461-S464 PolarHBondContact O-OG 3.27Å; S464-S466 PolarHBondContact O-N 3.24Å; S464-I467 WeakPolarHBondContact O-CB 3.32Å; S464-I467 PolarHBondContact O-N 2.63Å; S464-I467 VanDerWaalsContact O-N 3.09Å; S464-A468 PolarHBondContact O-N 3.14Å; S464-L573 WeakPolarHBondContact OG-CD1 3.26Å
465Y83.5Confident75.1Confident37 Ų3746.5 Ų46.515%0.14525%0.253CS..Hα-helixtrans-61.2-31.317778.7-85.6000113.2F462 H463 A468 L469 T500 R501F462-Y465 WeakPolarHBondContact O-CD1 3.41Å; H463-Y465 PolarHBondContact O-N 3.44Å; Y465-A468 PolarHBondContact O-N 3.4Å; Y465-L469 HydrophobicContact CD2-CD1 3.95Å; Y465-L469 HydrophobicContact CE2-CD1 4.26Å; Y465-L469 WeakPolarHBondContact O-CG 3.26Å; Y465-L469 PolarHBondContact O-N 3.43Å; Y465-T500 VanDerWaalsContact CE2-OG1 3.29Å; Y465-T500 WeakPolarHBondContact CE2-OG1 3.35Å; Y465-T500 PolarHBondContact OH-OG1 3.28Å; Y465-R501 HydrophobicContact CD1-CB 3.83Å; Y465-R501 HydrophobicContact CD1-CG 3.74Å; Y465-R501 HydrophobicContact CD2-CB 4.12Å; Y465-R501 HydrophobicContact CE1-CB 3.82Å; Y465-R501 HydrophobicContact CE1-CG 4.15Å; Y465-R501 HydrophobicContact CE2-CB 4.13Å; Y465-R501 HydrophobicContact CG-CB 3.99Å; Y465-R501 HydrophobicContact CG-CG 4.03Å
466S78.1Confident76.1Confident33 Ų3344 Ų4423%0.23123%0.233CC..Hα-helixtrans-69.8-34.5175.465.10000111.9H463 S464 A468 L469 T470H463-S466 WeakPolarHBondContact O-CB 3.45Å; H463-S466 PolarHBondContact O-N 3.08Å; H463-S466 PolarHBondContact O-OG 3.49Å; S464-S466 PolarHBondContact O-N 3.24Å; S466-A468 VanDerWaalsContact C-N 3.34Å; S466-L469 PolarHBondContact O-N 3.42Å; S466-T470 PolarHBondContact O-N 3.18Å; S466-T470 PolarHBondContact O-OG1 3.44Å; S466-T470 VanDerWaalsContact O-OG1 3.13Å
467I82.3Confident76.8Confident82 Ų8241 Ų4142%0.42121%0.213SC..Hα-helixtrans-65.3-39.6175.5-53.6177.2000110.3S464 T470 A471 P566S464-I467 WeakPolarHBondContact O-CB 3.32Å; S464-I467 PolarHBondContact O-N 2.63Å; S464-I467 VanDerWaalsContact O-N 3.09Å; I467-T470 WeakPolarHBondContact CA-OG1 3.33Å; I467-T470 PolarHBondContact O-N 3.48Å; I467-T470 PolarHBondContact O-OG1 3.47Å; I467-A471 WeakPolarHBondContact O-CB 3.48Å; I467-A471 PolarHBondContact O-N 2.92Å; I467-P566 HydrophobicContact CG2-CB 4.36Å; I467-P566 HydrophobicContact CG2-CG 4.3Å
468A82.3Confident77.5Confident1 Ų141.9 Ų41.91%0.00822%0.219CC..Hα-helixtrans-67.2-39.5174.100000112.6S464 Y465 S466 A471 M472 P566 L570S464-A468 PolarHBondContact O-N 3.14Å; Y465-A468 PolarHBondContact O-N 3.4Å; S466-A468 VanDerWaalsContact C-N 3.34Å; A468-A471 PolarHBondContact O-N 2.79Å; A468-M472 WeakPolarHBondContact O-CG 3.32Å; A468-M472 PolarHBondContact O-N 3.29Å; A468-M472 VanDerWaalsContact O-N 3.1Å; A468-P566 HydrophobicContact CB-CB 4.25Å; A468-L570 HydrophobicContact CB-CB 4.35Å; A468-L570 HydrophobicContact CB-CD1 4.04Å; A468-L570 HydrophobicContact CB-CD2 4.21Å; A468-L570 HydrophobicContact CB-CG 4.45Å
469L85.1Confident77.9Confident4 Ų443 Ų432%0.02122%0.221CC..Hα-helixtrans-63.2-43.3173.3-73.2165.1000111.9Y465 S466 M472 M473 T491 L494Y465-L469 HydrophobicContact CD2-CD1 3.95Å; Y465-L469 HydrophobicContact CE2-CD1 4.26Å; Y465-L469 WeakPolarHBondContact O-CG 3.26Å; Y465-L469 PolarHBondContact O-N 3.43Å; S466-L469 PolarHBondContact O-N 3.42Å; L469-M472 HydrophobicContact CD2-CE 3.79Å; L469-M472 PolarHBondContact O-N 3.44Å; L469-M473 PolarHBondContact O-N 3.17Å; L469-M473 VanDerWaalsContact O-N 3.09Å; L469-T491 HydrophobicContact CB-CG2 4.4Å; L469-T491 HydrophobicContact CD2-CG2 4.36Å; L469-L494 HydrophobicContact CD2-CB 3.84Å; L469-L494 HydrophobicContact CD2-CD1 3.7Å; L469-L494 HydrophobicContact CD2-CG 4.42Å
470T80.4Confident78.4Confident70 Ų7039.6 Ų39.643%0.42921%0.206SC..Hα-helixtrans-67.4-35.417550.10000112.3S466 I467 M472 M473 T474S466-T470 PolarHBondContact O-N 3.18Å; S466-T470 PolarHBondContact O-OG1 3.44Å; S466-T470 VanDerWaalsContact O-OG1 3.13Å; I467-T470 WeakPolarHBondContact CA-OG1 3.33Å; I467-T470 PolarHBondContact O-N 3.48Å; I467-T470 PolarHBondContact O-OG1 3.47Å; T470-M472 VanDerWaalsContact C-N 3.35Å; T470-M472 PolarHBondContact O-N 2.96Å; T470-M473 WeakPolarHBondContact O-CB 3.34Å; T470-M473 PolarHBondContact O-N 3.01Å; T470-T474 PolarHBondContact O-N 3.11Å; T470-T474 PolarHBondContact O-OG1 3.25Å; T470-T474 VanDerWaalsContact O-OG1 3.09Å
471A83Confident78.9Confident8 Ų836.7 Ų36.77%0.06619%0.189CC..Hα-helixtrans-62.6-40176.400000112.2I467 A468 T474 W475 L563 P566I467-A471 WeakPolarHBondContact O-CB 3.48Å; I467-A471 PolarHBondContact O-N 2.92Å; A468-A471 PolarHBondContact O-N 2.79Å; A471-T474 WeakPolarHBondContact CA-OG1 3.5Å; A471-T474 PolarHBondContact O-N 3.05Å; A471-T474 PolarHBondContact O-OG1 2.88Å; A471-W475 WeakPolarHBondContact O-CB 3.37Å; A471-W475 PolarHBondContact O-N 2.95Å; A471-L563 HydrophobicContact CB-CD2 4.43Å; A471-P566 HydrophobicContact CB-CB 4.46Å; A471-P566 HydrophobicContact CB-CG 4.27Å
472M86.2Confident79.5Confident6 Ų636.9 Ų36.93%0.0319%0.19CC..Hα-helixtrans-66.7-40.3172.6-68.4-173-60.800112.3A468 L469 T470 W475 A476 L487 I511A468-M472 WeakPolarHBondContact O-CG 3.32Å; A468-M472 PolarHBondContact O-N 3.29Å; A468-M472 VanDerWaalsContact O-N 3.1Å; L469-M472 HydrophobicContact CD2-CE 3.79Å; L469-M472 PolarHBondContact O-N 3.44Å; T470-M472 VanDerWaalsContact C-N 3.35Å; T470-M472 PolarHBondContact O-N 2.96Å; M472-W475 PolarHBondContact O-N 2.81Å; M472-A476 PolarHBondContact O-N 3.08Å; M472-L487 HydrophobicContact CG-CD2 4.37Å; M472-L487 HydrophobicContact SD-CD2 4.18Å; M472-I511 HydrophobicContact CE-CD1 4.26Å; M472-I511 HydrophobicContact SD-CD1 4.16Å; M472-I511 HydrophobicContact SD-CG1 4.42Å; M472-I511 HydrophobicContact SD-CG2 3.51Å; M472-I511 VanDerWaalsContact SD-CG2 3.51Å
473M82.1Confident80Confident28 Ų2836.4 Ų36.414%0.13819%0.188CC..Hα-helixtrans-59.6-46.4173.4-160.191.189.600111.3L469 T470 A476 L477 L488 T491L469-M473 PolarHBondContact O-N 3.17Å; L469-M473 VanDerWaalsContact O-N 3.09Å; T470-M473 WeakPolarHBondContact O-CB 3.34Å; T470-M473 PolarHBondContact O-N 3.01Å; M473-A476 PolarHBondContact O-N 2.54Å; M473-L477 HydrophobicContact CG-CD1 4.3Å; M473-L477 WeakPolarHBondContact O-CG 3.4Å; M473-L477 PolarHBondContact O-N 3.46Å; M473-L477 VanDerWaalsContact O-N 3.13Å; M473-L488 HydrophobicContact CG-CD1 4.35Å; M473-L488 HydrophobicContact SD-CD1 3.69Å; M473-T491 HydrophobicContact CB-CG2 4.32Å; M473-T491 HydrophobicContact CE-CG2 3.66Å; M473-T491 HydrophobicContact SD-CG2 3.8Å
474T80.4Confident80.2Confident50 Ų5033.4 Ų33.431%0.30718%0.175SC..Hα-helixtrans-67.9-34178.348.80000112.6T470 A471 L477 L478T470-T474 PolarHBondContact O-N 3.11Å; T470-T474 PolarHBondContact O-OG1 3.25Å; T470-T474 VanDerWaalsContact O-OG1 3.09Å; A471-T474 WeakPolarHBondContact CA-OG1 3.5Å; A471-T474 PolarHBondContact O-N 3.05Å; A471-T474 PolarHBondContact O-OG1 2.88Å; T474-L477 PolarHBondContact O-N 2.97Å; T474-L478 VanDerWaalsContact O-CB 3.29Å; T474-L478 WeakPolarHBondContact O-CB 3.33Å; T474-L478 WeakPolarHBondContact O-CD1 3.36Å; T474-L478 WeakPolarHBondContact O-CG 3.49Å; T474-L478 PolarHBondContact O-N 3.38Å
475W85.2Confident80.5Confident13 Ų1334.7 Ų34.75%0.04918%0.18CC..Hα-helixtrans-60.8-46.4172.5-170.3-58.8000110.9A471 M472 L477 L478 Y479 L487 I515 L518 L519 Q560 L563 T564A471-W475 WeakPolarHBondContact O-CB 3.37Å; A471-W475 PolarHBondContact O-N 2.95Å; M472-W475 PolarHBondContact O-N 2.81Å; W475-L477 VanDerWaalsContact C-N 3.28Å; W475-L477 PolarHBondContact O-N 3.35Å; W475-L478 PolarHBondContact O-N 3.27Å; W475-Y479 HydrophobicContact CD2-CD2 4.47Å; W475-Y479 HydrophobicContact CG-CD2 4.31Å; W475-Y479 PolarHBondContact O-N 3.07Å; W475-L487 HydrophobicContact CB-CD1 4.25Å; W475-L487 HydrophobicContact CG-CD1 3.98Å; W475-I515 HydrophobicContact CH2-CG2 4.47Å; W475-I515 HydrophobicContact CZ3-CG2 4.43Å; W475-L518 HydrophobicContact CZ2-CB 4.35Å; W475-L519 HydrophobicContact CH2-CD2 4.44Å; W475-L519 HydrophobicContact CH2-CG 4.48Å; W475-Q560 HydrophobicContact CH2-CB 3.57Å; W475-Q560 HydrophobicContact CH2-CG 3.64Å; W475-Q560 HydrophobicContact CZ2-CB 4.25Å; W475-Q560 HydrophobicContact CZ2-CG 3.79Å; W475-Q560 HydrophobicContact CZ3-CB 3.87Å; W475-Q560 HydrophobicContact CZ3-CG 4.1Å; W475-Q560 WeakPolarHBondContact CZ3-O 3.49Å; W475-L563 HydrophobicContact CB-CD1 4.42Å; W475-L563 HydrophobicContact CE3-CB 3.78Å; W475-L563 HydrophobicContact CE3-CD1 4.11Å; W475-L563 HydrophobicContact CZ3-CB 4.14Å; W475-T564 HydrophobicContact CH2-CG2 4.26Å; W475-T564 HydrophobicContact CZ3-CG2 3.77Å
476A80.7Confident80.7Confident0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-63.9-30.3179.500000114.1M472 M473 G484 L487 L488 Y699M472-A476 PolarHBondContact O-N 3.08Å; M473-A476 PolarHBondContact O-N 2.54Å; A476-G484 WeakPolarHBondContact CB-O 3.48Å; A476-L487 HydrophobicContact CB-CB 4.21Å; A476-L488 HydrophobicContact CB-CB 3.94Å; A476-L488 HydrophobicContact CB-CD1 4.24Å; A476-Y699 WeakPolarHBondContact O-CE2 3.41Å; A476-Y699 PolarHBondContact O-OH 3.19Å
477L76.7Confident81Confident28 Ų2835.6 Ų35.615%0.14718%0.184CC..Hα-helixtrans-85.2-31.9178-67170.5000113.1M473 T474 W475 Y699 F739 L742 I746M473-L477 HydrophobicContact CG-CD1 4.3Å; M473-L477 WeakPolarHBondContact O-CG 3.4Å; M473-L477 PolarHBondContact O-N 3.46Å; M473-L477 VanDerWaalsContact O-N 3.13Å; T474-L477 PolarHBondContact O-N 2.97Å; W475-L477 VanDerWaalsContact C-N 3.28Å; W475-L477 PolarHBondContact O-N 3.35Å; L477-Y699 HydrophobicContact CD2-CE2 4.5Å; L477-F739 HydrophobicContact CB-CD2 4.4Å; L477-F739 HydrophobicContact CD1-CD2 4.37Å; L477-F739 HydrophobicContact CD1-CE2 4.32Å; L477-L742 HydrophobicContact CD2-CD2 3.77Å; L477-I746 HydrophobicContact CD1-CD1 4.23Å
478L75.2Confident81.1Confident100 Ų10031.9 Ų31.952%0.52417%0.165SC..Hα-helixtrans-80.9-34.1178.3-71.4168.4000113T474 W475 V559 L563T474-L478 VanDerWaalsContact O-CB 3.29Å; T474-L478 WeakPolarHBondContact O-CB 3.33Å; T474-L478 WeakPolarHBondContact O-CD1 3.36Å; T474-L478 WeakPolarHBondContact O-CG 3.49Å; T474-L478 PolarHBondContact O-N 3.38Å; W475-L478 PolarHBondContact O-N 3.27Å; L478-V559 HydrophobicContact CD1-CG1 4.45Å; L478-L563 HydrophobicContact CD1-CD1 4.14Å
479Y73.6Confident81.1Confident51 Ų5135.6 Ų35.620%0.218%0.184CC..SBendtrans-119.273.3-175.6-60.7-66.4000110.7W475 S481 I556 V559 Q560W475-Y479 HydrophobicContact CD2-CD2 4.47Å; W475-Y479 HydrophobicContact CG-CD2 4.31Å; W475-Y479 PolarHBondContact O-N 3.07Å; Y479-S481 PolarHBondContact O-N 3.25Å; Y479-S481 PolarHBondContact O-OG 2.92Å; Y479-I556 HydrophobicContact CE1-CG1 4.38Å; Y479-I556 HydrophobicContact CE1-CG2 3.98Å; Y479-V559 HydrophobicContact CE2-CG1 4.36Å; Y479-V559 WeakPolarHBondContact OH-CG1 3.22Å; Y479-Q560 HydrophobicContact CD2-CG 4.28Å; Y479-Q560 HydrophobicContact CE2-CG 3.58Å
480H74.8Confident81.1Confident53 Ų5338 Ų3825%0.24520%0.197CC..  trans-58.2107-177.5179.6-83.8000111.9Y699 F703H480-Y699 AromaticContact CD2-CZ 3.81Å; H480-Y699 AromaticContact NE2-CE1 4Å; H480-F703 AromaticContact CE1-CD1 3.78Å; H480-F703 AromaticContact CE1-CD2 3.72Å; H480-F703 AromaticContact CE1-CE1 3.6Å; H480-F703 AromaticContact CE1-CE2 3.55Å; H480-F703 AromaticContact CE1-CG 3.84Å; H480-F703 AromaticContact CE1-CZ 3.48Å; H480-F703 VanDerWaalsContact CE1-CZ 3.48Å; H480-F703 WeakPolarHBondContact CE1-CZ 3.18Å; H480-F703 AromaticContact NE2-CD2 3.8Å; H480-F703 AromaticContact NE2-CE2 3.46Å; H480-F703 WeakPolarHBondContact NE2-CE2 3.36Å; H480-F703 AromaticContact NE2-CZ 3.74Å
481S77Confident81.2Confident13 Ų1334.7 Ų34.79%0.09118%0.176CC..SBendtrans-161.2162.7-17457.50000110Y479 F483 G484 L485 G543Y479-S481 PolarHBondContact O-N 3.25Å; Y479-S481 PolarHBondContact O-OG 2.92Å; S481-F483 PolarHBondContact O-N 3.06Å; S481-G484 WeakPolarHBondContact O-CA 3.37Å; S481-G484 PolarHBondContact O-N 2.99Å; S481-G484 PolarHBondContact OG-N 2.8Å; S481-L485 PolarHBondContact O-N 2.82Å; S481-G543 VanDerWaalsContact CB-O 3.29Å; S481-G543 WeakPolarHBondContact CB-O 3.36Å
482I81.3Confident81Confident56 Ų5635.8 Ų35.829%0.28718%0.183SC..Hα-helixtrans-60.5-31.8172.8-65.1-174.8000110.9L485 I486 F541 V542 F703I482-L485 WeakPolarHBondContact O-CB 3.47Å; I482-L485 PolarHBondContact O-N 3.19Å; I482-I486 PolarHBondContact O-N 3.36Å; I482-F541 HydrophobicContact CD1-CD1 4.22Å; I482-F541 HydrophobicContact CD1-CE1 4.07Å; I482-F541 WeakPolarHBondContact CD1-O 3.35Å; I482-V542 PolarHBondContact N-O 2.91Å; I482-F703 HydrophobicContact CG1-CE1 3.73Å; I482-F703 HydrophobicContact CG1-CZ 4.06Å
483F81.2Confident80.8Confident60 Ų6039.4 Ų39.426%0.26320%0.202SC..Hα-helixtrans-69.6-35173.7-59.7-56.3000112.6S481 I486 Y514 L518 V542 I544S481-F483 PolarHBondContact O-N 3.06Å; F483-I486 PolarHBondContact O-N 3.43Å; F483-Y514 WeakPolarHBondContact CA-OH 3.43Å; F483-Y514 WeakPolarHBondContact CB-OH 3.2Å; F483-Y514 WeakPolarHBondContact CD1-OH 3.42Å; F483-Y514 PolarHBondContact O-OH 2.77Å; F483-L518 HydrophobicContact CB-CD2 4.21Å; F483-L518 HydrophobicContact CD2-CD2 4.41Å; F483-L518 HydrophobicContact CG-CD2 4.26Å; F483-V542 HydrophobicContact CD2-CG1 4.03Å; F483-V542 HydrophobicContact CE2-CG1 3.5Å; F483-V542 VanDerWaalsContact CE2-CG1 3.5Å; F483-V542 HydrophobicContact CZ-CG1 4.14Å; F483-I544 HydrophobicContact CD2-CD1 4.02Å; F483-I544 HydrophobicContact CE2-CD1 3.73Å
484G79Confident80.9Confident1 Ų138.3 Ų38.31%0.0120%0.197CC..Hα-helixtrans-62.3-43.6169.100000112.9A476 S481 I486 L487 L488A476-G484 WeakPolarHBondContact CB-O 3.48Å; S481-G484 WeakPolarHBondContact O-CA 3.37Å; S481-G484 PolarHBondContact O-N 2.99Å; S481-G484 PolarHBondContact OG-N 2.8Å; G484-I486 VanDerWaalsContact C-N 3.25Å; G484-I486 PolarHBondContact O-N 2.87Å; G484-L487 WeakPolarHBondContact O-CB 3.28Å; G484-L487 PolarHBondContact O-N 2.79Å; G484-L488 PolarHBondContact O-N 2.94Å
485L83Confident80.9Confident34 Ų3438.9 Ų38.918%0.17819%0.193CC..Hα-helixtrans-56.7-37.6177.6-179.359.6000112.6S481 I482 L488 I489 Y699S481-L485 PolarHBondContact O-N 2.82Å; I482-L485 WeakPolarHBondContact O-CB 3.47Å; I482-L485 PolarHBondContact O-N 3.19Å; L485-L488 HydrophobicContact CD1-CD2 4.49Å; L485-L488 PolarHBondContact O-N 3.2Å; L485-I489 HydrophobicContact CD1-CD1 3.86Å; L485-I489 HydrophobicContact CD1-CG1 4.07Å; L485-I489 HydrophobicContact CD2-CD1 4.5Å; L485-I489 HydrophobicContact CG-CD1 3.83Å; L485-I489 HydrophobicContact CG-CG1 4.43Å; L485-I489 WeakPolarHBondContact O-CG1 3.12Å; L485-I489 PolarHBondContact O-N 3.44Å; L485-Y699 HydrophobicContact CB-CE1 3.95Å; L485-Y699 HydrophobicContact CD1-CD1 3.85Å; L485-Y699 HydrophobicContact CD1-CE1 3.93Å; L485-Y699 HydrophobicContact CG-CE1 4.47Å
486I86.1Confident80.5Confident86 Ų8642.6 Ų42.644%0.44121%0.213SC..Hα-helixtrans-62.7-42.6176.1-65.2168.4000111I482 F483 G484 L490I482-I486 PolarHBondContact O-N 3.36Å; F483-I486 PolarHBondContact O-N 3.43Å; G484-I486 VanDerWaalsContact C-N 3.25Å; G484-I486 PolarHBondContact O-N 2.87Å; I486-L490 WeakPolarHBondContact O-CB 3.46Å; I486-L490 PolarHBondContact O-N 2.87Å
487L85.6Confident80.4Confident3 Ų347.5 Ų47.52%0.01624%0.235CC..Hα-helixtrans-66.7-37.4175.9-65.8174.2000112.2M472 W475 A476 G484 T491 Y514M472-L487 HydrophobicContact CG-CD2 4.37Å; M472-L487 HydrophobicContact SD-CD2 4.18Å; W475-L487 HydrophobicContact CB-CD1 4.25Å; W475-L487 HydrophobicContact CG-CD1 3.98Å; A476-L487 HydrophobicContact CB-CB 4.21Å; G484-L487 WeakPolarHBondContact O-CB 3.28Å; G484-L487 PolarHBondContact O-N 2.79Å; L487-T491 WeakPolarHBondContact O-CB 3.44Å; L487-T491 PolarHBondContact O-N 3.04Å; L487-T491 PolarHBondContact O-OG1 3.32Å; L487-Y514 HydrophobicContact CD2-CD1 4.18Å; L487-Y514 HydrophobicContact CD2-CE1 4Å; L487-Y514 HydrophobicContact CG-CE1 4.18Å
488L83.3Confident80.2Confident4 Ų456.4 Ų56.42%0.02127%0.266CS..Hα-helixtrans-63.5-53.3176.3-166.575.2000111.2M473 A476 G484 L485 L490 T491 C492 Y699M473-L488 HydrophobicContact CG-CD1 4.35Å; M473-L488 HydrophobicContact SD-CD1 3.69Å; A476-L488 HydrophobicContact CB-CB 3.94Å; A476-L488 HydrophobicContact CB-CD1 4.24Å; G484-L488 PolarHBondContact O-N 2.94Å; L485-L488 HydrophobicContact CD1-CD2 4.49Å; L485-L488 PolarHBondContact O-N 3.2Å; L488-L490 PolarHBondContact O-N 3.31Å; L488-T491 PolarHBondContact O-N 3.4Å; L488-C492 PolarHBondContact O-N 3.44Å; L488-C492 PolarHBondContact O-SG 3.31Å; L488-C492 VanDerWaalsContact O-SG 3.36Å; L488-Y699 HydrophobicContact CD2-CD1 4.41Å; L488-Y699 HydrophobicContact CD2-CD2 3.74Å; L488-Y699 HydrophobicContact CD2-CE2 4.06Å; L488-Y699 HydrophobicContact CD2-CG 3.93Å
489I83.9Confident80.2Confident80 Ų8056.3 Ų56.341%0.4127%0.266SS..Hα-helixtrans-60.6-46.2179.1-69.1171.2000110.7L485 T491 C492 I493L485-I489 HydrophobicContact CD1-CD1 3.86Å; L485-I489 HydrophobicContact CD1-CG1 4.07Å; L485-I489 HydrophobicContact CD2-CD1 4.5Å; L485-I489 HydrophobicContact CG-CD1 3.83Å; L485-I489 HydrophobicContact CG-CG1 4.43Å; L485-I489 WeakPolarHBondContact O-CG1 3.12Å; L485-I489 PolarHBondContact O-N 3.44Å; I489-T491 VanDerWaalsContact C-N 3.29Å; I489-T491 PolarHBondContact O-N 2.95Å; I489-C492 PolarHBondContact O-N 2.67Å; I489-I493 HydrophobicContact CG2-CD1 3.71Å; I489-I493 HydrophobicContact CG2-CG1 4.46Å; I489-I493 WeakPolarHBondContact O-CG1 3.47Å; I489-I493 PolarHBondContact O-N 3.23Å
490L84.8Confident80.5Confident54 Ų5455.1 Ų55.128%0.28326%0.264SS..Hα-helixtrans-58.9-41.4176.9-179.262.8000111.3I486 L488 L494 I511I486-L490 WeakPolarHBondContact O-CB 3.46Å; I486-L490 PolarHBondContact O-N 2.87Å; L488-L490 PolarHBondContact O-N 3.31Å; L490-L494 HydrophobicContact CD1-CD1 4Å; L490-L494 HydrophobicContact CD1-CG 4.21Å; L490-L494 HydrophobicContact CG-CD1 3.85Å; L490-L494 HydrophobicContact CG-CG 4.44Å; L490-L494 VanDerWaalsContact O-CB 3.29Å; L490-L494 WeakPolarHBondContact O-CB 3.3Å; L490-L494 WeakPolarHBondContact O-CG 3.47Å; L490-L494 PolarHBondContact O-N 3.05Å; L490-I511 HydrophobicContact CD2-CD1 4.41Å; L490-I511 HydrophobicContact CD2-CG1 4.27Å
491T82.6Confident80.8Confident0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-67.2-45.7178.2-57.30000111.6L469 M473 L487 L488 I489 I493 L494 W495L469-T491 HydrophobicContact CB-CG2 4.4Å; L469-T491 HydrophobicContact CD2-CG2 4.36Å; M473-T491 HydrophobicContact CB-CG2 4.32Å; M473-T491 HydrophobicContact CE-CG2 3.66Å; M473-T491 HydrophobicContact SD-CG2 3.8Å; L487-T491 WeakPolarHBondContact O-CB 3.44Å; L487-T491 PolarHBondContact O-N 3.04Å; L487-T491 PolarHBondContact O-OG1 3.32Å; L488-T491 PolarHBondContact O-N 3.4Å; I489-T491 VanDerWaalsContact C-N 3.29Å; I489-T491 PolarHBondContact O-N 2.95Å; T491-I493 PolarHBondContact O-N 3.45Å; T491-L494 PolarHBondContact O-N 3.14Å; T491-W495 VanDerWaalsContact O-CD1 3.3Å; T491-W495 PolarHBondContact O-N 3Å
492C79Confident81Confident31 Ų3162.8 Ų62.821%0.20929%0.294CS..Hα-helixtrans-58.3-45.5176.3-68.70000112.1L488 I489 W495 I496L488-C492 PolarHBondContact O-N 3.44Å; L488-C492 PolarHBondContact O-SG 3.31Å; L488-C492 VanDerWaalsContact O-SG 3.36Å; I489-C492 PolarHBondContact O-N 2.67Å; C492-W495 PolarHBondContact O-N 3.49Å; C492-I496 WeakPolarHBondContact O-CG1 3.3Å; C492-I496 PolarHBondContact O-N 2.94Å; C492-I496 VanDerWaalsContact O-N 3.17Å
493I82.1Confident81.1Confident83 Ų8361.7 Ų61.743%0.42629%0.291SS..Hα-helixtrans-63.8-45.9176.5-67.7170.1000111I489 T491 W495 I496 F497I489-I493 HydrophobicContact CG2-CD1 3.71Å; I489-I493 HydrophobicContact CG2-CG1 4.46Å; I489-I493 WeakPolarHBondContact O-CG1 3.47Å; I489-I493 PolarHBondContact O-N 3.23Å; T491-I493 PolarHBondContact O-N 3.45Å; I493-W495 PolarHBondContact O-N 3.25Å; I493-I496 PolarHBondContact O-N 3.23Å; I493-I496 VanDerWaalsContact O-N 3.14Å; I493-F497 HydrophobicContact CG2-CD2 4.48Å; I493-F497 HydrophobicContact CG2-CE2 3.68Å; I493-F497 HydrophobicContact CG2-CZ 3.97Å; I493-F497 WeakPolarHBondContact O-CD2 3.43Å; I493-F497 PolarHBondContact O-N 3.4Å
494L83.1Confident81.3Confident4 Ų459 Ų592%0.02128%0.28CS..Hα-helixtrans-62.7-28.8178.3-74.8172.7000113L469 L490 T491 F497 T500 S503L469-L494 HydrophobicContact CD2-CB 3.84Å; L469-L494 HydrophobicContact CD2-CD1 3.7Å; L469-L494 HydrophobicContact CD2-CG 4.42Å; L490-L494 HydrophobicContact CD1-CD1 4Å; L490-L494 HydrophobicContact CD1-CG 4.21Å; L490-L494 HydrophobicContact CG-CD1 3.85Å; L490-L494 HydrophobicContact CG-CG 4.44Å; L490-L494 VanDerWaalsContact O-CB 3.29Å; L490-L494 WeakPolarHBondContact O-CB 3.3Å; L490-L494 WeakPolarHBondContact O-CG 3.47Å; L490-L494 PolarHBondContact O-N 3.05Å; T491-L494 PolarHBondContact O-N 3.14Å; L494-F497 HydrophobicContact CD2-CD2 4.46Å; L494-T500 WeakPolarHBondContact O-CG2 3.27Å; L494-S503 WeakPolarHBondContact CD2-OG 3.47Å
495W79.6Confident81.6Confident62 Ų6260.5 Ų60.524%0.23529%0.286CS..Hα-helixtrans-77.8-28.4174-90.776.9000114.1T491 C492 I493 V750 K757T491-W495 VanDerWaalsContact O-CD1 3.3Å; T491-W495 PolarHBondContact O-N 3Å; C492-W495 PolarHBondContact O-N 3.49Å; I493-W495 PolarHBondContact O-N 3.25Å; W495-V750 HydrophobicContact CZ3-CG1 4.37Å; W495-V750 HydrophobicContact CZ3-CG2 4.47Å; W495-K757 PolarHBondContact O-NZ 3.34Å
496I77.9Confident81.7Confident92 Ų9262.2 Ų62.247%0.47231%0.305SS..Hα-helixtrans-69.3-40.3178.6-71.6164.3000111C492 I493 M753 K757C492-I496 WeakPolarHBondContact O-CG1 3.3Å; C492-I496 PolarHBondContact O-N 2.94Å; C492-I496 VanDerWaalsContact O-N 3.17Å; I493-I496 PolarHBondContact O-N 3.23Å; I493-I496 VanDerWaalsContact O-N 3.14Å; I496-M753 HydrophobicContact CG1-CE 4.05Å; I496-K757 PolarHBondContact O-NZ 2.8Å
497F78.9Confident81.7Confident103 Ų10362 Ų6245%0.45230%0.303SS..SBendtrans-53.9150.7-178.6-69.7-52.5000114.8I493 L494 T500 K757I493-F497 HydrophobicContact CG2-CD2 4.48Å; I493-F497 HydrophobicContact CG2-CE2 3.68Å; I493-F497 HydrophobicContact CG2-CZ 3.97Å; I493-F497 WeakPolarHBondContact O-CD2 3.43Å; I493-F497 PolarHBondContact O-N 3.4Å; L494-F497 HydrophobicContact CD2-CD2 4.46Å; F497-T500 WeakPolarHBondContact O-CG2 3.45Å; F497-K757 PolarHBondContact O-NZ 3.46Å
498R72.2Confident81.7Confident214 Ų21461.9 Ų61.981%0.80830%0.303SS*.SBendtrans-67.8-43.6-178.9-157.7-17874.6168.74.1112.8
499D75.4Confident81.7Confident98 Ų9864.1 Ų64.152%0.52432%0.317SS..SBendtrans-11264.1-173.7-67.9-59.7000111.8R501 K502D499-R501 PolarHBondContact O-N 3.29Å; D499-K502 PolarHBondContact O-N 3.24Å
500T80.1Confident81.9Confident26 Ų2665.1 Ų65.116%0.1632%0.323CS..Hα-helixtrans-48.9-52-17257.20000114.3Y465 L494 F497 K502 S503 S504Y465-T500 VanDerWaalsContact CE2-OG1 3.29Å; Y465-T500 WeakPolarHBondContact CE2-OG1 3.35Å; Y465-T500 PolarHBondContact OH-OG1 3.28Å; L494-T500 WeakPolarHBondContact O-CG2 3.27Å; F497-T500 WeakPolarHBondContact O-CG2 3.45Å; T500-K502 VanDerWaalsContact C-N 3.32Å; T500-K502 PolarHBondContact O-N 3.37Å; T500-S503 PolarHBondContact O-N 3.24Å; T500-S503 VanDerWaalsContact O-N 3.14Å; T500-S504 PolarHBondContact O-N 2.99Å; T500-S504 PolarHBondContact O-OG 2.94Å
501R81.3Confident82Confident60 Ų6063 Ų6323%0.22631%0.311CS..Hα-helixtrans-54.3-44-178.3-179.2177167.8-131.4-6.2112.7F462 Y465 D499 S503 S504 F505 E577F462-R501 VanDerWaalsContact CE2-NH1 3.31Å; Y465-R501 HydrophobicContact CD1-CB 3.83Å; Y465-R501 HydrophobicContact CD1-CG 3.74Å; Y465-R501 HydrophobicContact CD2-CB 4.12Å; Y465-R501 HydrophobicContact CE1-CB 3.82Å; Y465-R501 HydrophobicContact CE1-CG 4.15Å; Y465-R501 HydrophobicContact CE2-CB 4.13Å; Y465-R501 HydrophobicContact CG-CB 3.99Å; Y465-R501 HydrophobicContact CG-CG 4.03Å; D499-R501 PolarHBondContact O-N 3.29Å; R501-S503 VanDerWaalsContact C-N 3.34Å; R501-S503 PolarHBondContact O-N 3.49Å; R501-S504 WeakPolarHBondContact CA-OG 3.35Å; R501-S504 PolarHBondContact O-N 3.05Å; R501-S504 PolarHBondContact O-OG 3.45Å; R501-F505 HydrophobicContact CG-CD2 4.19Å; R501-F505 HydrophobicContact CG-CE1 4.46Å; R501-F505 HydrophobicContact CG-CE2 3.76Å; R501-F505 HydrophobicContact CG-CZ 3.91Å; R501-F505 PolarHBondContact O-N 3.15Å; R501-F505 VanDerWaalsContact O-N 3.13Å; R501-E577 IonicContact CZ-OE1 3.7Å; R501-E577 IonicContact CZ-OE2 2.97Å; R501-E577 IonicContact NH2-OE1 2.74Å; R501-E577 PolarHBondContact NH2-OE1 2.89Å; R501-E577 IonicContact NH2-OE2 3Å; R501-E577 PolarHBondContact NH2-OE2 3.01Å
502K81.2Confident82.2Confident167 Ų16763.1 Ų63.173%0.72631%0.312SS*.Hα-helixtrans-64.7-40.3-178.3-173.7-178.7177.7-174.40111.2D499 T500 A506D499-K502 PolarHBondContact O-N 3.24Å; T500-K502 VanDerWaalsContact C-N 3.32Å; T500-K502 PolarHBondContact O-N 3.37Å; K502-A506 PolarHBondContact O-N 3.27Å
503S83.8Confident82.5Confident34 Ų3467.4 Ų67.424%0.23833%0.33CS..Hα-helixtrans-68.5-43.9177.8-157.10000111.5L494 T500 R501 F505 A506 M507L494-S503 WeakPolarHBondContact CD2-OG 3.47Å; T500-S503 PolarHBondContact O-N 3.24Å; T500-S503 VanDerWaalsContact O-N 3.14Å; R501-S503 VanDerWaalsContact C-N 3.34Å; R501-S503 PolarHBondContact O-N 3.49Å; S503-F505 PolarHBondContact O-N 3.44Å; S503-A506 PolarHBondContact O-N 3.2Å; S503-M507 PolarHBondContact O-N 2.93Å
504S84.3Confident82.9Confident3 Ų366.2 Ų66.22%0.02132%0.321CS..Hα-helixtrans-60.9-38.6177.758.40000113.7T500 R501 M507 A508T500-S504 PolarHBondContact O-N 2.99Å; T500-S504 PolarHBondContact O-OG 2.94Å; R501-S504 WeakPolarHBondContact CA-OG 3.35Å; R501-S504 PolarHBondContact O-N 3.05Å; R501-S504 PolarHBondContact O-OG 3.45Å; S504-M507 PolarHBondContact O-N 3.15Å; S504-A508 PolarHBondContact O-N 3.05Å
505F85.7Confident83.1Confident32 Ų3266.2 Ų66.214%0.1432%0.321CS..Hα-helixtrans-73.4-26.9177.9-69.6-12.7000113.6R501 S503 L570 A574 E577R501-F505 HydrophobicContact CG-CD2 4.19Å; R501-F505 HydrophobicContact CG-CE1 4.46Å; R501-F505 HydrophobicContact CG-CE2 3.76Å; R501-F505 HydrophobicContact CG-CZ 3.91Å; R501-F505 PolarHBondContact O-N 3.15Å; R501-F505 VanDerWaalsContact O-N 3.13Å; S503-F505 PolarHBondContact O-N 3.44Å; F505-L570 HydrophobicContact CD1-CD1 3.77Å; F505-L570 HydrophobicContact CD1-CG 4.23Å; F505-L570 HydrophobicContact CE1-CD1 3.65Å; F505-L570 HydrophobicContact CE1-CG 4.44Å; F505-A574 HydrophobicContact CB-CB 4.07Å; F505-A574 HydrophobicContact CD1-CB 4.42Å; F505-A574 HydrophobicContact CG-CB 4.23Å; F505-E577 WeakPolarHBondContact CE2-OE2 3.18Å
506A84.5Confident83.5Confident70 Ų7064.9 Ų64.958%0.57932%0.317SS*.Hα-helixtrans-69.2-39.8173.900000111.6K502 S503K502-A506 PolarHBondContact O-N 3.27Å; S503-A506 PolarHBondContact O-N 3.2Å
507M86.8Confident84Confident82 Ų8266 Ų6640%0.40432%0.319SS..Hα-helixtrans-85.7-15.1-179-63.5-59.3175.300114.4S503 S504 P509 I510 I511S503-M507 PolarHBondContact O-N 2.93Å; S504-M507 PolarHBondContact O-N 3.15Å; M507-P509 VanDerWaalsContact C-CD 3.45Å; M507-P509 VanDerWaalsContact O-N 3.15Å; M507-I510 PolarHBondContact O-N 3.44Å; M507-I510 HydrophobicContact SD-CD1 4.08Å; M507-I511 HydrophobicContact CB-CD1 3.74Å; M507-I511 HydrophobicContact CB-CG1 4.21Å; M507-I511 WeakPolarHBondContact O-CG1 3.33Å; M507-I511 PolarHBondContact O-N 3.05Å
508A85Confident84.4Confident0 Ų061.9 Ų61.90%030%0.302CS..Hα-helixtrans-43-46.3-177.700000116.6S504 L512 L570S504-A508 PolarHBondContact O-N 3.05Å; A508-L512 PolarHBondContact O-N 3.21Å; A508-L570 HydrophobicContact CB-CD2 3.7Å; A508-L570 HydrophobicContact CB-CG 3.97Å
509P83.8Confident85Confident51 Ų5151.7 Ų51.733%0.33126%0.263SS..Hα-helixtrans-70.4-31.8178.727.4-34.7000113.5M507 M513 L571M507-P509 VanDerWaalsContact C-CD 3.45Å; M507-P509 VanDerWaalsContact O-N 3.15Å; P509-M513 WeakPolarHBondContact O-CG 3.38Å; P509-M513 PolarHBondContact O-N 2.63Å; P509-M513 VanDerWaalsContact O-N 3.15Å; P509-L571 HydrophobicContact CB-CD1 3.99Å
510I87.9Confident85.6Confident102 Ų10250.2 Ų50.252%0.52326%0.255SS..Hα-helixtrans-71.1-44.9177.4-58.5173.8000109.3M507 L512 M513 Y514M507-I510 PolarHBondContact O-N 3.44Å; M507-I510 HydrophobicContact SD-CD1 4.08Å; I510-L512 VanDerWaalsContact C-N 3.32Å; I510-L512 PolarHBondContact O-N 3Å; I510-M513 PolarHBondContact O-N 3.4Å; I510-Y514 WeakPolarHBondContact O-CB 3.26Å; I510-Y514 PolarHBondContact O-N 3.47Å
511I86.3Confident85.8Confident8 Ų851.6 Ų51.64%0.04126%0.261CS..Hα-helixtrans-58.2-44175.4-65.8167.3000110.6M472 L490 M507 Y514 I515 V567M472-I511 HydrophobicContact CE-CD1 4.26Å; M472-I511 HydrophobicContact SD-CD1 4.16Å; M472-I511 HydrophobicContact SD-CG1 4.42Å; M472-I511 HydrophobicContact SD-CG2 3.51Å; M472-I511 VanDerWaalsContact SD-CG2 3.51Å; L490-I511 HydrophobicContact CD2-CD1 4.41Å; L490-I511 HydrophobicContact CD2-CG1 4.27Å; M507-I511 HydrophobicContact CB-CD1 3.74Å; M507-I511 HydrophobicContact CB-CG1 4.21Å; M507-I511 WeakPolarHBondContact O-CG1 3.33Å; M507-I511 PolarHBondContact O-N 3.05Å; I511-Y514 PolarHBondContact O-N 3.46Å; I511-I515 HydrophobicContact CG2-CD1 3.82Å; I511-I515 WeakPolarHBondContact O-CB 3.36Å; I511-I515 WeakPolarHBondContact O-CG1 3.29Å; I511-I515 PolarHBondContact O-N 3.01Å; I511-I515 VanDerWaalsContact O-N 3.07Å; I511-V567 HydrophobicContact CG2-CG1 3.83Å
512L87Confident86Confident4 Ų450.4 Ų50.42%0.02126%0.258CS..Hα-helixtrans-65.9-46.5179.1-172.966.3000112.3A508 I510 Y514 I515 E516 V567 F568 L571A508-L512 PolarHBondContact O-N 3.21Å; I510-L512 VanDerWaalsContact C-N 3.32Å; I510-L512 PolarHBondContact O-N 3Å; L512-Y514 VanDerWaalsContact C-N 3.29Å; L512-Y514 PolarHBondContact O-N 3.35Å; L512-I515 PolarHBondContact O-N 3.09Å; L512-I515 VanDerWaalsContact O-N 3.15Å; L512-E516 HydrophobicContact CD1-CG 4.34Å; L512-E516 HydrophobicContact CG-CG 4.23Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 2.99Å; L512-V567 HydrophobicContact CB-CG1 4.16Å; L512-V567 HydrophobicContact CD1-CB 4.38Å; L512-V567 HydrophobicContact CD1-CG1 3.93Å; L512-F568 HydrophobicContact CD1-CD1 3.77Å; L512-F568 HydrophobicContact CD1-CD2 4.4Å; L512-F568 HydrophobicContact CD1-CE1 3.78Å; L512-F568 HydrophobicContact CD1-CE2 4.41Å; L512-F568 HydrophobicContact CD1-CG 4.09Å; L512-F568 HydrophobicContact CD1-CZ 4.1Å; L512-F568 HydrophobicContact CD2-CD1 3.85Å; L512-F568 HydrophobicContact CD2-CE1 4Å; L512-F568 HydrophobicContact CG-CD1 4.45Å; L512-F568 HydrophobicContact CG-CE1 4.37Å; L512-L571 HydrophobicContact CD2-CB 4.37Å; L512-L571 HydrophobicContact CD2-CD2 3.46Å; L512-L571 VanDerWaalsContact CD2-CD2 3.46Å
513M86.7Confident86.2Confident120 Ų12042.9 Ų42.959%0.59123%0.225SC*.Hα-helixtrans-61.2-38.6178.4-70-174.1-5400112.3P509 I510 I515 F517P509-M513 WeakPolarHBondContact O-CG 3.38Å; P509-M513 PolarHBondContact O-N 2.63Å; P509-M513 VanDerWaalsContact O-N 3.15Å; I510-M513 PolarHBondContact O-N 3.4Å; M513-I515 VanDerWaalsContact C-N 3.35Å; M513-F517 WeakPolarHBondContact O-CB 3.28Å; M513-F517 PolarHBondContact O-N 3.08Å
514Y89.8Confident86.3Confident59 Ų5947.2 Ų47.223%0.23124%0.239CC..Hα-helixtrans-63.1-41175.4-177.9-111.4000112F483 L487 I510 I511 L512 F517 L518F483-Y514 WeakPolarHBondContact CA-OH 3.43Å; F483-Y514 WeakPolarHBondContact CB-OH 3.2Å; F483-Y514 WeakPolarHBondContact CD1-OH 3.42Å; F483-Y514 PolarHBondContact O-OH 2.77Å; L487-Y514 HydrophobicContact CD2-CD1 4.18Å; L487-Y514 HydrophobicContact CD2-CE1 4Å; L487-Y514 HydrophobicContact CG-CE1 4.18Å; I510-Y514 WeakPolarHBondContact O-CB 3.26Å; I510-Y514 PolarHBondContact O-N 3.47Å; I511-Y514 PolarHBondContact O-N 3.46Å; L512-Y514 VanDerWaalsContact C-N 3.29Å; L512-Y514 PolarHBondContact O-N 3.35Å; Y514-F517 PolarHBondContact O-N 3.37Å; Y514-L518 HydrophobicContact CD1-CD1 4.1Å; Y514-L518 HydrophobicContact CE1-CD1 3.71Å; Y514-L518 WeakPolarHBondContact O-CG 3.28Å; Y514-L518 PolarHBondContact O-N 3.01Å
515I87.7Confident86.1Confident4 Ų448 Ų482%0.02124%0.243CC..Hα-helixtrans-74.8-36.1178.9-74.5174.5000112.3W475 I511 L512 M513 F517 L518 L519 T564 V567W475-I515 HydrophobicContact CH2-CG2 4.47Å; W475-I515 HydrophobicContact CZ3-CG2 4.43Å; I511-I515 HydrophobicContact CG2-CD1 3.82Å; I511-I515 WeakPolarHBondContact O-CB 3.36Å; I511-I515 WeakPolarHBondContact O-CG1 3.29Å; I511-I515 PolarHBondContact O-N 3.01Å; I511-I515 VanDerWaalsContact O-N 3.07Å; L512-I515 PolarHBondContact O-N 3.09Å; L512-I515 VanDerWaalsContact O-N 3.15Å; M513-I515 VanDerWaalsContact C-N 3.35Å; I515-F517 VanDerWaalsContact C-N 3.34Å; I515-L518 PolarHBondContact O-N 3.21Å; I515-L519 PolarHBondContact O-N 3.47Å; I515-T564 HydrophobicContact CG2-CG2 3.21Å; I515-V567 HydrophobicContact CD1-CG1 4.34Å; I515-V567 HydrophobicContact CD1-CG2 4Å
516E87.3Confident85.8Confident33 Ų3346.9 Ų46.915%0.15424%0.239CC..Hα-helixtrans-63.1-39.8171.2-74.9177.8162.700111T221 L512 L519 I520 F568T221-E516 WeakPolarHBondContact CG2-OE1 3.05Å; T221-E516 PolarHBondContact OG1-OE1 3.43Å; L512-E516 HydrophobicContact CD1-CG 4.34Å; L512-E516 HydrophobicContact CG-CG 4.23Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 2.99Å; E516-L519 PolarHBondContact O-N 3.17Å; E516-I520 WeakPolarHBondContact O-CG1 3.33Å; E516-I520 PolarHBondContact O-N 3.21Å; E516-I520 VanDerWaalsContact O-N 3.09Å; E516-F568 HydrophobicContact CG-CZ 4.47Å; E516-F568 WeakPolarHBondContact OE1-CE1 3.26Å
517F88.8Confident85.6Confident116 Ų11644.3 Ų44.351%0.50922%0.216SC..Hα-helixtrans-61.3-47.3172.2169.6-99000112.4M513 Y514 I515 L519 I520 L521M513-F517 WeakPolarHBondContact O-CB 3.28Å; M513-F517 PolarHBondContact O-N 3.08Å; Y514-F517 PolarHBondContact O-N 3.37Å; I515-F517 VanDerWaalsContact C-N 3.34Å; F517-L519 PolarHBondContact O-N 2.79Å; F517-I520 PolarHBondContact O-N 2.85Å; F517-L521 HydrophobicContact CE1-CD2 4.31Å; F517-L521 HydrophobicContact CZ-CD2 4.43Å; F517-L521 WeakPolarHBondContact O-CB 3.44Å; F517-L521 PolarHBondContact O-N 3.28Å
518L86.6Confident84.9Confident17 Ų1745.5 Ų45.59%0.08922%0.224CC..Hα-helixtrans-62.2-39.7177.6-70.9174.1000112.5W475 F483 Y514 I515 L521 Q522W475-L518 HydrophobicContact CZ2-CB 4.35Å; F483-L518 HydrophobicContact CB-CD2 4.21Å; F483-L518 HydrophobicContact CD2-CD2 4.41Å; F483-L518 HydrophobicContact CG-CD2 4.26Å; Y514-L518 HydrophobicContact CD1-CD1 4.1Å; Y514-L518 HydrophobicContact CE1-CD1 3.71Å; Y514-L518 WeakPolarHBondContact O-CG 3.28Å; Y514-L518 PolarHBondContact O-N 3.01Å; I515-L518 PolarHBondContact O-N 3.21Å; L518-L521 PolarHBondContact O-N 3.02Å; L518-Q522 WeakPolarHBondContact O-CB 3.42Å; L518-Q522 PolarHBondContact O-N 3.44Å
519L86.1Confident84.3Confident0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-62.4-41.5174.5-84.9176.9000112.8L217 W475 I515 E516 F517 Y523 Q560 T561 T564L217-L519 HydrophobicContact CD2-CD1 4.24Å; W475-L519 HydrophobicContact CH2-CD2 4.44Å; W475-L519 HydrophobicContact CH2-CG 4.48Å; I515-L519 PolarHBondContact O-N 3.47Å; E516-L519 PolarHBondContact O-N 3.17Å; F517-L519 PolarHBondContact O-N 2.79Å; L519-Y523 WeakPolarHBondContact O-CB 3.27Å; L519-Y523 PolarHBondContact O-N 3.43Å; L519-Q560 HydrophobicContact CD2-CB 3.77Å; L519-T561 HydrophobicContact CD1-CG2 4.27Å; L519-T561 HydrophobicContact CD2-CG2 3.78Å; L519-T564 HydrophobicContact CD1-CG2 3.66Å; L519-T564 HydrophobicContact CG-CG2 4.22Å
520I86.6Confident83.7Confident67 Ų6747.9 Ų47.934%0.34423%0.231SC..Hα-helixtrans-67.7-43177.8-69.1165.9000110.3L217 E516 F517 Y523 F524L217-I520 HydrophobicContact CD1-CG1 4.18Å; E516-I520 WeakPolarHBondContact O-CG1 3.33Å; E516-I520 PolarHBondContact O-N 3.21Å; E516-I520 VanDerWaalsContact O-N 3.09Å; F517-I520 PolarHBondContact O-N 2.85Å; I520-Y523 PolarHBondContact O-N 3.27Å; I520-F524 HydrophobicContact CG2-CD2 3.95Å; I520-F524 HydrophobicContact CG2-CE2 3.79Å; I520-F524 VanDerWaalsContact O-CD2 3.31Å; I520-F524 WeakPolarHBondContact O-CD2 3.42Å; I520-F524 PolarHBondContact O-N 2.93Å; I520-F524 VanDerWaalsContact O-N 3.13Å
521L85.3Confident82.7Confident55 Ų5547.2 Ų47.229%0.28824%0.241SC..Hα-helixtrans-60.1-46.6176-178.161000111.5F517 L518 Y523 F524 L525 I544F517-L521 HydrophobicContact CE1-CD2 4.31Å; F517-L521 HydrophobicContact CZ-CD2 4.43Å; F517-L521 WeakPolarHBondContact O-CB 3.44Å; F517-L521 PolarHBondContact O-N 3.28Å; L518-L521 PolarHBondContact O-N 3.02Å; L521-Y523 VanDerWaalsContact C-N 3.34Å; L521-Y523 PolarHBondContact O-N 3.44Å; L521-F524 PolarHBondContact O-N 3.44Å; L521-L525 HydrophobicContact CD1-CD1 4.19Å; L521-L525 HydrophobicContact CD1-CG 4.49Å; L521-L525 HydrophobicContact CG-CD1 3.92Å; L521-L525 WeakPolarHBondContact O-CG 3.34Å; L521-L525 PolarHBondContact O-N 3.33Å; L521-I544 HydrophobicContact CD2-CD1 4.32Å
522Q84.7Confident81.9Confident34 Ų3451 Ų5116%0.15926%0.258CS..Hα-helixtrans-61.9-39.4176.1-170.871.269.200112.3L518 F524 L525 S526 I556 L557 Q560L518-Q522 WeakPolarHBondContact O-CB 3.42Å; L518-Q522 PolarHBondContact O-N 3.44Å; Q522-F524 PolarHBondContact O-N 3.13Å; Q522-L525 PolarHBondContact O-N 3.49Å; Q522-S526 WeakPolarHBondContact O-CB 3.37Å; Q522-S526 PolarHBondContact O-N 2.81Å; Q522-S526 VanDerWaalsContact O-N 3.12Å; Q522-S526 PolarHBondContact O-OG 3.2Å; Q522-I556 HydrophobicContact CG-CG2 3.94Å; Q522-L557 HydrophobicContact CB-CD2 4.2Å; Q522-L557 HydrophobicContact CG-CD2 3.86Å; Q522-Q560 VanDerWaalsContact OE1-NE2 3.09Å
523Y86.9Confident80.9Confident9 Ų955.9 Ų55.94%0.03528%0.283CS..Hα-helixtrans-60.5-45.2177-172.8-84000111.1P205 S206 S210 F213 L519 I520 L521 S526 M527 L557P205-Y523 HydrophobicContact CB-CE2 4.15Å; S206-Y523 PolarHBondContact N-OH 3.43Å; S206-Y523 VanDerWaalsContact N-OH 3.13Å; S206-Y523 PolarHBondContact O-OH 2.83Å; S210-Y523 WeakPolarHBondContact CA-OH 3.45Å; S210-Y523 PolarHBondContact N-OH 3.49Å; F213-Y523 HydrophobicContact CB-CE2 4.13Å; F213-Y523 AromaticContact CD1-CD2 3.68Å; F213-Y523 HydrophobicContact CD1-CD2 3.68Å; F213-Y523 HydrophobicContact CD1-CE2 4.12Å; F213-Y523 HydrophobicContact CD1-CG 4.09Å; F213-Y523 HydrophobicContact CD2-CD2 4.49Å; F213-Y523 AromaticContact CE1-CD2 3.91Å; F213-Y523 HydrophobicContact CE1-CD2 3.91Å; F213-Y523 HydrophobicContact CE1-CG 4.16Å; F213-Y523 HydrophobicContact CG-CD2 4Å; F213-Y523 HydrophobicContact CG-CE2 4.08Å; F213-Y523 HydrophobicContact CZ-CD2 4.42Å; L519-Y523 WeakPolarHBondContact O-CB 3.27Å; L519-Y523 PolarHBondContact O-N 3.43Å; I520-Y523 PolarHBondContact O-N 3.27Å; L521-Y523 VanDerWaalsContact C-N 3.34Å; L521-Y523 PolarHBondContact O-N 3.44Å; Y523-S526 PolarHBondContact O-N 2.79Å; Y523-S526 PolarHBondContact O-OG 2.73Å; Y523-M527 HydrophobicContact CD1-SD 4.46Å; Y523-M527 HydrophobicContact CE1-CG 4.44Å; Y523-M527 HydrophobicContact CE1-SD 4.08Å; Y523-L557 HydrophobicContact CD2-CD1 4.14Å
524F84Confident79.9Confident125 Ų12551.7 Ų51.755%0.54827%0.271SS..Hα-helixtrans-64.9-41.8175.2-79.5-68.2000113.2I520 L521 Q522 S526 M527I520-F524 HydrophobicContact CG2-CD2 3.95Å; I520-F524 HydrophobicContact CG2-CE2 3.79Å; I520-F524 VanDerWaalsContact O-CD2 3.31Å; I520-F524 WeakPolarHBondContact O-CD2 3.42Å; I520-F524 PolarHBondContact O-N 2.93Å; I520-F524 VanDerWaalsContact O-N 3.13Å; L521-F524 PolarHBondContact O-N 3.44Å; Q522-F524 PolarHBondContact O-N 3.13Å; F524-S526 PolarHBondContact O-N 3.31Å; F524-S526 VanDerWaalsContact O-N 3.11Å; F524-M527 HydrophobicContact CD1-SD 4.18Å; F524-M527 PolarHBondContact O-N 3.03Å; F524-M527 VanDerWaalsContact O-N 3.13Å
525L80.2Confident78.6Confident20 Ų2054 Ų5411%0.10529%0.287CS..THydrogen-bonded Turntrans-66.8-6.1175.3-67.9166000114.2L521 Q522 I544 W546 T547L521-L525 HydrophobicContact CD1-CD1 4.19Å; L521-L525 HydrophobicContact CD1-CG 4.49Å; L521-L525 HydrophobicContact CG-CD1 3.92Å; L521-L525 WeakPolarHBondContact O-CG 3.34Å; L521-L525 PolarHBondContact O-N 3.33Å; Q522-L525 PolarHBondContact O-N 3.49Å; L525-I544 HydrophobicContact CD1-CG2 3.57Å; L525-I544 HydrophobicContact CD2-CG2 4.31Å; L525-W546 HydrophobicContact CD2-CD2 4.39Å; L525-W546 HydrophobicContact CD2-CE3 3.83Å; L525-W546 HydrophobicContact CD2-CH2 4.25Å; L525-W546 HydrophobicContact CD2-CZ3 3.76Å; L525-T547 PolarHBondContact O-N 3.03Å; L525-T547 PolarHBondContact O-OG1 3.06Å
526S81Confident77.7Confident8 Ų856.1 Ų56.16%0.05630%0.301CS..THydrogen-bonded Turntrans-105.20.9175.474.50000114.4P205 Q522 Y523 F524 T547P205-S526 VanDerWaalsContact CB-OG 3.32Å; P205-S526 WeakPolarHBondContact CB-OG 3.48Å; P205-S526 WeakPolarHBondContact CG-O 3.27Å; Q522-S526 WeakPolarHBondContact O-CB 3.37Å; Q522-S526 PolarHBondContact O-N 2.81Å; Q522-S526 VanDerWaalsContact O-N 3.12Å; Q522-S526 PolarHBondContact O-OG 3.2Å; Y523-S526 PolarHBondContact O-N 2.79Å; Y523-S526 PolarHBondContact O-OG 2.73Å; F524-S526 PolarHBondContact O-N 3.31Å; F524-S526 VanDerWaalsContact O-N 3.11Å; S526-T547 VanDerWaalsContact CA-OG1 3.31Å; S526-T547 WeakPolarHBondContact CA-OG1 3.27Å; S526-T547 WeakPolarHBondContact CB-OG1 3.49Å
527M78.8Confident76.8Confident17 Ų1758.7 Ų58.78%0.08433%0.328CS..SBendtrans-85.8147.7174.4-66.5-17562.100111.7P205 L207 L274 Y523 F524 I529P205-M527 HydrophobicContact CB-CG 4.32Å; L207-M527 HydrophobicContact CB-CE 4.49Å; L274-M527 HydrophobicContact CD1-CE 4.15Å; Y523-M527 HydrophobicContact CD1-SD 4.46Å; Y523-M527 HydrophobicContact CE1-CG 4.44Å; Y523-M527 HydrophobicContact CE1-SD 4.08Å; F524-M527 HydrophobicContact CD1-SD 4.18Å; F524-M527 PolarHBondContact O-N 3.03Å; F524-M527 VanDerWaalsContact O-N 3.13Å; M527-I529 HydrophobicContact CB-CD1 3.75Å; M527-I529 HydrophobicContact CB-CG1 3.78Å; M527-I529 HydrophobicContact CE-CD1 4.16Å; M527-I529 PolarHBondContact O-N 3.05Å; M527-I529 HydrophobicContact SD-CD1 4.44Å
528D72.7Confident76.2Confident107 Ų10760.7 Ų60.757%0.57233%0.333SS*.SBendtrans-75.767.3-178.7-173.425.4000112.6
529I72.8Confident75.4Confident31 Ų3160.4 Ų60.416%0.15933%0.331CS..  trans-127.98.1-175.7-34.6177.2000111.4M527 A531 E532 I533M527-I529 HydrophobicContact CB-CD1 3.75Å; M527-I529 HydrophobicContact CB-CG1 3.78Å; M527-I529 HydrophobicContact CE-CD1 4.16Å; M527-I529 PolarHBondContact O-N 3.05Å; M527-I529 HydrophobicContact SD-CD1 4.44Å; I529-A531 PolarHBondContact O-N 2.91Å; I529-E532 HydrophobicContact CG2-CB 4.06Å; I529-E532 PolarHBondContact O-N 3.43Å; I529-I533 HydrophobicContact CB-CD1 4.11Å; I529-I533 HydrophobicContact CG2-CD1 3.85Å; I529-I533 HydrophobicContact CG2-CG1 4.17Å; I529-I533 PolarHBondContact O-N 2.95Å
530H70.3Confident74.5Confident70 Ų7066.3 Ų66.332%0.32436%0.362SS..Hα-helixtrans-55.4-37.8-177.3-174.4-60.8000112.5E532 G534 D535 W546H530-E532 VanDerWaalsContact C-N 3.27Å; H530-E532 PolarHBondContact O-N 3.18Å; H530-G534 PolarHBondContact O-N 2.97Å; H530-D535 IonicContact CE1-OD2 2.91Å; H530-W546 AromaticContact CD2-CD1 3.62Å; H530-W546 AromaticContact CD2-CG 3.75Å; H530-W546 AromaticContact NE2-CD1 3.74Å
531A67.3Low73.7Confident88 Ų8869.9 Ų69.973%0.72738%0.376SS*.Hα-helixtrans-69.2-20.1-179.100000114.2I529I529-A531 PolarHBondContact O-N 2.91Å
532E68.8Low73Confident88 Ų8868.5 Ų68.541%0.41137%0.369SS..Hα-helixtrans-100.1-12.5-179.8-75.783-168.700114.2F270 R273 I529 H530F270-E532 HydrophobicContact CD2-CG 4.46Å; R273-E532 IonicContact CZ-OE1 2.83Å; R273-E532 VanDerWaalsContact CZ-OE1 3.24Å; R273-E532 IonicContact CZ-OE2 3.9Å; R273-E532 VanDerWaalsContact NH1-CD 3.28Å; R273-E532 IonicContact NH1-OE1 2.84Å; R273-E532 PolarHBondContact NH1-OE1 2.98Å; R273-E532 IonicContact NH1-OE2 2.84Å; R273-E532 PolarHBondContact NH1-OE2 3.4Å; R273-E532 IonicContact NH2-OE1 2.7Å; R273-E532 PolarHBondContact NH2-OE1 3.5Å; I529-E532 HydrophobicContact CG2-CB 4.06Å; I529-E532 PolarHBondContact O-N 3.43Å; H530-E532 VanDerWaalsContact C-N 3.27Å; H530-E532 PolarHBondContact O-N 3.18Å
533I67.9Low72.1Confident105 Ų10568 Ų6854%0.53837%0.373SS..Hα-helixtrans-113.3-42-171.9-60.6172.4000113I529 W546I529-I533 HydrophobicContact CB-CD1 4.11Å; I529-I533 HydrophobicContact CG2-CD1 3.85Å; I529-I533 HydrophobicContact CG2-CG1 4.17Å; I529-I533 PolarHBondContact O-N 2.95Å; I533-W546 HydrophobicContact CB-CH2 4.17Å; I533-W546 HydrophobicContact CB-CZ2 4.25Å; I533-W546 HydrophobicContact CD1-CH2 3.93Å; I533-W546 HydrophobicContact CG2-CH2 3.94Å; I533-W546 HydrophobicContact CG2-CZ2 3.91Å
534G64.6Low71.2Confident32 Ų3268.9 Ų68.933%0.3338%0.378SS..  trans73.2176.5-177.300000115.3H530 P536H530-G534 PolarHBondContact O-N 2.97Å; G534-P536 WeakPolarHBondContact O-CD 3.39Å
535D63.2Low70.5Confident109 Ų10968 Ų6858%0.58338%0.376SS*.  trans-103.7108.3-171.3-70.1-46.3000113.3H530 W546H530-D535 IonicContact CE1-OD2 2.91Å; D535-W546 PolarHBondContact OD1-NE1 3.21Å
536P68.4Low70.2Confident47 Ų4769.3 Ų69.331%0.30538%0.38SS..  trans-88.5133.5176.235-34.1000111.6G534 W538 M539G534-P536 WeakPolarHBondContact O-CD 3.39Å; P536-W538 HydrophobicContact CB-CG 4.48Å; P536-W538 HydrophobicContact CG-CD2 4.38Å; P536-W538 HydrophobicContact CG-CZ2 3.86Å; P536-W538 PolarHBondContact O-N 3.38Å; P536-M539 WeakPolarHBondContact O-CB 3.18Å; P536-M539 PolarHBondContact O-N 2.98Å
537A68Low69.8Low88 Ų8870 Ų7073%0.72738%0.384SS*.THydrogen-bonded Turntrans-57.1-18.7-172.900000116.1M539A537-M539 VanDerWaalsContact C-N 3.28Å; A537-M539 PolarHBondContact O-N 3.49Å
538W76Confident69.1Low158 Ų15874.3 Ų74.360%0.59841%0.411SS*.Hα-helixtrans-69.3-22.6174.762.6-103.1000113.3P536 N540 F541 V542P536-W538 HydrophobicContact CB-CG 4.48Å; P536-W538 HydrophobicContact CG-CD2 4.38Å; P536-W538 HydrophobicContact CG-CZ2 3.86Å; P536-W538 PolarHBondContact O-N 3.38Å; W538-N540 PolarHBondContact O-N 3.48Å; W538-F541 PolarHBondContact O-N 3.16Å; W538-F541 VanDerWaalsContact O-N 3.16Å; W538-V542 HydrophobicContact CE3-CG2 4.17Å; W538-V542 WeakPolarHBondContact O-CG2 3.44Å; W538-V542 PolarHBondContact O-N 3.28Å
539M70Confident69Low11 Ų1172.1 Ų72.15%0.05440%0.399CS..Hα-helixtrans-66.1-41.5-177-135170.464.800111.7P536 A537 F541 V542 G543 I544 W546P536-M539 WeakPolarHBondContact O-CB 3.18Å; P536-M539 PolarHBondContact O-N 2.98Å; A537-M539 VanDerWaalsContact C-N 3.28Å; A537-M539 PolarHBondContact O-N 3.49Å; M539-F541 VanDerWaalsContact C-N 3.28Å; M539-F541 PolarHBondContact O-N 2.79Å; M539-V542 PolarHBondContact O-N 3.29Å; M539-G543 PolarHBondContact O-N 3.33Å; M539-I544 HydrophobicContact CG-CB 3.88Å; M539-I544 HydrophobicContact CG-CG2 3.9Å; M539-I544 WeakPolarHBondContact CG-O 3.48Å; M539-I544 PolarHBondContact O-N 3.24Å; M539-I544 HydrophobicContact SD-CG2 4.09Å; M539-W546 HydrophobicContact CE-CD2 4.47Å; M539-W546 HydrophobicContact CE-CG 4.16Å
540N67.1Low68.9Low124 Ų12472.2 Ų72.266%0.66340%0.402SS*.Hα-helixtrans-65-27.3173.6-69-9.7000113.4W538W538-N540 PolarHBondContact O-N 3.48Å
541F69.1Low69.2Low142 Ų14270.1 Ų70.162%0.62339%0.394SS*.Hα-helixtrans-78.8-35.3175.4-176.8-93.9000112.1I482 W538 M539I482-F541 HydrophobicContact CD1-CD1 4.22Å; I482-F541 HydrophobicContact CD1-CE1 4.07Å; I482-F541 WeakPolarHBondContact CD1-O 3.35Å; W538-F541 PolarHBondContact O-N 3.16Å; W538-F541 VanDerWaalsContact O-N 3.16Å; M539-F541 VanDerWaalsContact C-N 3.28Å; M539-F541 PolarHBondContact O-N 2.79Å
542V70.7Confident69.6Low25 Ų2570.3 Ų70.315%0.15238%0.379CS..Hα-helixtrans-80.6-25.3-179.4173.70000112.7I482 F483 W538 M539 I544I482-V542 PolarHBondContact N-O 2.91Å; F483-V542 HydrophobicContact CD2-CG1 4.03Å; F483-V542 HydrophobicContact CE2-CG1 3.5Å; F483-V542 VanDerWaalsContact CE2-CG1 3.5Å; F483-V542 HydrophobicContact CZ-CG1 4.14Å; W538-V542 HydrophobicContact CE3-CG2 4.17Å; W538-V542 WeakPolarHBondContact O-CG2 3.44Å; W538-V542 PolarHBondContact O-N 3.28Å; M539-V542 PolarHBondContact O-N 3.29Å; V542-I544 HydrophobicContact CG1-CD1 4.11Å; V542-I544 HydrophobicContact CG1-CG1 4.26Å
543G65.6Low70Confident24 Ų2466.2 Ų66.225%0.24736%0.36CS..THydrogen-bonded Turntrans81.751.8-175.600000112S481 M539S481-G543 VanDerWaalsContact CB-O 3.29Å; S481-G543 WeakPolarHBondContact CB-O 3.36Å; M539-G543 PolarHBondContact O-N 3.33Å
544I68.8Low70.7Confident27 Ų2762 Ų6214%0.13834%0.339CS..  trans-125.1137.2171.4-72.2177.8000108.2F483 L521 L525 M539 V542F483-I544 HydrophobicContact CD2-CD1 4.02Å; F483-I544 HydrophobicContact CE2-CD1 3.73Å; L521-I544 HydrophobicContact CD2-CD1 4.32Å; L525-I544 HydrophobicContact CD1-CG2 3.57Å; L525-I544 HydrophobicContact CD2-CG2 4.31Å; M539-I544 HydrophobicContact CG-CB 3.88Å; M539-I544 HydrophobicContact CG-CG2 3.9Å; M539-I544 WeakPolarHBondContact CG-O 3.48Å; M539-I544 PolarHBondContact O-N 3.24Å; M539-I544 HydrophobicContact SD-CG2 4.09Å; V542-I544 HydrophobicContact CG1-CD1 4.11Å; V542-I544 HydrophobicContact CG1-CG1 4.26Å
545E69Low71.5Confident107 Ų10764.8 Ų64.850%0.535%0.346SS..  trans-133.3142.8-176.2-63.1176.6-173.800109.1R730E545-R730 IonicContact OE1-CZ 2.73Å; E545-R730 IonicContact OE1-NH1 2.72Å; E545-R730 PolarHBondContact OE1-NH1 3.22Å; E545-R730 IonicContact OE1-NH2 2.67Å; E545-R730 PolarHBondContact OE1-NH2 3.14Å; E545-R730 IonicContact OE2-NH2 2.66Å; E545-R730 PolarHBondContact OE2-NH2 3.06Å
546W74.7Confident72.5Confident47 Ų4761.1 Ų61.118%0.17833%0.326CS..  trans-71.2147.1178.2-65.1108.9000111.8L525 H530 I533 D535 M539L525-W546 HydrophobicContact CD2-CD2 4.39Å; L525-W546 HydrophobicContact CD2-CE3 3.83Å; L525-W546 HydrophobicContact CD2-CH2 4.25Å; L525-W546 HydrophobicContact CD2-CZ3 3.76Å; H530-W546 AromaticContact CD2-CD1 3.62Å; H530-W546 AromaticContact CD2-CG 3.75Å; H530-W546 AromaticContact NE2-CD1 3.74Å; I533-W546 HydrophobicContact CB-CH2 4.17Å; I533-W546 HydrophobicContact CB-CZ2 4.25Å; I533-W546 HydrophobicContact CD1-CH2 3.93Å; I533-W546 HydrophobicContact CG2-CH2 3.94Å; I533-W546 HydrophobicContact CG2-CZ2 3.91Å; D535-W546 PolarHBondContact OD1-NE1 3.21Å; M539-W546 HydrophobicContact CE-CD2 4.47Å; M539-W546 HydrophobicContact CE-CG 4.16Å
547T71.1Confident73.2Confident23 Ų2359 Ų5914%0.14131%0.312CS..  trans-110.886.5178.155.60000112L525 S526 I556L525-T547 PolarHBondContact O-N 3.03Å; L525-T547 PolarHBondContact O-OG1 3.06Å; S526-T547 VanDerWaalsContact CA-OG1 3.31Å; S526-T547 WeakPolarHBondContact CA-OG1 3.27Å; S526-T547 WeakPolarHBondContact CB-OG1 3.49Å; T547-I556 HydrophobicContact CG2-CD1 3.66Å
548T65.8Low74.1Confident107 Ų10757.5 Ų57.566%0.65630%0.296SS*.  trans-75.8-24.4-178.1540000114.1
549L70.5Confident74.5Confident62 Ų6252.3 Ų52.333%0.32528%0.282SS..SBendtrans-87.6121.9-178.5-78150.1000111.3M305 V551 H552 A553M305-L549 HydrophobicContact CB-CD2 4.3Å; M305-L549 HydrophobicContact SD-CD2 4.02Å; L549-V551 VanDerWaalsContact C-N 3.31Å; L549-V551 PolarHBondContact O-N 3.23Å; L549-H552 HydrophobicContact CB-CB 4.06Å; L549-H552 WeakPolarHBondContact CB-ND1 3.49Å; L549-H552 WeakPolarHBondContact O-CB 3.23Å; L549-H552 PolarHBondContact O-N 2.95Å; L549-A553 PolarHBondContact O-N 3.38Å
550P69.9Low75.3Confident33 Ų3352 Ų5221%0.21428%0.28CS..Hα-helixtrans-65.4-31.5-172.125.2-34000113.2L309 V554L309-P550 HydrophobicContact CD1-CG 4.45Å; P550-V554 VanDerWaalsContact O-CG2 3.3Å; P550-V554 WeakPolarHBondContact O-CG2 3.22Å; P550-V554 PolarHBondContact O-N 2.93Å
551V77.4Confident76Confident25 Ų2546.7 Ų46.715%0.15225%0.252CS..Hα-helixtrans-67.9-38.2173.8169.40000111.8M305 P308 L549 V554 I555M305-V551 VanDerWaalsContact O-CG2 3.25Å; M305-V551 WeakPolarHBondContact O-CG2 3.37Å; P308-V551 HydrophobicContact CG-CG2 3.72Å; L549-V551 VanDerWaalsContact C-N 3.31Å; L549-V551 PolarHBondContact O-N 3.23Å; V551-V554 PolarHBondContact O-N 3.25Å; V551-I555 HydrophobicContact CG1-CD1 3.76Å; V551-I555 HydrophobicContact CG1-CG1 4.46Å; V551-I555 VanDerWaalsContact O-CG1 3.28Å; V551-I555 WeakPolarHBondContact O-CG1 3.3Å; V551-I555 PolarHBondContact O-N 3.36Å
552H75.2Confident76.7Confident92 Ų9244.9 Ų44.943%0.42625%0.248SC..Hα-helixtrans-67.2-43177-71.781.4000111L549 V554 I555 I556L549-H552 HydrophobicContact CB-CB 4.06Å; L549-H552 WeakPolarHBondContact CB-ND1 3.49Å; L549-H552 WeakPolarHBondContact O-CB 3.23Å; L549-H552 PolarHBondContact O-N 2.95Å; H552-V554 PolarHBondContact O-N 3.4Å; H552-I555 PolarHBondContact O-N 3.26Å; H552-I556 WeakPolarHBondContact O-CB 3.37Å; H552-I556 VanDerWaalsContact O-CG1 3.29Å; H552-I556 WeakPolarHBondContact O-CG1 3.24Å; H552-I556 PolarHBondContact O-N 2.84Å
553A75.9Confident77.4Confident2 Ų245.2 Ų45.22%0.01725%0.249CC..Hα-helixtrans-55.8-48.3172.100000112.5P205 L549 I555 I556 L557P205-A553 HydrophobicContact CG-CB 4.25Å; L549-A553 PolarHBondContact O-N 3.38Å; A553-I555 PolarHBondContact O-N 3.48Å; A553-I556 PolarHBondContact O-N 3.47Å; A553-L557 WeakPolarHBondContact O-CB 3.33Å; A553-L557 WeakPolarHBondContact O-CG 3.49Å; A553-L557 PolarHBondContact O-N 3.46Å
554V83.1Confident78.4Confident16 Ų1644.1 Ų44.110%0.09724%0.238CC..Hα-helixtrans-60-44.7177167.60000111.8I202 V203 P308 P550 V551 H552 C558I202-V554 HydrophobicContact CG2-CB 4.49Å; I202-V554 HydrophobicContact CG2-CG1 4.36Å; I202-V554 HydrophobicContact CG2-CG2 4.48Å; I202-V554 WeakPolarHBondContact O-CG2 3.4Å; V203-V554 WeakPolarHBondContact O-CG2 3.42Å; P308-V554 HydrophobicContact CB-CG2 4.26Å; P308-V554 HydrophobicContact CG-CG2 4.23Å; P550-V554 VanDerWaalsContact O-CG2 3.3Å; P550-V554 WeakPolarHBondContact O-CG2 3.22Å; P550-V554 PolarHBondContact O-N 2.93Å; V551-V554 PolarHBondContact O-N 3.25Å; H552-V554 PolarHBondContact O-N 3.4Å; V554-C558 WeakPolarHBondContact O-CB 3.21Å; V554-C558 PolarHBondContact O-N 2.94Å
555I82.7Confident79Confident91 Ų9146.1 Ų46.147%0.46725%0.248SC..Hα-helixtrans-65.1-49.2-179.8-70.2166.7000111V551 H552 A553 C558 V559V551-I555 HydrophobicContact CG1-CD1 3.76Å; V551-I555 HydrophobicContact CG1-CG1 4.46Å; V551-I555 VanDerWaalsContact O-CG1 3.28Å; V551-I555 WeakPolarHBondContact O-CG1 3.3Å; V551-I555 PolarHBondContact O-N 3.36Å; H552-I555 PolarHBondContact O-N 3.26Å; A553-I555 PolarHBondContact O-N 3.48Å; I555-C558 PolarHBondContact O-N 2.94Å; I555-V559 HydrophobicContact CG2-CG2 4.41Å; I555-V559 WeakPolarHBondContact O-CG2 3.21Å; I555-V559 PolarHBondContact O-N 2.72Å
556I82.7Confident79.8Confident33 Ų3342.5 Ų42.517%0.16923%0.234CC..Hα-helixtrans-62.5-48.7-177.2-69164.3000110.3Y479 Q522 T547 H552 A553 C558 V559 Q560Y479-I556 HydrophobicContact CE1-CG1 4.38Å; Y479-I556 HydrophobicContact CE1-CG2 3.98Å; Q522-I556 HydrophobicContact CG-CG2 3.94Å; T547-I556 HydrophobicContact CG2-CD1 3.66Å; H552-I556 WeakPolarHBondContact O-CB 3.37Å; H552-I556 VanDerWaalsContact O-CG1 3.29Å; H552-I556 WeakPolarHBondContact O-CG1 3.24Å; H552-I556 PolarHBondContact O-N 2.84Å; A553-I556 PolarHBondContact O-N 3.47Å; I556-C558 VanDerWaalsContact C-N 3.32Å; I556-C558 PolarHBondContact O-N 2.92Å; I556-V559 PolarHBondContact O-N 2.8Å; I556-Q560 HydrophobicContact CG2-CG 4.5Å; I556-Q560 WeakPolarHBondContact O-CB 3.36Å; I556-Q560 WeakPolarHBondContact O-CG 3.42Å; I556-Q560 PolarHBondContact O-N 3.5Å
557L84.8Confident80.3Confident1 Ų140.4 Ų40.41%0.00523%0.226CC..Hα-helixtrans-63.4-35.7176.7-70.1173.1000112.4I202 Q522 Y523 A553 T561I202-L557 HydrophobicContact CD1-CB 4.48Å; I202-L557 HydrophobicContact CG1-CB 4.27Å; I202-L557 HydrophobicContact CG2-CB 3.8Å; I202-L557 HydrophobicContact CG2-CD1 4.35Å; Q522-L557 HydrophobicContact CB-CD2 4.2Å; Q522-L557 HydrophobicContact CG-CD2 3.86Å; Y523-L557 HydrophobicContact CD2-CD1 4.14Å; A553-L557 WeakPolarHBondContact O-CB 3.33Å; A553-L557 WeakPolarHBondContact O-CG 3.49Å; A553-L557 PolarHBondContact O-N 3.46Å; L557-T561 WeakPolarHBondContact O-CB 3.37Å; L557-T561 VanDerWaalsContact O-CG2 3.31Å; L557-T561 WeakPolarHBondContact O-CG2 3.43Å; L557-T561 PolarHBondContact O-N 3.29Å; L557-T561 PolarHBondContact O-OG1 3.31Å
558C85.3Confident81Confident57 Ų5739.5 Ų39.539%0.38522%0.22SC..Hα-helixtrans-68.8-46.6176.5-171.90000112.3V554 I555 I556 T561 L562V554-C558 WeakPolarHBondContact O-CB 3.21Å; V554-C558 PolarHBondContact O-N 2.94Å; I555-C558 PolarHBondContact O-N 2.94Å; I556-C558 VanDerWaalsContact C-N 3.32Å; I556-C558 PolarHBondContact O-N 2.92Å; C558-T561 PolarHBondContact O-N 2.6Å; C558-T561 PolarHBondContact O-OG1 2.9Å; C558-L562 WeakPolarHBondContact O-CG 3.42Å; C558-L562 PolarHBondContact O-N 2.88Å
559V84.7Confident81.9Confident50 Ų5037.8 Ų37.830%0.30321%0.207SC..Hα-helixtrans-64.3-44.9177.8170.30000110.9L478 Y479 I555 I556 L562 L563L478-V559 HydrophobicContact CD1-CG1 4.45Å; Y479-V559 HydrophobicContact CE2-CG1 4.36Å; Y479-V559 WeakPolarHBondContact OH-CG1 3.22Å; I555-V559 HydrophobicContact CG2-CG2 4.41Å; I555-V559 WeakPolarHBondContact O-CG2 3.21Å; I555-V559 PolarHBondContact O-N 2.72Å; I556-V559 PolarHBondContact O-N 2.8Å; V559-L562 PolarHBondContact O-N 2.83Å; V559-L563 HydrophobicContact CG1-CD1 4.06Å; V559-L563 WeakPolarHBondContact O-CG 3.3Å; V559-L563 PolarHBondContact O-N 3.23Å
560Q86.7Confident82.7Confident4 Ų435 Ų352%0.01919%0.192CC..Hα-helixtrans-60.9-49.1175.4-73.1-1787.700111.5W475 Y479 L519 Q522 I556 L562 L563 T564W475-Q560 HydrophobicContact CH2-CB 3.57Å; W475-Q560 HydrophobicContact CH2-CG 3.64Å; W475-Q560 HydrophobicContact CZ2-CB 4.25Å; W475-Q560 HydrophobicContact CZ2-CG 3.79Å; W475-Q560 HydrophobicContact CZ3-CB 3.87Å; W475-Q560 HydrophobicContact CZ3-CG 4.1Å; W475-Q560 WeakPolarHBondContact CZ3-O 3.49Å; Y479-Q560 HydrophobicContact CD2-CG 4.28Å; Y479-Q560 HydrophobicContact CE2-CG 3.58Å; L519-Q560 HydrophobicContact CD2-CB 3.77Å; Q522-Q560 VanDerWaalsContact OE1-NE2 3.09Å; I556-Q560 HydrophobicContact CG2-CG 4.5Å; I556-Q560 WeakPolarHBondContact O-CB 3.36Å; I556-Q560 WeakPolarHBondContact O-CG 3.42Å; I556-Q560 PolarHBondContact O-N 3.5Å; Q560-L562 VanDerWaalsContact C-N 3.27Å; Q560-L562 PolarHBondContact O-N 2.91Å; Q560-L563 PolarHBondContact O-N 2.99Å; Q560-L563 VanDerWaalsContact O-N 3.1Å; Q560-T564 WeakPolarHBondContact O-CG2 3.33Å; Q560-T564 PolarHBondContact O-N 3.45Å; Q560-T564 VanDerWaalsContact O-N 3.14Å
561T83.1Confident83.5Confident12 Ų1234.1 Ų34.17%0.07419%0.185CC..Hα-helixtrans-66.1-22.917951.10000114.2I202 F213 F216 L519 L557 C558 T564I202-T561 HydrophobicContact CD1-CG2 4.2Å; F213-T561 HydrophobicContact CE2-CG2 4.06Å; F213-T561 HydrophobicContact CZ-CG2 4.49Å; F216-T561 HydrophobicContact CE1-CG2 4.27Å; L519-T561 HydrophobicContact CD1-CG2 4.27Å; L519-T561 HydrophobicContact CD2-CG2 3.78Å; L557-T561 WeakPolarHBondContact O-CB 3.37Å; L557-T561 VanDerWaalsContact O-CG2 3.31Å; L557-T561 WeakPolarHBondContact O-CG2 3.43Å; L557-T561 PolarHBondContact O-N 3.29Å; L557-T561 PolarHBondContact O-OG1 3.31Å; C558-T561 PolarHBondContact O-N 2.6Å; C558-T561 PolarHBondContact O-OG1 2.9Å; T561-T564 PolarHBondContact O-OG1 2.9Å; T561-T564 VanDerWaalsContact O-OG1 3.09Å
562L83.4Confident83.9Confident105 Ų10536.6 Ų36.655%0.5519%0.192SC..Hα-helixtrans-73.4-42.9168.4-74168.8000112.1C558 V559 Q560 T564 L565C558-L562 WeakPolarHBondContact O-CG 3.42Å; C558-L562 PolarHBondContact O-N 2.88Å; V559-L562 PolarHBondContact O-N 2.83Å; Q560-L562 VanDerWaalsContact C-N 3.27Å; Q560-L562 PolarHBondContact O-N 2.91Å; L562-T564 PolarHBondContact O-N 3.4Å; L562-L565 HydrophobicContact CD2-CD1 4.21Å; L562-L565 PolarHBondContact O-N 3.43Å
563L85Confident84.3Confident32 Ų3233.5 Ų33.517%0.16818%0.179CC..Hα-helixtrans-66.4-19.8178.9-71.2171.9000113.7A471 W475 L478 V559 Q560 P566A471-L563 HydrophobicContact CB-CD2 4.43Å; W475-L563 HydrophobicContact CB-CD1 4.42Å; W475-L563 HydrophobicContact CE3-CB 3.78Å; W475-L563 HydrophobicContact CE3-CD1 4.11Å; W475-L563 HydrophobicContact CZ3-CB 4.14Å; L478-L563 HydrophobicContact CD1-CD1 4.14Å; V559-L563 HydrophobicContact CG1-CD1 4.06Å; V559-L563 WeakPolarHBondContact O-CG 3.3Å; V559-L563 PolarHBondContact O-N 3.23Å; Q560-L563 PolarHBondContact O-N 2.99Å; Q560-L563 VanDerWaalsContact O-N 3.1Å; L563-P566 WeakPolarHBondContact O-CD 3.28Å
564T86.1Confident84.6Confident1 Ų134.2 Ų34.21%0.00619%0.185CC..THydrogen-bonded Turntrans-81.5-20.9175.167.10000114.4W475 I515 L519 Q560 T561 L562 V567 F568W475-T564 HydrophobicContact CH2-CG2 4.26Å; W475-T564 HydrophobicContact CZ3-CG2 3.77Å; I515-T564 HydrophobicContact CG2-CG2 3.21Å; L519-T564 HydrophobicContact CD1-CG2 3.66Å; L519-T564 HydrophobicContact CG-CG2 4.22Å; Q560-T564 WeakPolarHBondContact O-CG2 3.33Å; Q560-T564 PolarHBondContact O-N 3.45Å; Q560-T564 VanDerWaalsContact O-N 3.14Å; T561-T564 PolarHBondContact O-OG1 2.9Å; T561-T564 VanDerWaalsContact O-OG1 3.09Å; L562-T564 PolarHBondContact O-N 3.4Å; T564-V567 WeakPolarHBondContact O-CA 3.45Å; T564-V567 WeakPolarHBondContact O-CB 3.31Å; T564-V567 PolarHBondContact O-N 3.4Å; T564-F568 WeakPolarHBondContact O-CD2 3.49Å; T564-F568 PolarHBondContact O-N 3.37Å
565L82.9Confident84.6Confident69 Ų6939.6 Ų39.636%0.36120%0.203SC..Hα-helixtrans-58.2-40.7-176.9-63176.9000113.8L562 V567 F568 L569L562-L565 HydrophobicContact CD2-CD1 4.21Å; L562-L565 PolarHBondContact O-N 3.43Å; L565-V567 PolarHBondContact O-N 2.92Å; L565-F568 PolarHBondContact O-N 3.13Å; L565-L569 WeakPolarHBondContact O-CB 3.24Å; L565-L569 PolarHBondContact O-N 3.08Å; L565-L569 VanDerWaalsContact O-N 3.07Å
566P84.9Confident84.4Confident31 Ų3136.9 Ų36.920%0.20119%0.187CC..Hα-helixtrans-59.9-29.2171-2535.9000113.9I467 A468 A471 L563 L570I467-P566 HydrophobicContact CG2-CB 4.36Å; I467-P566 HydrophobicContact CG2-CG 4.3Å; A468-P566 HydrophobicContact CB-CB 4.25Å; A471-P566 HydrophobicContact CB-CB 4.46Å; A471-P566 HydrophobicContact CB-CG 4.27Å; L563-P566 WeakPolarHBondContact O-CD 3.28Å; P566-L570 WeakPolarHBondContact O-CB 3.44Å; P566-L570 PolarHBondContact O-N 3.22Å
567V85.2Confident84.1Confident2 Ų237.3 Ų37.31%0.01219%0.189CC..Hα-helixtrans-80.6-41.6-178.9-171.40000111.4I511 L512 I515 T564 L565 L569 L570 L571I511-V567 HydrophobicContact CG2-CG1 3.83Å; L512-V567 HydrophobicContact CB-CG1 4.16Å; L512-V567 HydrophobicContact CD1-CB 4.38Å; L512-V567 HydrophobicContact CD1-CG1 3.93Å; I515-V567 HydrophobicContact CD1-CG1 4.34Å; I515-V567 HydrophobicContact CD1-CG2 4Å; T564-V567 WeakPolarHBondContact O-CA 3.45Å; T564-V567 WeakPolarHBondContact O-CB 3.31Å; T564-V567 PolarHBondContact O-N 3.4Å; L565-V567 PolarHBondContact O-N 2.92Å; V567-L569 PolarHBondContact O-N 3.25Å; V567-L570 WeakPolarHBondContact O-CB 3.26Å; V567-L570 PolarHBondContact O-N 2.88Å; V567-L570 VanDerWaalsContact O-N 3.13Å; V567-L571 PolarHBondContact O-N 3.32Å
568F86.6Confident83.7Confident4 Ų444.3 Ų44.32%0.01822%0.219CC..Hα-helixtrans-57.7-39.3168.4-75.8-70000111.3L512 E516 T564 L565 R572L512-F568 HydrophobicContact CD1-CD1 3.77Å; L512-F568 HydrophobicContact CD1-CD2 4.4Å; L512-F568 HydrophobicContact CD1-CE1 3.78Å; L512-F568 HydrophobicContact CD1-CE2 4.41Å; L512-F568 HydrophobicContact CD1-CG 4.09Å; L512-F568 HydrophobicContact CD1-CZ 4.1Å; L512-F568 HydrophobicContact CD2-CD1 3.85Å; L512-F568 HydrophobicContact CD2-CE1 4Å; L512-F568 HydrophobicContact CG-CD1 4.45Å; L512-F568 HydrophobicContact CG-CE1 4.37Å; E516-F568 HydrophobicContact CG-CZ 4.47Å; E516-F568 WeakPolarHBondContact OE1-CE1 3.26Å; T564-F568 WeakPolarHBondContact O-CD2 3.49Å; T564-F568 PolarHBondContact O-N 3.37Å; L565-F568 PolarHBondContact O-N 3.13Å; F568-R572 WeakPolarHBondContact O-CB 3.24Å; F568-R572 PolarHBondContact O-N 3.09Å
569L83.8Confident83.1Confident71 Ų7145 Ų4537%0.37222%0.215SC..Hα-helixtrans-69.1-37.6174.5-176.1142.8000112.4L565 V567 R572 L573L565-L569 WeakPolarHBondContact O-CB 3.24Å; L565-L569 PolarHBondContact O-N 3.08Å; L565-L569 VanDerWaalsContact O-N 3.07Å; V567-L569 PolarHBondContact O-N 3.25Å; L569-R572 PolarHBondContact O-N 3.32Å; L569-L573 HydrophobicContact CD2-CD1 3.61Å; L569-L573 HydrophobicContact CD2-CG 4.17Å; L569-L573 HydrophobicContact CG-CD1 4.47Å; L569-L573 WeakPolarHBondContact O-CB 3.4Å; L569-L573 WeakPolarHBondContact O-CG 3.12Å; L569-L573 PolarHBondContact O-N 3.48Å
570L87.1Confident82.3Confident4 Ų444.2 Ų44.22%0.02121%0.207CC..Hα-helixtrans-58.5-49.2174.2-168.779.3000111.3A468 F505 A508 P566 V567 L573 A574A468-L570 HydrophobicContact CB-CB 4.35Å; A468-L570 HydrophobicContact CB-CD1 4.04Å; A468-L570 HydrophobicContact CB-CD2 4.21Å; A468-L570 HydrophobicContact CB-CG 4.45Å; F505-L570 HydrophobicContact CD1-CD1 3.77Å; F505-L570 HydrophobicContact CD1-CG 4.23Å; F505-L570 HydrophobicContact CE1-CD1 3.65Å; F505-L570 HydrophobicContact CE1-CG 4.44Å; A508-L570 HydrophobicContact CB-CD2 3.7Å; A508-L570 HydrophobicContact CB-CG 3.97Å; P566-L570 WeakPolarHBondContact O-CB 3.44Å; P566-L570 PolarHBondContact O-N 3.22Å; V567-L570 WeakPolarHBondContact O-CB 3.26Å; V567-L570 PolarHBondContact O-N 2.88Å; V567-L570 VanDerWaalsContact O-N 3.13Å; L570-L573 PolarHBondContact O-N 2.71Å; L570-A574 WeakPolarHBondContact O-CB 3.44Å; L570-A574 PolarHBondContact O-N 3.28Å
571L87.3Confident81.4Confident14 Ų1449.3 Ų49.37%0.07323%0.231CC..Hα-helixtrans-65.3-40.3177-177.958.9000111.6P509 L512 V567 L573 A574 R575P509-L571 HydrophobicContact CB-CD1 3.99Å; L512-L571 HydrophobicContact CD2-CB 4.37Å; L512-L571 HydrophobicContact CD2-CD2 3.46Å; L512-L571 VanDerWaalsContact CD2-CD2 3.46Å; V567-L571 PolarHBondContact O-N 3.32Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L571-L573 PolarHBondContact O-N 3.45Å; L571-A574 PolarHBondContact O-N 2.95Å; L571-R575 HydrophobicContact CD1-CG 4.04Å; L571-R575 HydrophobicContact CG-CG 4.3Å; L571-R575 WeakPolarHBondContact O-CB 3.48Å; L571-R575 WeakPolarHBondContact O-CG 3.41Å; L571-R575 PolarHBondContact O-N 2.95Å
572R85.4Confident80.8Confident77 Ų7752.9 Ų52.929%0.29126%0.257SS..Hα-helixtrans-61.1-41.7175.9-170.2175.2166101.7-7.4112.2W223 S224 Y226 F568 L569 R576W223-R572 HydrophobicContact CZ3-CB 4.32Å; W223-R572 VanDerWaalsContact CZ3-CD 3.45Å; W223-R572 PolarHBondContact O-NH1 3.5Å; S224-R572 VanDerWaalsContact O-CA 3.29Å; S224-R572 WeakPolarHBondContact O-CA 3.38Å; Y226-R572 HydrophobicContact CD2-CG 4.44Å; F568-R572 WeakPolarHBondContact O-CB 3.24Å; F568-R572 PolarHBondContact O-N 3.09Å; L569-R572 PolarHBondContact O-N 3.32Å; R572-R576 WeakPolarHBondContact O-CB 3.48Å; R572-R576 PolarHBondContact O-N 3.4Å
573L83Confident79.9Confident27 Ų2748.9 Ų48.914%0.14124%0.236CC..Hα-helixtrans-68.1-43.3175.8-72.4-179.8000111.8I461 S464 L569 L570 L571 R576 E577I461-L573 HydrophobicContact CG2-CD2 4.26Å; S464-L573 WeakPolarHBondContact OG-CD1 3.26Å; L569-L573 HydrophobicContact CD2-CD1 3.61Å; L569-L573 HydrophobicContact CD2-CG 4.17Å; L569-L573 HydrophobicContact CG-CD1 4.47Å; L569-L573 WeakPolarHBondContact O-CB 3.4Å; L569-L573 WeakPolarHBondContact O-CG 3.12Å; L569-L573 PolarHBondContact O-N 3.48Å; L570-L573 PolarHBondContact O-N 2.71Å; L571-L573 VanDerWaalsContact C-N 3.35Å; L571-L573 PolarHBondContact O-N 3.45Å; L573-R576 PolarHBondContact O-N 2.97Å; L573-E577 WeakPolarHBondContact O-CB 3.38Å; L573-E577 PolarHBondContact O-N 3.2Å
574A83.2Confident78.9Confident18 Ų1849.9 Ų49.915%0.14925%0.245CC..Hα-helixtrans-62.6-44.8176.200000112.4F505 L570 L571 K578F505-A574 HydrophobicContact CB-CB 4.07Å; F505-A574 HydrophobicContact CD1-CB 4.42Å; F505-A574 HydrophobicContact CG-CB 4.23Å; L570-A574 WeakPolarHBondContact O-CB 3.44Å; L570-A574 PolarHBondContact O-N 3.28Å; L571-A574 PolarHBondContact O-N 2.95Å; A574-K578 WeakPolarHBondContact O-CB 3.31Å; A574-K578 PolarHBondContact O-N 2.9Å
575R83.6Confident77.4Confident128 Ų12853.7 Ų53.748%0.48327%0.266SS..Hα-helixtrans-63.3-43.2174.2-77.5-69.9-171.5171.72.4112L571 F579L571-R575 HydrophobicContact CD1-CG 4.04Å; L571-R575 HydrophobicContact CG-CG 4.3Å; L571-R575 WeakPolarHBondContact O-CB 3.48Å; L571-R575 WeakPolarHBondContact O-CG 3.41Å; L571-R575 PolarHBondContact O-N 2.95Å; R575-F579 WeakPolarHBondContact O-CB 3.36Å; R575-F579 PolarHBondContact O-N 3.46Å
576R77.9Confident75.9Confident34 Ų3458.5 Ų58.513%0.12828%0.28CS..Hα-helixtrans-62.9-47.6176.6174.8-174.6170.7-1753.4111.8Y226 D431 R572 L573 K578 F579 Y580Y226-R576 HydrophobicContact CD2-CB 4Å; Y226-R576 HydrophobicContact CD2-CG 4.46Å; Y226-R576 HydrophobicContact CE2-CB 3.91Å; Y226-R576 HydrophobicContact CE2-CG 3.86Å; D431-R576 VanDerWaalsContact CG-NH1 3.29Å; D431-R576 IonicContact OD1-CZ 3.44Å; D431-R576 IonicContact OD1-NH1 2.67Å; D431-R576 PolarHBondContact OD1-NH1 2.95Å; D431-R576 IonicContact OD1-NH2 2.69Å; D431-R576 PolarHBondContact OD1-NH2 3.11Å; D431-R576 IonicContact OD2-CZ 2.74Å; D431-R576 VanDerWaalsContact OD2-CZ 3.3Å; D431-R576 IonicContact OD2-NH1 3.36Å; D431-R576 PolarHBondContact OD2-NH1 3.44Å; D431-R576 VanDerWaalsContact OD2-NH1 3.09Å; D431-R576 IonicContact OD2-NH2 2.63Å; D431-R576 PolarHBondContact OD2-NH2 2.91Å; R572-R576 WeakPolarHBondContact O-CB 3.48Å; R572-R576 PolarHBondContact O-N 3.4Å; L573-R576 PolarHBondContact O-N 2.97Å; R576-K578 VanDerWaalsContact C-N 3.34Å; R576-F579 WeakPolarHBondContact O-CB 3.46Å; R576-F579 PolarHBondContact O-N 3.36Å; R576-F579 VanDerWaalsContact O-N 3.15Å; R576-Y580 HydrophobicContact CG-CD2 3.69Å; R576-Y580 HydrophobicContact CG-CE2 3.71Å; R576-Y580 VanDerWaalsContact O-CD2 3.3Å; R576-Y580 WeakPolarHBondContact O-CD2 3.49Å; R576-Y580 PolarHBondContact O-N 2.9Å
577E75.3Confident74.8Confident43 Ų4361.3 Ų61.320%0.20129%0.291CS..Hα-helixtrans-62.9-44.7-179.8-165.3154.3-150.200109.7R501 F505 L573 F579 Y580 E581R501-E577 IonicContact CZ-OE1 3.7Å; R501-E577 IonicContact CZ-OE2 2.97Å; R501-E577 IonicContact NH2-OE1 2.74Å; R501-E577 PolarHBondContact NH2-OE1 2.89Å; R501-E577 IonicContact NH2-OE2 3Å; R501-E577 PolarHBondContact NH2-OE2 3.01Å; F505-E577 WeakPolarHBondContact CE2-OE2 3.18Å; L573-E577 WeakPolarHBondContact O-CB 3.38Å; L573-E577 PolarHBondContact O-N 3.2Å; E577-F579 VanDerWaalsContact C-N 3.3Å; E577-F579 PolarHBondContact O-N 3.19Å; E577-Y580 PolarHBondContact O-N 3.05Å; E577-Y580 VanDerWaalsContact O-N 3.16Å; E577-E581 WeakPolarHBondContact O-CG 3.48Å; E577-E581 PolarHBondContact O-N 3.31Å
578K77.2Confident73.5Confident147 Ų14762.7 Ų62.764%0.63930%0.296SS*.Hα-helixtrans-59.8-34.4172.1-166.9166.4-175.6170.90113.7A574 R576 E581 S582A574-K578 WeakPolarHBondContact O-CB 3.31Å; A574-K578 PolarHBondContact O-N 2.9Å; R576-K578 VanDerWaalsContact C-N 3.34Å; K578-E581 PolarHBondContact O-N 2.84Å; K578-S582 WeakPolarHBondContact O-CB 3.46Å; K578-S582 PolarHBondContact O-N 3.29Å; K578-S582 PolarHBondContact O-OG 3.18Å
579F72.9Confident71.8Confident71 Ų7166.2 Ų66.231%0.31131%0.312SS..Hα-helixtrans-70.3-41.6173.5174.4-93.6000112.9Y226 R575 R576 E577 E581 S582 L583Y226-F579 HydrophobicContact CD1-CB 4.33Å; Y226-F579 HydrophobicContact CD1-CD1 4.41Å; Y226-F579 HydrophobicContact CD1-CG 4.22Å; Y226-F579 HydrophobicContact CE1-CB 4.26Å; Y226-F579 AromaticContact CE1-CD1 3.61Å; Y226-F579 HydrophobicContact CE1-CD1 3.61Å; Y226-F579 HydrophobicContact CE1-CD2 4.48Å; Y226-F579 HydrophobicContact CE1-CE1 4.02Å; Y226-F579 AromaticContact CE1-CG 3.86Å; Y226-F579 HydrophobicContact CE1-CG 3.86Å; R575-F579 WeakPolarHBondContact O-CB 3.36Å; R575-F579 PolarHBondContact O-N 3.46Å; R576-F579 WeakPolarHBondContact O-CB 3.46Å; R576-F579 PolarHBondContact O-N 3.36Å; R576-F579 VanDerWaalsContact O-N 3.15Å; E577-F579 VanDerWaalsContact C-N 3.3Å; E577-F579 PolarHBondContact O-N 3.19Å; F579-E581 PolarHBondContact O-N 3.1Å; F579-S582 WeakPolarHBondContact CA-OG 3.05Å; F579-S582 PolarHBondContact O-N 3.42Å; F579-S582 PolarHBondContact O-OG 3.41Å; F579-L583 HydrophobicContact CD1-CD1 4.15Å; F579-L583 HydrophobicContact CE1-CD1 3.66Å; F579-L583 HydrophobicContact CE1-CG 4.3Å; F579-L583 HydrophobicContact CZ-CD1 4.17Å; F579-L583 HydrophobicContact CZ-CG 4.38Å; F579-L583 PolarHBondContact O-N 3Å
580Y68.5Low70.3Confident35 Ų3571.1 Ų71.114%0.13733%0.326CS..Hα-helixtrans-69.2-22.3173.4-80.9-75000112.4V430 R576 E577 L583 R588V430-Y580 HydrophobicContact CG1-CE1 4.15Å; V430-Y580 HydrophobicContact CG2-CE1 4.25Å; R576-Y580 HydrophobicContact CG-CD2 3.69Å; R576-Y580 HydrophobicContact CG-CE2 3.71Å; R576-Y580 VanDerWaalsContact O-CD2 3.3Å; R576-Y580 WeakPolarHBondContact O-CD2 3.49Å; R576-Y580 PolarHBondContact O-N 2.9Å; E577-Y580 PolarHBondContact O-N 3.05Å; E577-Y580 VanDerWaalsContact O-N 3.16Å; Y580-L583 HydrophobicContact CD1-CD1 4.1Å; Y580-L583 HydrophobicContact CE1-CD1 4.41Å; Y580-R588 PolarHBondContact O-NE 2.86Å; Y580-R588 PolarHBondContact O-NH2 3.08Å
581E67.5Low68.6Low110 Ų11075.7 Ų75.751%0.51434%0.343SS..Hα-helixtrans-82.8-20.5169.4-69.3-170.7134.200114.3K424 E577 K578 F579K424-E581 IonicContact NZ-OE1 3.99Å; K424-E581 PolarHBondContact NZ-OE1 2.7Å; E577-E581 WeakPolarHBondContact O-CG 3.48Å; E577-E581 PolarHBondContact O-N 3.31Å; K578-E581 PolarHBondContact O-N 2.84Å; F579-E581 PolarHBondContact O-N 3.1Å
582S70Confident66.9Low88 Ų8877 Ų7762%0.61535%0.349SS*.Hα-helixtrans-96.1-6.2178.472.30000114.8K578 F579K578-S582 WeakPolarHBondContact O-CB 3.46Å; K578-S582 PolarHBondContact O-N 3.29Å; K578-S582 PolarHBondContact O-OG 3.18Å; F579-S582 WeakPolarHBondContact CA-OG 3.05Å; F579-S582 PolarHBondContact O-N 3.42Å; F579-S582 PolarHBondContact O-OG 3.41Å
583L64Low65.1Low20 Ų2078.5 Ų78.511%0.10536%0.363CS..SBendtrans-70.4128.3172.7-93.2161000110.5F579 Y580 E587 R588F579-L583 HydrophobicContact CD1-CD1 4.15Å; F579-L583 HydrophobicContact CE1-CD1 3.66Å; F579-L583 HydrophobicContact CE1-CG 4.3Å; F579-L583 HydrophobicContact CZ-CD1 4.17Å; F579-L583 HydrophobicContact CZ-CG 4.38Å; F579-L583 PolarHBondContact O-N 3Å; Y580-L583 HydrophobicContact CD1-CD1 4.1Å; Y580-L583 HydrophobicContact CE1-CD1 4.41Å; L583-E587 HydrophobicContact CD2-CB 3.76Å; L583-R588 HydrophobicContact CB-CG 4.13Å
584S64.4Low63.6Low53 Ų5381.3 Ų81.337%0.37139%0.385SS..  trans-63.6151.7175.768.10000111.5Y586 E587 R588S584-Y586 PolarHBondContact O-N 2.85Å; S584-E587 WeakPolarHBondContact CB-OE2 3.45Å; S584-E587 PolarHBondContact N-OE2 3.48Å; S584-E587 VanDerWaalsContact N-OE2 3.16Å; S584-E587 PolarHBondContact O-N 3.1Å; S584-E587 VanDerWaalsContact O-N 3.1Å; S584-E587 WeakPolarHBondContact OG-CB 3.34Å; S584-E587 VanDerWaalsContact OG-CD 3.32Å; S584-E587 WeakPolarHBondContact OG-CG 3.34Å; S584-E587 PolarHBondContact OG-N 3.1Å; S584-E587 PolarHBondContact OG-OE2 2.99Å; S584-R588 PolarHBondContact O-N 2.65Å
585D55.2Low61.6Low82 Ų8285.1 Ų85.144%0.43940%0.396SS..Hα-helixtrans-60.6-31.4179.6-76.9-35.4000112.2R588 Q589D585-R588 WeakPolarHBondContact O-CB 3.4Å; D585-Q589 WeakPolarHBondContact O-CB 3.15Å; D585-Q589 PolarHBondContact O-N 3.05Å
586Y52.1Low59.3Low169 Ų16982.4 Ų82.466%0.66341%0.408SS*.Hα-helixtrans-67.4-42.9173.5179.1-105.6000112.8S584 Q589 R590S584-Y586 PolarHBondContact O-N 2.85Å; Y586-Q589 PolarHBondContact O-N 3.23Å; Y586-R590 WeakPolarHBondContact O-CB 3.47Å; Y586-R590 PolarHBondContact O-N 2.89Å
587E60.4Low57.4Low90 Ų9086.3 Ų86.342%0.42144%0.436SS..Hα-helixtrans-69.1-34.6175.8-69.816810800112.4L583 S584 R591L583-E587 HydrophobicContact CD2-CB 3.76Å; S584-E587 WeakPolarHBondContact CB-OE2 3.45Å; S584-E587 PolarHBondContact N-OE2 3.48Å; S584-E587 VanDerWaalsContact N-OE2 3.16Å; S584-E587 PolarHBondContact O-N 3.1Å; S584-E587 VanDerWaalsContact O-N 3.1Å; S584-E587 WeakPolarHBondContact OG-CB 3.34Å; S584-E587 VanDerWaalsContact OG-CD 3.32Å; S584-E587 WeakPolarHBondContact OG-CG 3.34Å; S584-E587 PolarHBondContact OG-N 3.1Å; S584-E587 PolarHBondContact OG-OE2 2.99Å; E587-R591 PolarHBondContact O-N 3.42Å
588R57.3Low55.4Low31 Ų3190.8 Ų90.812%0.11746%0.455CS..Hα-helixtrans-56.9-54.6166.9-80.9166.9158.5-107.8-11.5109.8V425 Y580 L583 S584 D585 R590 R591 I592V425-R588 VanDerWaalsContact N-NH1 3.18Å; V425-R588 PolarHBondContact O-NH1 3.4Å; V425-R588 PolarHBondContact O-NH2 2.85Å; Y580-R588 PolarHBondContact O-NE 2.86Å; Y580-R588 PolarHBondContact O-NH2 3.08Å; L583-R588 HydrophobicContact CB-CG 4.13Å; S584-R588 PolarHBondContact O-N 2.65Å; D585-R588 WeakPolarHBondContact O-CB 3.4Å; R588-R590 VanDerWaalsContact C-N 3.35Å; R588-R590 PolarHBondContact O-N 3.31Å; R588-R591 CarbonylContact O-C 3.57Å; R588-R591 PolarHBondContact O-N 3.31Å; R588-I592 WeakPolarHBondContact O-CB 2.99Å; R588-I592 WeakPolarHBondContact O-CD1 3.3Å; R588-I592 VanDerWaalsContact O-CG1 3.22Å; R588-I592 WeakPolarHBondContact O-CG1 3.34Å; R588-I592 PolarHBondContact O-N 3.25Å
589Q52.6Low53.1Low79 Ų7986.9 Ų86.937%0.36946%0.456SS..Hα-helixtrans-59.1-43.1-179.7-141.177.1-19.200112.3D585 Y586 R591 I592 N593D585-Q589 WeakPolarHBondContact O-CB 3.15Å; D585-Q589 PolarHBondContact O-N 3.05Å; Y586-Q589 PolarHBondContact O-N 3.23Å; Q589-R591 PolarHBondContact O-N 3.01Å; Q589-I592 PolarHBondContact O-N 3.14Å; Q589-I592 VanDerWaalsContact O-N 3.1Å; Q589-N593 PolarHBondContact O-N 3.45Å
590R52.1Low51.1Low174 Ų17488.5 Ų88.566%0.65748%0.483SS*.Hα-helixtrans-64.9-39.8179.5-168.3174.4-179.2-176.60.5112.3Y586 R588 I592 S594Y586-R590 WeakPolarHBondContact O-CB 3.47Å; Y586-R590 PolarHBondContact O-N 2.89Å; R588-R590 VanDerWaalsContact C-N 3.35Å; R588-R590 PolarHBondContact O-N 3.31Å; R590-I592 VanDerWaalsContact C-N 3.29Å; R590-I592 PolarHBondContact O-N 3.42Å; R590-S594 PolarHBondContact O-N 2.9Å; R590-S594 PolarHBondContact O-OG 2.69Å
591R51.2Low49.4Very low100 Ų10092.3 Ų92.338%0.37752%0.515SS..Hα-helixtrans-82.84.8172.2-81.4-162.1-81.8-168.6-10.3115E587 R588 Q589 Y595E587-R591 PolarHBondContact O-N 3.42Å; R588-R591 CarbonylContact O-C 3.57Å; R588-R591 PolarHBondContact O-N 3.31Å; Q589-R591 PolarHBondContact O-N 3.01Å; R591-Y595 WeakPolarHBondContact O-CD2 3.36Å
592I50.9Low47.5Very low41 Ų4196.1 Ų96.121%0.2153%0.53CS..Hα-helixtrans-97.7-46.3166.6-74.9165.3000109.2R588 Q589 R590 S594 Y595 F598R588-I592 WeakPolarHBondContact O-CB 2.99Å; R588-I592 WeakPolarHBondContact O-CD1 3.3Å; R588-I592 VanDerWaalsContact O-CG1 3.22Å; R588-I592 WeakPolarHBondContact O-CG1 3.34Å; R588-I592 PolarHBondContact O-N 3.25Å; Q589-I592 PolarHBondContact O-N 3.14Å; Q589-I592 VanDerWaalsContact O-N 3.1Å; R590-I592 VanDerWaalsContact C-N 3.29Å; R590-I592 PolarHBondContact O-N 3.42Å; I592-S594 PolarHBondContact O-N 3.3Å; I592-Y595 PolarHBondContact O-N 3.44Å; I592-Y595 VanDerWaalsContact O-N 3.11Å; I592-F598 HydrophobicContact CG2-CB 4.24Å; I592-F598 HydrophobicContact CG2-CD1 4.16Å; I592-F598 HydrophobicContact CG2-CD2 3.46Å; I592-F598 VanDerWaalsContact CG2-CD2 3.46Å; I592-F598 HydrophobicContact CG2-CE1 4.43Å; I592-F598 HydrophobicContact CG2-CE2 3.78Å; I592-F598 HydrophobicContact CG2-CG 3.67Å; I592-F598 HydrophobicContact CG2-CZ 4.25Å
593N48.7Very low45.8Very low109 Ų10999.2 Ų99.258%0.58355%0.545SS*.Hα-helixtrans-68-31.8-179.1-69.4-1000113.3Q589 Y595 G596Q589-N593 PolarHBondContact O-N 3.45Å; N593-Y595 PolarHBondContact O-N 2.93Å; N593-Y595 VanDerWaalsContact O-N 3.16Å; N593-G596 PolarHBondContact O-N 2.65Å
594S50.9Low44.2Very low85 Ų85101.6 Ų101.659%0.59457%0.574SS**THydrogen-bonded Turntrans-66.7-9.6173.561.80000114.1R590 I592R590-S594 PolarHBondContact O-N 2.9Å; R590-S594 PolarHBondContact O-OG 2.69Å; I592-S594 PolarHBondContact O-N 3.3Å
595Y41.9Very low42.5Very low99 Ų99104.1 Ų104.139%0.38860%0.598SS.*THydrogen-bonded Turntrans-10219.6175.4-73.3-105.1000112.6E350 R591 I592 N593 T597E350-Y595 VanDerWaalsContact CD-OH 3.32Å; E350-Y595 PolarHBondContact OE1-OH 3.18Å; R591-Y595 WeakPolarHBondContact O-CD2 3.36Å; I592-Y595 PolarHBondContact O-N 3.44Å; I592-Y595 VanDerWaalsContact O-N 3.11Å; N593-Y595 PolarHBondContact O-N 2.93Å; N593-Y595 VanDerWaalsContact O-N 3.16Å; Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.21Å; Y595-T597 PolarHBondContact O-OG1 3.06Å
596G34Very low41.2Very low70 Ų70103.5 Ų103.572%0.72261%0.612SS**SBendtrans68.52.4148.500000119.8N593N593-G596 PolarHBondContact O-N 2.65Å
597T39.6Very low40.2Very low117 Ų11799.3 Ų99.372%0.71862%0.619SS**  trans-135.38.3-16545.10000116.4Y595 G599Y595-T597 VanDerWaalsContact C-N 3.32Å; Y595-T597 PolarHBondContact O-N 3.21Å; Y595-T597 PolarHBondContact O-OG1 3.06Å; T597-G599 PolarHBondContact O-N 3.05Å
598F31.7Very low39Very low136 Ų136101 Ų10160%0.59664%0.636SS**  trans-94.846.6-175.1-73.2-85.7000114.5I592I592-F598 HydrophobicContact CG2-CB 4.24Å; I592-F598 HydrophobicContact CG2-CD1 4.16Å; I592-F598 HydrophobicContact CG2-CD2 3.46Å; I592-F598 VanDerWaalsContact CG2-CD2 3.46Å; I592-F598 HydrophobicContact CG2-CE1 4.43Å; I592-F598 HydrophobicContact CG2-CE2 3.78Å; I592-F598 HydrophobicContact CG2-CG 3.67Å; I592-F598 HydrophobicContact CG2-CZ 4.25Å
599G29.8Very low37.9Very low65 Ų65103.5 Ų103.567%0.6766%0.663SS**  trans-119.7137.9178.500000113.9T597T597-G599 PolarHBondContact O-N 3.05Å
600A30.1Very low37.2Very low105 Ų105104.9 Ų104.987%0.86868%0.676SS**SBendtrans78.2133.917400000119.3
601S32.5Very low36.4Very low116 Ų116101 Ų10181%0.81168%0.681SS**  trans58.990.5169.8-142.20000117.4
602K29.1Very low35.8Very low190 Ų190106.2 Ų106.283%0.82671%0.707SS**  71.3128.257.4-64.9-170.3172.5-179.50116
603T33Very low35.2Very low152 Ų152108.6 Ų108.693%0.93372%0.72SS**  trans58.7137.9168.8610000118.9
604G30.2Very low34.9Very low70 Ų70108 Ų10872%0.72272%0.722SS**  cis-174162.4-8.600000113.3
605A30.4Very low34.4Very low106 Ų106112.3 Ų112.388%0.87673%0.73SS**  trans5785.2165.200000121
606G26.1Very low34.5Very low70 Ų70109.1 Ų109.172%0.72272%0.722SS**SBendtrans43.4112.3139.800000121.4
607G32.9Very low35.1Very low80 Ų80115.8 Ų115.883%0.82573%0.726SS**SBendcis-170.2135.94.100000114.5
608V35Very low35.6Very low127 Ų127117.9 Ų117.977%0.7773%0.725SS**  cis174.4131.8-37.7139.80000105.9
609A32.7Very low36.4Very low82 Ų82118.2 Ų118.268%0.67873%0.726SS**  cis-141.2128.8-7.400000110.7
610V39.3Very low37.2Very low109 Ų109117.9 Ų117.966%0.66172%0.717SS**  trans-135.629.3172.9-155.40000110S616V610-S616 WeakPolarHBondContact CG1-OG 3.45Å; V610-S616 WeakPolarHBondContact O-CB 3.48Å; V610-S616 PolarHBondContact O-OG 2.88Å
611A35.2Very low38.4Very low92 Ų92115.5 Ų115.576%0.7670%0.697SS**  trans-117.394.4-158.400000113.1
612K37.1Very low39.7Very low210 Ų210115.3 Ų115.391%0.91368%0.682SS**SBendtrans-163.5-31.7146.7-112.5174.9-178.9-176.90112.3
613D38.8Very low41Very low91 Ų91109.5 Ų109.549%0.48766%0.662SS.*  trans-65.1127174.3-82.4-30.2000112.7K451 K615 S616K451-D613 IonicContact NZ-OD2 3.82Å; K451-D613 PolarHBondContact NZ-OD2 2.96Å; D613-K615 PolarHBondContact O-N 3.12Å; D613-S616 VanDerWaalsContact O-CB 3.3Å; D613-S616 WeakPolarHBondContact O-CB 3.42Å; D613-S616 PolarHBondContact O-N 2.84Å
614P42.9Very low42.6Very low95 Ų95108.3 Ų108.362%0.61765%0.646SS**Hα-helixtrans-65.7-21.1174.326.2-34000113
615K39.7Very low44.3Very low176 Ų176111 Ų11177%0.76564%0.636SS**Hα-helixtrans-72.7-27.6173.6-66.4175.7-178.8172.30112.3D613 F619D613-K615 PolarHBondContact O-N 3.12Å; K615-F619 PolarHBondContact O-N 2.97Å
616S44.3Very low46Very low33 Ų33110 Ų11023%0.23162%0.615CS.*Hα-helixtrans-66.4-48175177.90000111.8V610 D613 K618 F619 A620V610-S616 WeakPolarHBondContact CG1-OG 3.45Å; V610-S616 WeakPolarHBondContact O-CB 3.48Å; V610-S616 PolarHBondContact O-OG 2.88Å; D613-S616 VanDerWaalsContact O-CB 3.3Å; D613-S616 WeakPolarHBondContact O-CB 3.42Å; D613-S616 PolarHBondContact O-N 2.84Å; S616-K618 VanDerWaalsContact C-N 3.25Å; S616-K618 PolarHBondContact O-N 2.88Å; S616-F619 PolarHBondContact O-N 3.27Å; S616-A620 PolarHBondContact O-N 2.82Å
617R47.2Very low47.8Very low210 Ų210110 Ų11079%0.79260%0.604SS**Hα-helixtrans-54.5-39.6176.4-88.3-175.9169174.8-3.2112.7A620 A621R617-A620 PolarHBondContact O-N 3.29Å; R617-A621 WeakPolarHBondContact O-CB 3.47Å; R617-A621 PolarHBondContact O-N 2.74Å
618K49.1Very low49.5Very low160 Ų160110.3 Ų110.370%0.69659%0.586SS**Hα-helixtrans-63.1-40.3177.9-68.1-178.8-179.3-1790112.2S616 F622S616-K618 VanDerWaalsContact C-N 3.25Å; S616-K618 PolarHBondContact O-N 2.88Å; K618-F622 VanDerWaalsContact O-CB 3.28Å; K618-F622 WeakPolarHBondContact O-CB 3.22Å; K618-F622 PolarHBondContact O-N 2.68Å
619F50.1Low51.1Low144 Ų144108.3 Ų108.363%0.63257%0.567SS**Hα-helixtrans-71.9-42.4177.1-172.2-101.6000112.4K615 S616 F622 V623K615-F619 PolarHBondContact O-N 2.97Å; S616-F619 PolarHBondContact O-N 3.27Å; F619-F622 PolarHBondContact O-N 3.19Å; F619-V623 HydrophobicContact CD1-CG2 4.13Å; F619-V623 HydrophobicContact CE1-CG2 3.71Å; F619-V623 HydrophobicContact CE2-CG2 4.36Å; F619-V623 HydrophobicContact CZ-CG2 3.84Å; F619-V623 WeakPolarHBondContact O-CG2 3.43Å; F619-V623 PolarHBondContact O-N 3.27Å
620A46.2Very low53Low58 Ų58107.1 Ų107.148%0.47955%0.552SS.*Hα-helixtrans-59.8-48.617600000111.9S616 R617 F622 V623 E624S616-A620 PolarHBondContact O-N 2.82Å; R617-A620 PolarHBondContact O-N 3.29Å; A620-F622 VanDerWaalsContact C-N 3.3Å; A620-F622 PolarHBondContact O-N 3.05Å; A620-V623 PolarHBondContact O-N 2.97Å; A620-E624 PolarHBondContact O-N 3.42Å
621A55.5Low54.5Low54 Ų54102.1 Ų102.145%0.44652%0.522SS..Hα-helixtrans-64.6-32.3176.200000112.7R617 Y625R617-A621 WeakPolarHBondContact O-CB 3.47Å; R617-A621 PolarHBondContact O-N 2.74Å; A621-Y625 WeakPolarHBondContact O-CB 3.41Å; A621-Y625 PolarHBondContact O-N 3.48Å
622F59.9Low56.3Low112 Ų112100.3 Ų100.349%0.49150%0.501SS..Hα-helixtrans-67.3-43.4172.8175.9-99.2000112.2K618 F619 A620 Y625 L626K618-F622 VanDerWaalsContact O-CB 3.28Å; K618-F622 WeakPolarHBondContact O-CB 3.22Å; K618-F622 PolarHBondContact O-N 2.68Å; F619-F622 PolarHBondContact O-N 3.19Å; A620-F622 VanDerWaalsContact C-N 3.3Å; A620-F622 PolarHBondContact O-N 3.05Å; F622-Y625 PolarHBondContact O-N 3.28Å; F622-L626 HydrophobicContact CE1-CD2 4.17Å; F622-L626 HydrophobicContact CZ-CD2 4.44Å; F622-L626 WeakPolarHBondContact O-CB 3.36Å; F622-L626 PolarHBondContact O-N 3.5Å
623V55.9Low58.4Low69 Ų6996.6 Ų96.642%0.41848%0.482SS..Hα-helixtrans-65.7-39.2176.3171.70000111.2F619 A620 L626 S627F619-V623 HydrophobicContact CD1-CG2 4.13Å; F619-V623 HydrophobicContact CE1-CG2 3.71Å; F619-V623 HydrophobicContact CE2-CG2 4.36Å; F619-V623 HydrophobicContact CZ-CG2 3.84Å; F619-V623 WeakPolarHBondContact O-CG2 3.43Å; F619-V623 PolarHBondContact O-N 3.27Å; A620-V623 PolarHBondContact O-N 2.97Å; V623-L626 PolarHBondContact O-N 2.95Å; V623-S627 WeakPolarHBondContact O-CB 3.37Å; V623-S627 PolarHBondContact O-N 3.29Å
624E66.4Low60.5Low127 Ų12793.5 Ų93.559%0.59346%0.464SS*.Hα-helixtrans-67.6-42.3174.9-174.2175.8-170.500112.4A620 N628A620-E624 PolarHBondContact O-N 3.42Å; E624-N628 WeakPolarHBondContact O-CB 3.35Å; E624-N628 PolarHBondContact O-N 3.33Å; E624-N628 PolarHBondContact O-ND2 3.4Å
625Y65.3Low62.4Low127 Ų12789.4 Ų89.450%0.49844%0.437SS..Hα-helixtrans-61.3-46.5172.6171.7-95.2000111.6A621 F622 N628 K629A621-Y625 WeakPolarHBondContact O-CB 3.41Å; A621-Y625 PolarHBondContact O-N 3.48Å; F622-Y625 PolarHBondContact O-N 3.28Å; Y625-N628 PolarHBondContact O-N 3.05Å; Y625-K629 HydrophobicContact CD1-CG 4.3Å; Y625-K629 HydrophobicContact CD2-CG 4.29Å; Y625-K629 HydrophobicContact CE1-CG 3.91Å; Y625-K629 HydrophobicContact CE2-CD 4.34Å; Y625-K629 VanDerWaalsContact CE2-CE 3.45Å; Y625-K629 HydrophobicContact CE2-CG 3.9Å; Y625-K629 HydrophobicContact CG-CG 4.47Å; Y625-K629 WeakPolarHBondContact O-CB 3.5Å; Y625-K629 VanDerWaalsContact O-CG 3.31Å; Y625-K629 WeakPolarHBondContact O-CG 3.36Å; Y625-K629 PolarHBondContact O-N 2.92Å; Y625-K629 WeakPolarHBondContact OH-CE 3.23Å
626L66.2Low64.5Low83 Ų8386.8 Ų86.844%0.43543%0.426SS..Hα-helixtrans-64.2-45.2179.2-176.264000111F622 V623 K629 V630F622-L626 HydrophobicContact CE1-CD2 4.17Å; F622-L626 HydrophobicContact CZ-CD2 4.44Å; F622-L626 WeakPolarHBondContact O-CB 3.36Å; F622-L626 PolarHBondContact O-N 3.5Å; V623-L626 PolarHBondContact O-N 2.95Å; L626-K629 PolarHBondContact O-N 2.9Å; L626-V630 HydrophobicContact CD1-CG2 4.18Å; L626-V630 HydrophobicContact CG-CG2 4.35Å; L626-V630 WeakPolarHBondContact O-CB 3.34Å; L626-V630 VanDerWaalsContact O-CG2 3.28Å; L626-V630 WeakPolarHBondContact O-CG2 3.34Å; L626-V630 PolarHBondContact O-N 2.8Å
627S63.5Low66.4Low70 Ų7088.6 Ų88.649%0.4944%0.435SS..Hα-helixtrans-57.5-50.3175.4-1770000111.6V623 K629 V630 S631V623-S627 WeakPolarHBondContact O-CB 3.37Å; V623-S627 PolarHBondContact O-N 3.29Å; S627-K629 PolarHBondContact O-N 3.1Å; S627-V630 PolarHBondContact O-N 3.18Å; S627-S631 WeakPolarHBondContact O-CB 3.3Å; S627-S631 PolarHBondContact O-N 2.88Å
628N69.7Low68.3Low87 Ų8778.6 Ų78.647%0.46540%0.398SS..Hα-helixtrans-61.3-43.5176-80.8-61.4000112.1E624 Y625 S631 V632E624-N628 WeakPolarHBondContact O-CB 3.35Å; E624-N628 PolarHBondContact O-N 3.33Å; E624-N628 PolarHBondContact O-ND2 3.4Å; Y625-N628 PolarHBondContact O-N 3.05Å; N628-S631 PolarHBondContact O-N 3.07Å; N628-S631 PolarHBondContact O-OG 3.08Å; N628-V632 WeakPolarHBondContact O-CG2 3.26Å; N628-V632 PolarHBondContact O-N 3.45Å
629K68Low70Confident85 Ų8571.9 Ų71.937%0.3737%0.371SS..Hα-helixtrans-66.6-43.8178.8-74.2-65.6-173.3-178.90113Y625 L626 S627 S631 V632 Y633Y625-K629 HydrophobicContact CD1-CG 4.3Å; Y625-K629 HydrophobicContact CD2-CG 4.29Å; Y625-K629 HydrophobicContact CE1-CG 3.91Å; Y625-K629 HydrophobicContact CE2-CD 4.34Å; Y625-K629 VanDerWaalsContact CE2-CE 3.45Å; Y625-K629 HydrophobicContact CE2-CG 3.9Å; Y625-K629 HydrophobicContact CG-CG 4.47Å; Y625-K629 WeakPolarHBondContact O-CB 3.5Å; Y625-K629 VanDerWaalsContact O-CG 3.31Å; Y625-K629 WeakPolarHBondContact O-CG 3.36Å; Y625-K629 PolarHBondContact O-N 2.92Å; Y625-K629 WeakPolarHBondContact OH-CE 3.23Å; L626-K629 PolarHBondContact O-N 2.9Å; S627-K629 PolarHBondContact O-N 3.1Å; K629-S631 VanDerWaalsContact C-N 3.3Å; K629-S631 PolarHBondContact O-N 3.05Å; K629-V632 PolarHBondContact O-N 3.31Å; K629-Y633 HydrophobicContact CD-CE2 4.33Å; K629-Y633 VanDerWaalsContact O-CD2 3.26Å; K629-Y633 WeakPolarHBondContact O-CD2 3.28Å; K629-Y633 PolarHBondContact O-N 3.34Å
630V72.2Confident71.6Confident58 Ų5869.1 Ų69.135%0.35237%0.366SS..Hα-helixtrans-58.5-45.8173.3169.90000109.6L626 S627 V632 Y633 F634 F759L626-V630 HydrophobicContact CD1-CG2 4.18Å; L626-V630 HydrophobicContact CG-CG2 4.35Å; L626-V630 WeakPolarHBondContact O-CB 3.34Å; L626-V630 VanDerWaalsContact O-CG2 3.28Å; L626-V630 WeakPolarHBondContact O-CG2 3.34Å; L626-V630 PolarHBondContact O-N 2.8Å; S627-V630 PolarHBondContact O-N 3.18Å; V630-V632 PolarHBondContact O-N 3.44Å; V630-Y633 PolarHBondContact O-N 3.01Å; V630-Y633 VanDerWaalsContact O-N 3.11Å; V630-F634 HydrophobicContact CG1-CD2 4.17Å; V630-F634 WeakPolarHBondContact O-CB 3.34Å; V630-F634 PolarHBondContact O-N 3.38Å; V630-F759 HydrophobicContact CG1-CE1 3.97Å; V630-F759 HydrophobicContact CG1-CZ 3.94Å
631S70.8Confident73.6Confident4 Ų468 Ų683%0.02835%0.353CS..Hα-helixtrans-61.2-28.4179.881.30000114.6S627 N628 K629 P762S627-S631 WeakPolarHBondContact O-CB 3.3Å; S627-S631 PolarHBondContact O-N 2.88Å; N628-S631 PolarHBondContact O-N 3.07Å; N628-S631 PolarHBondContact O-OG 3.08Å; K629-S631 VanDerWaalsContact C-N 3.3Å; K629-S631 PolarHBondContact O-N 3.05Å; S631-P762 WeakPolarHBondContact OG-CB 3.34Å
632V74Confident75.2Confident53 Ų5365.5 Ų65.532%0.32133%0.332SS..Hα-helixtrans-78.9-35175.9172.30000112N628 K629 V630 A766N628-V632 WeakPolarHBondContact O-CG2 3.26Å; N628-V632 PolarHBondContact O-N 3.45Å; K629-V632 PolarHBondContact O-N 3.31Å; V630-V632 PolarHBondContact O-N 3.44Å; V632-A766 HydrophobicContact CG2-CB 4.04Å
633Y80.2Confident76.5Confident132 Ų13261.5 Ų61.552%0.51832%0.316SS..Hα-helixtrans-98.1-12.2-174.8-65-56.5000115.1K629 V630 I635 F636K629-Y633 HydrophobicContact CD-CE2 4.33Å; K629-Y633 VanDerWaalsContact O-CD2 3.26Å; K629-Y633 WeakPolarHBondContact O-CD2 3.28Å; K629-Y633 PolarHBondContact O-N 3.34Å; V630-Y633 PolarHBondContact O-N 3.01Å; V630-Y633 VanDerWaalsContact O-N 3.11Å; Y633-I635 PolarHBondContact O-N 2.98Å; Y633-F636 HydrophobicContact CD1-CD2 4.14Å; Y633-F636 HydrophobicContact CD1-CE2 4.06Å; Y633-F636 PolarHBondContact O-N 2.76Å
634F83.7Confident77.9Confident26 Ų2661.6 Ų61.611%0.11432%0.317CS..Hα-helixtrans-57.2-28.6-176.5-157.9-92.7000113.4V630 F636 V637 V638 V751 L754 Q755 F759V630-F634 HydrophobicContact CG1-CD2 4.17Å; V630-F634 WeakPolarHBondContact O-CB 3.34Å; V630-F634 PolarHBondContact O-N 3.38Å; F634-F636 PolarHBondContact O-N 2.69Å; F634-V637 WeakPolarHBondContact O-CA 3.49Å; F634-V637 VanDerWaalsContact O-CB 3.31Å; F634-V637 WeakPolarHBondContact O-CB 3.38Å; F634-V637 PolarHBondContact O-N 3.05Å; F634-V638 HydrophobicContact CD1-CG2 3.77Å; F634-V638 HydrophobicContact CE1-CG2 3.85Å; F634-V638 WeakPolarHBondContact O-CG2 3.42Å; F634-V638 PolarHBondContact O-N 3.01Å; F634-V638 VanDerWaalsContact O-N 3.09Å; F634-V751 HydrophobicContact CE1-CG1 4.09Å; F634-V751 HydrophobicContact CZ-CG1 4.3Å; F634-L754 HydrophobicContact CE1-CB 4.25Å; F634-L754 HydrophobicContact CZ-CB 4Å; F634-L754 HydrophobicContact CZ-CD1 4.47Å; F634-Q755 HydrophobicContact CD1-CB 3.94Å; F634-Q755 HydrophobicContact CE1-CB 3.97Å; F634-F759 HydrophobicContact CB-CB 4.12Å; F634-F759 HydrophobicContact CB-CD2 3.92Å; F634-F759 HydrophobicContact CB-CG 4.08Å; F634-F759 AromaticContact CD1-CD2 3.59Å; F634-F759 HydrophobicContact CD1-CD2 3.59Å; F634-F759 HydrophobicContact CD1-CE2 4.21Å; F634-F759 HydrophobicContact CD1-CG 4.44Å; F634-F759 AromaticContact CD2-CD2 3.6Å; F634-F759 HydrophobicContact CD2-CD2 3.6Å; F634-F759 AromaticContact CD2-CE2 3.49Å; F634-F759 HydrophobicContact CD2-CE2 3.49Å; F634-F759 VanDerWaalsContact CD2-CE2 3.49Å; F634-F759 HydrophobicContact CD2-CG 4.46Å; F634-F759 HydrophobicContact CD2-CZ 4.29Å; F634-F759 AromaticContact CE1-CD2 3.93Å; F634-F759 HydrophobicContact CE1-CD2 3.93Å; F634-F759 HydrophobicContact CE1-CE2 4.25Å; F634-F759 AromaticContact CE2-CD2 3.94Å; F634-F759 HydrophobicContact CE2-CD2 3.94Å; F634-F759 AromaticContact CE2-CE2 3.54Å; F634-F759 HydrophobicContact CE2-CE2 3.54Å; F634-F759 HydrophobicContact CE2-CZ 4.47Å; F634-F759 HydrophobicContact CG-CB 4.44Å; F634-F759 AromaticContact CG-CD2 3.4Å; F634-F759 HydrophobicContact CG-CD2 3.4Å; F634-F759 VanDerWaalsContact CG-CD2 3.4Å; F634-F759 AromaticContact CG-CE2 3.85Å; F634-F759 HydrophobicContact CG-CE2 3.85Å; F634-F759 HydrophobicContact CG-CG 4.08Å; F634-F759 HydrophobicContact CZ-CD2 4.1Å; F634-F759 AromaticContact CZ-CE2 3.93Å; F634-F759 HydrophobicContact CZ-CE2 3.93Å
635I83.2Confident78.8Confident10 Ų1056 Ų565%0.05129%0.291CS..Hα-helixtrans-58.3-32.1176.1-162.4167.2000113.3Y633 S639 Y676 W684 W763Y633-I635 PolarHBondContact O-N 2.98Å; I635-S639 WeakPolarHBondContact O-CB 3.42Å; I635-S639 PolarHBondContact O-N 3.21Å; I635-S639 VanDerWaalsContact O-N 3.1Å; I635-Y676 WeakPolarHBondContact CD1-OH 3.36Å; I635-W684 HydrophobicContact CD1-CZ2 4.2Å; I635-W684 HydrophobicContact CG1-CZ2 3.81Å; I635-W763 HydrophobicContact CD1-CD2 4.18Å; I635-W763 HydrophobicContact CD1-CH2 4.04Å; I635-W763 HydrophobicContact CD1-CZ2 3.52Å
636F82.7Confident79.7Confident120 Ų12050 Ų5053%0.52627%0.267SS..Hα-helixtrans-70.8-36.6173.6-64.5-74.2000111.4Y633 F634 S639 V640Y633-F636 HydrophobicContact CD1-CD2 4.14Å; Y633-F636 HydrophobicContact CD1-CE2 4.06Å; Y633-F636 PolarHBondContact O-N 2.76Å; F634-F636 PolarHBondContact O-N 2.69Å; F636-S639 PolarHBondContact O-N 2.78Å; F636-V640 WeakPolarHBondContact O-CB 3.5Å; F636-V640 WeakPolarHBondContact O-CG2 3.38Å; F636-V640 PolarHBondContact O-N 3.19Å
637V83.7Confident80.5Confident71 Ų7146 Ų4643%0.4325%0.247SC..Hα-helixtrans-61.4-47175.4-174.90000110.3F634 S639 V640 V641F634-V637 WeakPolarHBondContact O-CA 3.49Å; F634-V637 VanDerWaalsContact O-CB 3.31Å; F634-V637 WeakPolarHBondContact O-CB 3.38Å; F634-V637 PolarHBondContact O-N 3.05Å; V637-S639 VanDerWaalsContact C-N 3.33Å; V637-S639 PolarHBondContact O-N 3.41Å; V637-V640 PolarHBondContact O-N 3.4Å; V637-V641 HydrophobicContact CG1-CG2 4.44Å; V637-V641 WeakPolarHBondContact O-CG2 3.28Å; V637-V641 PolarHBondContact O-N 3.41Å
638V87Confident81.2Confident0 Ų044.9 Ų44.90%024%0.238CC..Hα-helixtrans-61.8-41.8176.2-163.80000111.4F634 V640 V641 L642 W684 V751 T752 Q755F634-V638 HydrophobicContact CD1-CG2 3.77Å; F634-V638 HydrophobicContact CE1-CG2 3.85Å; F634-V638 WeakPolarHBondContact O-CG2 3.42Å; F634-V638 PolarHBondContact O-N 3.01Å; F634-V638 VanDerWaalsContact O-N 3.09Å; V638-V640 VanDerWaalsContact C-N 3.31Å; V638-V640 PolarHBondContact O-N 3.45Å; V638-V641 PolarHBondContact O-N 3.39Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 2.87Å; V638-W684 HydrophobicContact CB-CH2 4.11Å; V638-W684 HydrophobicContact CB-CZ3 4.02Å; V638-W684 HydrophobicContact CG1-CE3 3.74Å; V638-W684 HydrophobicContact CG1-CH2 3.94Å; V638-W684 HydrophobicContact CG1-CZ3 3.34Å; V638-V751 HydrophobicContact CB-CG1 4.33Å; V638-V751 HydrophobicContact CG1-CG1 4.3Å; V638-V751 HydrophobicContact CG2-CG1 3.95Å; V638-T752 HydrophobicContact CG1-CG2 3.91Å; V638-Q755 HydrophobicContact CG2-CB 3.8Å; V638-Q755 HydrophobicContact CG2-CG 3.98Å
639S85.2Confident81.4Confident20 Ų2043.7 Ų43.714%0.1423%0.229CC..Hα-helixtrans-70.4-23.6179.7-160.30000114I635 F636 V637 L643 W662 N665I635-S639 WeakPolarHBondContact O-CB 3.42Å; I635-S639 PolarHBondContact O-N 3.21Å; I635-S639 VanDerWaalsContact O-N 3.1Å; F636-S639 PolarHBondContact O-N 2.78Å; V637-S639 VanDerWaalsContact C-N 3.33Å; V637-S639 PolarHBondContact O-N 3.41Å; S639-L643 PolarHBondContact O-N 2.95Å; S639-W662 VanDerWaalsContact O-CD1 3.27Å; S639-W662 PolarHBondContact O-NE1 3.31Å; S639-N665 PolarHBondContact OG-ND2 3.49Å
640V85.2Confident81.6Confident86 Ų8642.5 Ų42.552%0.52124%0.235SC..Hα-helixtrans-81.1-44.5172.5167.80000110.8F636 V637 V638 L642 L643 V644F636-V640 WeakPolarHBondContact O-CB 3.5Å; F636-V640 WeakPolarHBondContact O-CG2 3.38Å; F636-V640 PolarHBondContact O-N 3.19Å; V637-V640 PolarHBondContact O-N 3.4Å; V638-V640 VanDerWaalsContact C-N 3.31Å; V638-V640 PolarHBondContact O-N 3.45Å; V640-L642 VanDerWaalsContact C-N 3.28Å; V640-L642 PolarHBondContact O-N 2.88Å; V640-L643 WeakPolarHBondContact O-CB 3.46Å; V640-L643 PolarHBondContact O-N 3.34Å; V640-L643 VanDerWaalsContact O-N 3.11Å; V640-V644 HydrophobicContact CG1-CG2 4.4Å; V640-V644 WeakPolarHBondContact O-CG2 3.27Å; V640-V644 PolarHBondContact O-N 3.03Å
641V86.5Confident81.8Confident35 Ų3541 Ų4121%0.21223%0.226CC..Hα-helixtrans-61.1-39.4176175.40000110.8V637 V638 L643 V644 V645 L748V637-V641 HydrophobicContact CG1-CG2 4.44Å; V637-V641 WeakPolarHBondContact O-CG2 3.28Å; V637-V641 PolarHBondContact O-N 3.41Å; V638-V641 PolarHBondContact O-N 3.39Å; V641-L643 PolarHBondContact O-N 2.96Å; V641-V644 PolarHBondContact O-N 3.37Å; V641-V645 HydrophobicContact CG1-CG2 4.38Å; V641-V645 VanDerWaalsContact O-CG2 3.3Å; V641-V645 WeakPolarHBondContact O-CG2 3.23Å; V641-V645 PolarHBondContact O-N 3.47Å; V641-L748 HydrophobicContact CG1-CB 4.48Å; V641-L748 HydrophobicContact CG1-CD1 4Å
642L89.3Confident82.3Confident0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-61.3-41.2173.5-178.263.1000112.6V638 V640 S646 F658 W662 F683 L687 L748V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 2.87Å; V640-L642 VanDerWaalsContact C-N 3.28Å; V640-L642 PolarHBondContact O-N 2.88Å; L642-S646 WeakPolarHBondContact O-CB 3.38Å; L642-S646 PolarHBondContact O-N 3.48Å; L642-S646 VanDerWaalsContact O-N 3.17Å; L642-S646 PolarHBondContact O-OG 2.94Å; L642-F658 HydrophobicContact CD1-CB 4.15Å; L642-F658 HydrophobicContact CD1-CD1 3.75Å; L642-F658 HydrophobicContact CD1-CG 4.34Å; L642-W662 HydrophobicContact CD2-CB 4.02Å; L642-W662 HydrophobicContact CG-CB 4.19Å; L642-F683 HydrophobicContact CD2-CZ 4.31Å; L642-L687 HydrophobicContact CD1-CD1 4Å; L642-L687 HydrophobicContact CD1-CD2 4.22Å; L642-L687 HydrophobicContact CD2-CD2 4.4Å; L642-L748 HydrophobicContact CD1-CD2 4.26Å
643L88.2Confident82.9Confident28 Ų2843.8 Ų43.815%0.14724%0.235CC..Hα-helixtrans-64.2-50.1176.2-179.561.3000111.1S639 V640 V641 V645 S646 T647 F659 W662 I935S639-L643 PolarHBondContact O-N 2.95Å; V640-L643 WeakPolarHBondContact O-CB 3.46Å; V640-L643 PolarHBondContact O-N 3.34Å; V640-L643 VanDerWaalsContact O-N 3.11Å; V641-L643 PolarHBondContact O-N 2.96Å; L643-V645 PolarHBondContact O-N 3.21Å; L643-S646 WeakPolarHBondContact CA-OG 3.48Å; L643-S646 CarbonylContact O-C 3.59Å; L643-S646 WeakPolarHBondContact O-CA 3.05Å; L643-S646 PolarHBondContact O-N 3.43Å; L643-S646 PolarHBondContact O-OG 3.02Å; L643-T647 HydrophobicContact CD1-CG2 3.89Å; L643-T647 PolarHBondContact O-N 3.07Å; L643-T647 PolarHBondContact O-OG1 3.46Å; L643-T647 VanDerWaalsContact O-OG1 3.06Å; L643-F659 HydrophobicContact CD1-CD2 4.36Å; L643-F659 HydrophobicContact CD1-CE2 4.22Å; L643-W662 HydrophobicContact CB-CG 4.5Å; L643-W662 HydrophobicContact CD1-CD2 3.96Å; L643-W662 HydrophobicContact CD1-CE3 4.2Å; L643-W662 HydrophobicContact CD1-CG 4.44Å; L643-W662 HydrophobicContact CD1-CH2 4.32Å; L643-W662 HydrophobicContact CD1-CZ2 4.06Å; L643-W662 HydrophobicContact CD1-CZ3 4.38Å; L643-W662 HydrophobicContact CD2-CZ2 3.95Å; L643-W662 HydrophobicContact CG-CZ2 4.5Å; L643-I935 HydrophobicContact CD1-CD1 4.43Å; L643-I935 HydrophobicContact CD2-CG2 4.3Å
644V85.2Confident83.1Confident72 Ų7239.1 Ų39.144%0.43622%0.217SC..Hα-helixtrans-56.4-48.5179.4170.10000111.5V640 V641 S646 T647 C648V640-V644 HydrophobicContact CG1-CG2 4.4Å; V640-V644 WeakPolarHBondContact O-CG2 3.27Å; V640-V644 PolarHBondContact O-N 3.03Å; V641-V644 PolarHBondContact O-N 3.37Å; V644-S646 PolarHBondContact O-N 2.9Å; V644-T647 PolarHBondContact O-N 3.2Å; V644-C648 WeakPolarHBondContact O-CB 3.49Å; V644-C648 PolarHBondContact O-N 2.92Å
645V84.4Confident83.3Confident8 Ų838 Ų385%0.04821%0.212CC..Hα-helixtrans-61.8-28.8176.8174.30000111.9V641 L643 N655 F658 A744 L748V641-V645 HydrophobicContact CG1-CG2 4.38Å; V641-V645 VanDerWaalsContact O-CG2 3.3Å; V641-V645 WeakPolarHBondContact O-CG2 3.23Å; V641-V645 PolarHBondContact O-N 3.47Å; L643-V645 PolarHBondContact O-N 3.21Å; V645-N655 PolarHBondContact O-OD1 3.14Å; V645-F658 HydrophobicContact CG1-CD2 4.05Å; V645-F658 HydrophobicContact CG1-CE2 4.14Å; V645-A744 HydrophobicContact CG2-CB 4.26Å; V645-L748 HydrophobicContact CG1-CD2 4.32Å; V645-L748 HydrophobicContact CG2-CB 4.49Å
646S85.2Confident83.5Confident1 Ų138.4 Ų38.41%0.00721%0.214CC..Hα-helixtrans-85.3-13.8178.273.30000115.9L642 L643 V644L642-S646 WeakPolarHBondContact O-CB 3.38Å; L642-S646 PolarHBondContact O-N 3.48Å; L642-S646 VanDerWaalsContact O-N 3.17Å; L642-S646 PolarHBondContact O-OG 2.94Å; L643-S646 WeakPolarHBondContact CA-OG 3.48Å; L643-S646 CarbonylContact O-C 3.59Å; L643-S646 WeakPolarHBondContact O-CA 3.05Å; L643-S646 PolarHBondContact O-N 3.43Å; L643-S646 PolarHBondContact O-OG 3.02Å; V644-S646 PolarHBondContact O-N 2.9Å
647T81.7Confident83.8Confident1 Ų136.7 Ų36.71%0.00621%0.21CC..Hα-helixtrans-126.2-16.5-172.358.50000116.2L643 V644 F659 P927L643-T647 HydrophobicContact CD1-CG2 3.89Å; L643-T647 PolarHBondContact O-N 3.07Å; L643-T647 PolarHBondContact O-OG1 3.46Å; L643-T647 VanDerWaalsContact O-OG1 3.06Å; V644-T647 PolarHBondContact O-N 3.2Å; T647-F659 HydrophobicContact CG2-CD2 4.12Å; T647-F659 HydrophobicContact CG2-CE2 4.31Å; T647-P927 WeakPolarHBondContact O-CD 3.02Å
648C78.5Confident84.1Confident45 Ų4533.3 Ų33.330%0.30419%0.19SC..SBendtrans-95.68-179.6-67.50000114V644V644-C648 WeakPolarHBondContact O-CB 3.49Å; V644-C648 PolarHBondContact O-N 2.92Å
649F74.7Confident84.2Confident62 Ų6233.4 Ų33.427%0.27219%0.19SC..SBendtrans-126.5161.5175-63.9-75.5000109.7N655 A744F649-N655 WeakPolarHBondContact CB-ND2 3.36Å; F649-A744 HydrophobicContact CE2-CB 3.46Å; F649-A744 VanDerWaalsContact CE2-CB 3.46Å; F649-A744 HydrophobicContact CZ-CB 3.51Å
650A72.5Confident84.3Confident60 Ų6034 Ų3450%0.49620%0.196SC..  trans-52.5148.317600000112N652 N655A650-N652 PolarHBondContact O-N 2.96Å; A650-N655 PolarHBondContact O-ND2 3.46Å
651P76.5Confident84.5Confident27 Ų2731.9 Ų31.918%0.17518%0.182CC..  trans-75.653.7-170.832.2-37000114.2I656 Q886 L887P651-I656 VanDerWaalsContact O-CD1 3.31Å; P651-I656 WeakPolarHBondContact O-CD1 3.15Å; P651-Q886 HydrophobicContact CG-CB 3.87Å; P651-L887 WeakPolarHBondContact O-CD2 3.33Å
652N81.4Confident84.7Confident27 Ų2730.6 Ų30.614%0.14417%0.173CC..  trans-64.4156173.2-57-6.5000111A650 Y654 N655 I656A650-N652 PolarHBondContact O-N 2.96Å; N652-Y654 HydrophobicContact CB-CD1 4.28Å; N652-Y654 HydrophobicContact CB-CE1 4.13Å; N652-Y654 PolarHBondContact ND2-OH 3.27Å; N652-Y654 PolarHBondContact O-N 3.05Å; N652-Y654 VanDerWaalsContact O-N 3.09Å; N652-N655 PolarHBondContact O-N 3.1Å; N652-I656 PolarHBondContact O-N 3.01Å
653F85.3Confident84.5Confident89 Ų8930.8 Ų30.839%0.3917%0.174SC..Hα-helixtrans-51.9-37.3179.4-85.3-73.7000114.2L657 W720 A723 I724 L887F653-L657 WeakPolarHBondContact O-CB 3.23Å; F653-L657 PolarHBondContact O-N 3.46Å; F653-W720 HydrophobicContact CE2-CE3 4.48Å; F653-W720 AromaticContact CE2-CZ3 3.99Å; F653-W720 HydrophobicContact CE2-CZ3 3.99Å; F653-W720 HydrophobicContact CZ-CZ3 4.21Å; F653-A723 HydrophobicContact CD2-CB 4.46Å; F653-A723 WeakPolarHBondContact CD2-O 3.49Å; F653-A723 HydrophobicContact CE2-CB 4.31Å; F653-A723 PolarHBondContact N-O 3.5Å; F653-I724 HydrophobicContact CD2-CG1 4.29Å; F653-L887 HydrophobicContact CZ-CD1 4.48Å
654Y85.8Confident84.4Confident33 Ų3332.4 Ų32.413%0.12918%0.183CC..Hα-helixtrans-70.8-31.5177.265.6-109.2000113.5N652 L657 F658 Y690 I724N652-Y654 HydrophobicContact CB-CD1 4.28Å; N652-Y654 HydrophobicContact CB-CE1 4.13Å; N652-Y654 PolarHBondContact ND2-OH 3.27Å; N652-Y654 PolarHBondContact O-N 3.05Å; N652-Y654 VanDerWaalsContact O-N 3.09Å; Y654-L657 PolarHBondContact O-N 3.35Å; Y654-F658 HydrophobicContact CD2-CD2 4.35Å; Y654-F658 HydrophobicContact CD2-CE2 4.09Å; Y654-F658 WeakPolarHBondContact O-CD2 3.15Å; Y654-F658 PolarHBondContact O-N 3.35Å; Y654-Y690 WeakPolarHBondContact CA-OH 3.27Å; Y654-Y690 VanDerWaalsContact CB-OH 3.24Å; Y654-Y690 WeakPolarHBondContact CB-OH 3.37Å; Y654-I724 VanDerWaalsContact CD1-O 3.22Å; Y654-I724 WeakPolarHBondContact CD1-O 3.14Å
655N86.5Confident84.4Confident2 Ų229.2 Ų29.21%0.01116%0.163CC..Hα-helixtrans-73.9-41.7176.6-71.4-26.6000111.5V645 F649 A650 N652 L657 F658 F659V645-N655 PolarHBondContact O-OD1 3.14Å; F649-N655 WeakPolarHBondContact CB-ND2 3.36Å; A650-N655 PolarHBondContact O-ND2 3.46Å; N652-N655 PolarHBondContact O-N 3.1Å; N655-L657 PolarHBondContact O-N 2.99Å; N655-F658 PolarHBondContact O-N 3.21Å; N655-F658 VanDerWaalsContact O-N 3.16Å; N655-F659 PolarHBondContact O-N 3.29Å
656I87.3Confident84.5Confident20 Ų2029.9 Ų29.910%0.10317%0.167CC..Hα-helixtrans-58.7-39.3171.2-63.3174.2000110.3P651 N652 F659 A660 L887P651-I656 VanDerWaalsContact O-CD1 3.31Å; P651-I656 WeakPolarHBondContact O-CD1 3.15Å; N652-I656 PolarHBondContact O-N 3.01Å; I656-F659 PolarHBondContact O-N 2.93Å; I656-A660 WeakPolarHBondContact O-CB 3.25Å; I656-A660 PolarHBondContact O-N 2.91Å; I656-L887 HydrophobicContact CD1-CD1 4.02Å; I656-L887 HydrophobicContact CD1-CD2 4.03Å; I656-L887 HydrophobicContact CD1-CG 4.03Å
657L88.8Confident84.3Confident83 Ų8333.4 Ų33.444%0.43519%0.185SC..Hα-helixtrans-69.2-37.2175.6-172.155.3000113F653 Y654 N655 F659 A660 L661 Y690F653-L657 WeakPolarHBondContact O-CB 3.23Å; F653-L657 PolarHBondContact O-N 3.46Å; Y654-L657 PolarHBondContact O-N 3.35Å; N655-L657 PolarHBondContact O-N 2.99Å; L657-F659 VanDerWaalsContact C-N 3.35Å; L657-A660 PolarHBondContact O-N 3.31Å; L657-L661 VanDerWaalsContact O-CG 3.31Å; L657-L661 WeakPolarHBondContact O-CG 2.95Å; L657-L661 PolarHBondContact O-N 3.33Å; L657-Y690 HydrophobicContact CD2-CE2 4.16Å
658F90.1Very high84.5Confident1 Ų137.1 Ų37.10%0.00420%0.199CC..Hα-helixtrans-61.4-41.1170.1-74-57.6000111.9L642 V645 Y654 N655 L661 W662 L687 Y690 T691 L748L642-F658 HydrophobicContact CD1-CB 4.15Å; L642-F658 HydrophobicContact CD1-CD1 3.75Å; L642-F658 HydrophobicContact CD1-CG 4.34Å; V645-F658 HydrophobicContact CG1-CD2 4.05Å; V645-F658 HydrophobicContact CG1-CE2 4.14Å; Y654-F658 HydrophobicContact CD2-CD2 4.35Å; Y654-F658 HydrophobicContact CD2-CE2 4.09Å; Y654-F658 WeakPolarHBondContact O-CD2 3.15Å; Y654-F658 PolarHBondContact O-N 3.35Å; N655-F658 PolarHBondContact O-N 3.21Å; N655-F658 VanDerWaalsContact O-N 3.16Å; F658-L661 PolarHBondContact O-N 3.39Å; F658-W662 PolarHBondContact O-N 3.33Å; F658-L687 HydrophobicContact CD1-CD1 3.97Å; F658-L687 HydrophobicContact CE1-CD1 3.81Å; F658-Y690 HydrophobicContact CD1-CD1 4.25Å; F658-Y690 AromaticContact CD1-CE1 3.95Å; F658-Y690 HydrophobicContact CD1-CE1 3.95Å; F658-Y690 AromaticContact CE1-CD1 3.54Å; F658-Y690 HydrophobicContact CE1-CD1 3.54Å; F658-Y690 AromaticContact CE1-CE1 3.48Å; F658-Y690 HydrophobicContact CE1-CE1 3.48Å; F658-Y690 VanDerWaalsContact CE1-CE1 3.48Å; F658-Y690 HydrophobicContact CE2-CE1 4.08Å; F658-Y690 HydrophobicContact CG-CE1 4.44Å; F658-Y690 AromaticContact CZ-CD1 3.85Å; F658-Y690 HydrophobicContact CZ-CD1 3.85Å; F658-Y690 AromaticContact CZ-CE1 3.54Å; F658-Y690 HydrophobicContact CZ-CE1 3.54Å; F658-T691 HydrophobicContact CE1-CG2 4.08Å; F658-T691 HydrophobicContact CZ-CG2 4.06Å; F658-L748 HydrophobicContact CD1-CD2 4.19Å; F658-L748 HydrophobicContact CE1-CD2 3.7Å; F658-L748 HydrophobicContact CZ-CD2 4.14Å
659F89.3Confident84.8Confident1 Ų136 Ų360%0.00419%0.19CC..Hα-helixtrans-65.2-42.9175.9-172.3-99.5000111.8L643 T647 N655 I656 L657 L661 W662 A663 A879 L880 M883 L931L643-F659 HydrophobicContact CD1-CD2 4.36Å; L643-F659 HydrophobicContact CD1-CE2 4.22Å; T647-F659 HydrophobicContact CG2-CD2 4.12Å; T647-F659 HydrophobicContact CG2-CE2 4.31Å; N655-F659 PolarHBondContact O-N 3.29Å; I656-F659 PolarHBondContact O-N 2.93Å; L657-F659 VanDerWaalsContact C-N 3.35Å; F659-L661 VanDerWaalsContact C-N 3.33Å; F659-L661 PolarHBondContact O-N 3.45Å; F659-W662 HydrophobicContact CD2-CE3 4.42Å; F659-W662 HydrophobicContact CE2-CE3 4.05Å; F659-W662 HydrophobicContact CE2-CZ3 4.13Å; F659-W662 HydrophobicContact CZ-CE3 4.4Å; F659-W662 HydrophobicContact CZ-CZ3 4.27Å; F659-W662 WeakPolarHBondContact O-CB 3.33Å; F659-W662 PolarHBondContact O-N 2.84Å; F659-W662 VanDerWaalsContact O-N 3.13Å; F659-A663 PolarHBondContact O-N 2.84Å; F659-A879 HydrophobicContact CE1-CB 3.96Å; F659-A879 HydrophobicContact CZ-CB 4.03Å; F659-L880 HydrophobicContact CD1-CD2 4.01Å; F659-L880 HydrophobicContact CE1-CD2 4.37Å; F659-M883 HydrophobicContact CB-CE 4.43Å; F659-M883 HydrophobicContact CB-SD 3.91Å; F659-M883 HydrophobicContact CD1-SD 3.49Å; F659-M883 WeakPolarHBondContact CD1-SD 3.39Å; F659-M883 HydrophobicContact CD2-SD 3.95Å; F659-M883 HydrophobicContact CE1-SD 3.92Å; F659-M883 HydrophobicContact CE2-SD 4.35Å; F659-M883 HydrophobicContact CG-CE 4.38Å; F659-M883 HydrophobicContact CG-SD 3.5Å; F659-M883 WeakPolarHBondContact CG-SD 3.45Å; F659-M883 HydrophobicContact CZ-SD 4.33Å; F659-L931 HydrophobicContact CE2-CD1 4.31Å; F659-L931 HydrophobicContact CZ-CD1 4.32Å
660A88.3Confident85.2Confident33 Ų3334.3 Ų34.327%0.27318%0.183SC..Hα-helixtrans-60.7-40.7175.400000112I656 L657 W662 A663 L664I656-A660 WeakPolarHBondContact O-CB 3.25Å; I656-A660 PolarHBondContact O-N 2.91Å; L657-A660 PolarHBondContact O-N 3.31Å; A660-W662 VanDerWaalsContact C-N 3.35Å; A660-A663 PolarHBondContact O-N 3.42Å; A660-L664 WeakPolarHBondContact O-CB 3.37Å; A660-L664 PolarHBondContact O-N 3.42Å
661L88.9Confident85.7Confident41 Ų4138.4 Ų38.422%0.21519%0.19CC..Hα-helixtrans-64.6-36173.7-71.7169.2000112.5L657 F658 F659 N665 F683 L687L657-L661 VanDerWaalsContact O-CG 3.31Å; L657-L661 WeakPolarHBondContact O-CG 2.95Å; L657-L661 PolarHBondContact O-N 3.33Å; F658-L661 PolarHBondContact O-N 3.39Å; F659-L661 VanDerWaalsContact C-N 3.33Å; F659-L661 PolarHBondContact O-N 3.45Å; L661-N665 WeakPolarHBondContact O-CB 3.39Å; L661-N665 PolarHBondContact O-N 2.83Å; L661-N665 VanDerWaalsContact O-N 3.11Å; L661-F683 HydrophobicContact CB-CE2 4.26Å; L661-F683 HydrophobicContact CB-CZ 4.24Å; L661-F683 HydrophobicContact CD2-CE2 4.04Å; L661-F683 WeakPolarHBondContact O-CZ 3.29Å; L661-L687 HydrophobicContact CD1-CD1 4.3Å
662W90.3Very high86Confident8 Ų839 Ų393%0.0319%0.194CC..Hα-helixtrans-67.3-45.5173.617890.5000112.5S639 L642 L643 F658 F659 A660 N665 L666 F876 I935 I938S639-W662 VanDerWaalsContact O-CD1 3.27Å; S639-W662 PolarHBondContact O-NE1 3.31Å; L642-W662 HydrophobicContact CD2-CB 4.02Å; L642-W662 HydrophobicContact CG-CB 4.19Å; L643-W662 HydrophobicContact CB-CG 4.5Å; L643-W662 HydrophobicContact CD1-CD2 3.96Å; L643-W662 HydrophobicContact CD1-CE3 4.2Å; L643-W662 HydrophobicContact CD1-CG 4.44Å; L643-W662 HydrophobicContact CD1-CH2 4.32Å; L643-W662 HydrophobicContact CD1-CZ2 4.06Å; L643-W662 HydrophobicContact CD1-CZ3 4.38Å; L643-W662 HydrophobicContact CD2-CZ2 3.95Å; L643-W662 HydrophobicContact CG-CZ2 4.5Å; F658-W662 PolarHBondContact O-N 3.33Å; F659-W662 HydrophobicContact CD2-CE3 4.42Å; F659-W662 HydrophobicContact CE2-CE3 4.05Å; F659-W662 HydrophobicContact CE2-CZ3 4.13Å; F659-W662 HydrophobicContact CZ-CE3 4.4Å; F659-W662 HydrophobicContact CZ-CZ3 4.27Å; F659-W662 WeakPolarHBondContact O-CB 3.33Å; F659-W662 PolarHBondContact O-N 2.84Å; F659-W662 VanDerWaalsContact O-N 3.13Å; A660-W662 VanDerWaalsContact C-N 3.35Å; W662-N665 WeakPolarHBondContact O-CB 3.19Å; W662-N665 PolarHBondContact O-N 3Å; W662-L666 HydrophobicContact CD2-CD1 4.32Å; W662-L666 HydrophobicContact CE3-CD1 4.39Å; W662-L666 HydrophobicContact CH2-CD1 3.64Å; W662-L666 HydrophobicContact CZ2-CD1 3.54Å; W662-L666 HydrophobicContact CZ3-CD1 4.07Å; W662-L666 PolarHBondContact O-N 3.32Å; W662-F876 HydrophobicContact CZ3-CE1 4.4Å; W662-I935 HydrophobicContact CH2-CG2 4.22Å; W662-I938 HydrophobicContact CH2-CG2 4.3Å
663A85.6Confident86Confident4 Ų441.3 Ų41.33%0.03320%0.203CC..Hα-helixtrans-62.4-45.5176.400000111.7F659 A660 N665 L666 I667 F876F659-A663 PolarHBondContact O-N 2.84Å; A660-A663 PolarHBondContact O-N 3.42Å; A663-N665 PolarHBondContact O-N 3.4Å; A663-L666 PolarHBondContact O-N 2.9Å; A663-L666 VanDerWaalsContact O-N 3.08Å; A663-I667 WeakPolarHBondContact O-CG1 3.33Å; A663-I667 PolarHBondContact O-N 3.32Å; A663-F876 HydrophobicContact CB-CD1 3.63Å; A663-F876 HydrophobicContact CB-CE1 3.64Å
664L85.1Confident85.8Confident62 Ų6247.8 Ų47.833%0.32523%0.225SC..Hα-helixtrans-61.3-38.8178.5178.3134.1000112.8A660 L666 I667 Y668 F683A660-L664 WeakPolarHBondContact O-CB 3.37Å; A660-L664 PolarHBondContact O-N 3.42Å; L664-L666 PolarHBondContact O-N 3.12Å; L664-I667 PolarHBondContact O-N 3.19Å; L664-Y668 HydrophobicContact CD2-CD2 4.07Å; L664-Y668 HydrophobicContact CD2-CE2 3.36Å; L664-Y668 HydrophobicContact CG-CD2 4.46Å; L664-Y668 HydrophobicContact CG-CE1 4.39Å; L664-Y668 HydrophobicContact CG-CE2 3.86Å; L664-Y668 PolarHBondContact O-N 3.26Å; L664-F683 HydrophobicContact CD2-CE2 4.28Å
665N86Confident85.7Confident5 Ų549.7 Ų49.73%0.02724%0.237CC..Hα-helixtrans-56.9-45.3170.4166.928.1000111.8S639 L661 W662 A663 L669 Y676 F683S639-N665 PolarHBondContact OG-ND2 3.49Å; L661-N665 WeakPolarHBondContact O-CB 3.39Å; L661-N665 PolarHBondContact O-N 2.83Å; L661-N665 VanDerWaalsContact O-N 3.11Å; W662-N665 WeakPolarHBondContact O-CB 3.19Å; W662-N665 PolarHBondContact O-N 3Å; A663-N665 PolarHBondContact O-N 3.4Å; N665-L669 PolarHBondContact O-N 3.49Å; N665-Y676 WeakPolarHBondContact OD1-CE2 3.11Å; N665-Y676 PolarHBondContact OD1-OH 2.89Å; N665-F683 HydrophobicContact CB-CE1 4.34Å; N665-F683 HydrophobicContact CB-CE2 4.43Å; N665-F683 HydrophobicContact CB-CZ 3.93Å
666L85.9Confident85.7Confident23 Ų2350.9 Ų50.912%0.1224%0.241CC..Hα-helixtrans-72.4-34.2176.3-66.5-177.6000113.8W662 A663 L664 L669 K670 F876 I938W662-L666 HydrophobicContact CD2-CD1 4.32Å; W662-L666 HydrophobicContact CE3-CD1 4.39Å; W662-L666 HydrophobicContact CH2-CD1 3.64Å; W662-L666 HydrophobicContact CZ2-CD1 3.54Å; W662-L666 HydrophobicContact CZ3-CD1 4.07Å; W662-L666 PolarHBondContact O-N 3.32Å; A663-L666 PolarHBondContact O-N 2.9Å; A663-L666 VanDerWaalsContact O-N 3.08Å; L664-L666 PolarHBondContact O-N 3.12Å; L666-L669 HydrophobicContact CD2-CD2 4.43Å; L666-L669 WeakPolarHBondContact O-CB 3.14Å; L666-L669 PolarHBondContact O-N 3.01Å; L666-K670 PolarHBondContact O-N 3.03Å; L666-F876 HydrophobicContact CB-CZ 3.92Å; L666-F876 HydrophobicContact CD1-CZ 4.48Å; L666-I938 HydrophobicContact CD1-CG2 3.82Å
667I82.6Confident85.5Confident75 Ų7554 Ų5439%0.38525%0.252SS..Hα-helixtrans-62.7-44.5174.4-69.8168.7000110.4A663 L664 L669 K670 F671 F876A663-I667 WeakPolarHBondContact O-CG1 3.33Å; A663-I667 PolarHBondContact O-N 3.32Å; L664-I667 PolarHBondContact O-N 3.19Å; I667-L669 VanDerWaalsContact C-N 3.31Å; I667-L669 PolarHBondContact O-N 3.3Å; I667-K670 PolarHBondContact O-N 3.04Å; I667-F671 VanDerWaalsContact O-CB 3.31Å; I667-F671 WeakPolarHBondContact O-CB 3.31Å; I667-F671 PolarHBondContact O-N 3.09Å; I667-F876 HydrophobicContact CD1-CD2 3.83Å; I667-F876 HydrophobicContact CD1-CE2 4.08Å; I667-F876 HydrophobicContact CD1-CG 4.27Å; I667-F876 HydrophobicContact CG1-CD2 3.67Å; I667-F876 HydrophobicContact CG1-CE2 3.43Å; I667-F876 VanDerWaalsContact CG1-CE2 3.43Å; I667-F876 HydrophobicContact CG1-CZ 4.08Å
668Y84.5Confident85.2Confident78 Ų7853 Ų5331%0.30626%0.261SS..Hα-helixtrans-61.7-37.2175.4-66.9-24000112.8L664 S672 L675 L679L664-Y668 HydrophobicContact CD2-CD2 4.07Å; L664-Y668 HydrophobicContact CD2-CE2 3.36Å; L664-Y668 HydrophobicContact CG-CD2 4.46Å; L664-Y668 HydrophobicContact CG-CE1 4.39Å; L664-Y668 HydrophobicContact CG-CE2 3.86Å; L664-Y668 PolarHBondContact O-N 3.26Å; Y668-S672 CarbonylContact O-C 3.56Å; Y668-S672 PolarHBondContact O-N 3.04Å; Y668-L675 HydrophobicContact CD1-CD2 4.06Å; Y668-L675 HydrophobicContact CG-CD2 4.11Å; Y668-L679 HydrophobicContact CD2-CD1 4.33Å; Y668-L679 HydrophobicContact CE2-CD1 4.01Å
669L84.5Confident85.1Confident22 Ų2256.7 Ų56.712%0.11528%0.281CS..Hα-helixtrans-64.1-43.5173.6177.262000112.3N665 L666 I667 F673 Y676 I946N665-L669 PolarHBondContact O-N 3.49Å; L666-L669 HydrophobicContact CD2-CD2 4.43Å; L666-L669 WeakPolarHBondContact O-CB 3.14Å; L666-L669 PolarHBondContact O-N 3.01Å; I667-L669 VanDerWaalsContact C-N 3.31Å; I667-L669 PolarHBondContact O-N 3.3Å; L669-F673 HydrophobicContact CD1-CD2 3.8Å; L669-F673 HydrophobicContact CD1-CE2 4.45Å; L669-Y676 HydrophobicContact CD1-CD1 4.29Å; L669-I946 HydrophobicContact CD2-CD1 4.31Å; L669-I946 HydrophobicContact CD2-CG1 4.47Å
670K84.5Confident84.8Confident26 Ų2656.8 Ų56.811%0.11328%0.282CS..Hα-helixtrans-66.9-41.6177.1-99.1-76-174.7-179.70112.5L666 I667 S868 L941 S945L666-K670 PolarHBondContact O-N 3.03Å; I667-K670 PolarHBondContact O-N 3.04Å; K670-S868 PolarHBondContact NZ-OG 3.33Å; K670-L941 VanDerWaalsContact CE-C 3.43Å; K670-L941 WeakPolarHBondContact CE-O 3.29Å; K670-L941 PolarHBondContact NZ-O 3.41Å; K670-S945 VanDerWaalsContact CE-OG 3.27Å; K670-S945 WeakPolarHBondContact CE-OG 3.48Å
671F83.1Confident84.8Confident147 Ų14761.3 Ų61.365%0.64529%0.293SS*.Hα-helixtrans-74.4-50.6-176.3-172.6-97.4000112.5I667I667-F671 VanDerWaalsContact O-CB 3.31Å; I667-F671 WeakPolarHBondContact O-CB 3.31Å; I667-F671 PolarHBondContact O-N 3.09Å
672S82.8Confident84.7Confident39 Ų3961.7 Ų61.727%0.27330%0.302SS..  trans-163.3111.1176.1-177.50000113.4Y668 R674 L675 Y676Y668-S672 CarbonylContact O-C 3.56Å; Y668-S672 PolarHBondContact O-N 3.04Å; S672-R674 PolarHBondContact O-N 2.69Å; S672-R674 VanDerWaalsContact O-N 3.09Å; S672-L675 PolarHBondContact O-N 3.33Å; S672-Y676 PolarHBondContact O-N 3.03Å
673F81Confident84.6Confident75 Ų7562.9 Ų62.933%0.32931%0.307SS..Hα-helixtrans-55.7-28.3174.8-175.7-105.5000113.9L669 Y676 R677 T767L669-F673 HydrophobicContact CD1-CD2 3.8Å; L669-F673 HydrophobicContact CD1-CE2 4.45Å; F673-Y676 HydrophobicContact CD2-CD1 4.29Å; F673-Y676 HydrophobicContact CE2-CD1 4.35Å; F673-R677 PolarHBondContact O-N 2.89Å; F673-T767 HydrophobicContact CZ-CG2 4.35Å
674R81.7Confident84.7Confident225 Ų22562.7 Ų62.785%0.84931%0.306SS*.Hα-helixtrans-66.7-42.8175.6-70.7-174.1-179.4176.81.8111.9S672S672-R674 PolarHBondContact O-N 2.69Å; S672-R674 VanDerWaalsContact O-N 3.09Å
675L83.6Confident84.7Confident73 Ų7364 Ų6438%0.38231%0.313SS..Hα-helixtrans-70.1-43.6179.4-177149.3000110.4Y668 S672 R677 G678 L679Y668-L675 HydrophobicContact CD1-CD2 4.06Å; Y668-L675 HydrophobicContact CG-CD2 4.11Å; S672-L675 PolarHBondContact O-N 3.33Å; L675-R677 PolarHBondContact O-N 2.9Å; L675-G678 PolarHBondContact O-N 3.14Å; L675-G678 VanDerWaalsContact O-N 3.1Å; L675-L679 HydrophobicContact CD2-CD1 3.63Å; L675-L679 HydrophobicContact CD2-CG 4.4Å; L675-L679 HydrophobicContact CG-CD1 4.35Å; L675-L679 PolarHBondContact O-N 3.36Å; L675-L679 VanDerWaalsContact O-N 3.17Å
676Y85.4Confident84.8Confident27 Ų2768.2 Ų68.211%0.10634%0.339CS..Hα-helixtrans-52-51.1174.9178.5-117.3000113.1I635 N665 L669 S672 F673 G678 L679 A680 W763I635-Y676 WeakPolarHBondContact CD1-OH 3.36Å; N665-Y676 WeakPolarHBondContact OD1-CE2 3.11Å; N665-Y676 PolarHBondContact OD1-OH 2.89Å; L669-Y676 HydrophobicContact CD1-CD1 4.29Å; S672-Y676 PolarHBondContact O-N 3.03Å; F673-Y676 HydrophobicContact CD2-CD1 4.29Å; F673-Y676 HydrophobicContact CE2-CD1 4.35Å; Y676-G678 PolarHBondContact O-N 3.18Å; Y676-L679 PolarHBondContact O-N 3.28Å; Y676-A680 PolarHBondContact O-N 3.43Å; Y676-W763 HydrophobicContact CE1-CH2 4.19Å; Y676-W763 HydrophobicContact CE1-CZ2 4.15Å
677R83.4Confident84.9Confident87 Ų8767.3 Ų67.333%0.32833%0.334SS..Hα-helixtrans-62.7-28.7-179.7-166.6-178.366.5121.34.4113.1F673 L675 W763F673-R677 PolarHBondContact O-N 2.89Å; L675-R677 PolarHBondContact O-N 2.9Å; R677-W763 HydrophobicContact CG-CH2 4.19Å; R677-W763 HydrophobicContact CG-CZ3 4.17Å
678G83.7Confident85Confident61 Ų6163.9 Ų63.963%0.62932%0.317SS*.Hα-helixtrans-74.5-42.6177.400000113.4L675 Y676L675-G678 PolarHBondContact O-N 3.14Å; L675-G678 VanDerWaalsContact O-N 3.1Å; Y676-G678 PolarHBondContact O-N 3.18Å
679L86.2Confident85.1Confident78 Ų7867 Ų6741%0.40833%0.332SS..Hα-helixtrans-81.7-16.8-176.5-63.6-179.5000114.1Y668 L675 Y676 Y681 A682 F683Y668-L679 HydrophobicContact CD2-CD1 4.33Å; Y668-L679 HydrophobicContact CE2-CD1 4.01Å; L675-L679 HydrophobicContact CD2-CD1 3.63Å; L675-L679 HydrophobicContact CD2-CG 4.4Å; L675-L679 HydrophobicContact CG-CD1 4.35Å; L675-L679 PolarHBondContact O-N 3.36Å; L675-L679 VanDerWaalsContact O-N 3.17Å; Y676-L679 PolarHBondContact O-N 3.28Å; L679-Y681 VanDerWaalsContact C-N 3.34Å; L679-Y681 PolarHBondContact O-N 3.43Å; L679-A682 PolarHBondContact O-N 3.1Å; L679-A682 VanDerWaalsContact O-N 3.11Å; L679-F683 PolarHBondContact O-N 3.22Å
680A84.8Confident85.3Confident3 Ų368.6 Ų68.63%0.02534%0.337CS..Hα-helixtrans-53-41.5-171.800000114.8Y676 F683 W684 W763Y676-A680 PolarHBondContact O-N 3.43Å; A680-F683 PolarHBondContact O-N 2.88Å; A680-W684 PolarHBondContact O-N 3.46Å; A680-W684 VanDerWaalsContact O-N 3.17Å; A680-W684 PolarHBondContact O-NE1 2.69Å; A680-W763 HydrophobicContact CB-CH2 4.34Å; A680-W763 HydrophobicContact CB-CZ3 4.13Å
681Y86.5Confident85.4Confident128 Ų12867.3 Ų67.350%0.50233%0.331SS..Hα-helixtrans-65.4-44179.3-175.6-96.6000112.3L679 L685 L756 H760L679-Y681 VanDerWaalsContact C-N 3.34Å; L679-Y681 PolarHBondContact O-N 3.43Å; Y681-L685 PolarHBondContact O-N 3.28Å; Y681-L685 VanDerWaalsContact O-N 3.14Å; Y681-L756 HydrophobicContact CD2-CD2 4.07Å; Y681-L756 HydrophobicContact CE2-CD2 3.84Å; Y681-H760 AromaticContact CD2-CD2 3.81Å; Y681-H760 AromaticContact CD2-NE2 3.79Å
682A87.8Confident85.4Confident50 Ų5061.8 Ų61.841%0.41331%0.311SS..Hα-helixtrans-63.8-43.3176.900000111.2L679 W684 L685 T686L679-A682 PolarHBondContact O-N 3.1Å; L679-A682 VanDerWaalsContact O-N 3.11Å; A682-W684 PolarHBondContact O-N 3.34Å; A682-L685 PolarHBondContact O-N 3.48Å; A682-T686 WeakPolarHBondContact O-CB 3.48Å; A682-T686 PolarHBondContact O-N 3.2Å; A682-T686 PolarHBondContact O-OG1 3.34Å
683F88.2Confident85.6Confident32 Ų3264.1 Ų64.114%0.1432%0.319CS..Hα-helixtrans-56.4-49.5177.4-176.4-98.2000112.5L642 L661 L664 N665 L679 A680 L685 T686 L687L642-F683 HydrophobicContact CD2-CZ 4.31Å; L661-F683 HydrophobicContact CB-CE2 4.26Å; L661-F683 HydrophobicContact CB-CZ 4.24Å; L661-F683 HydrophobicContact CD2-CE2 4.04Å; L661-F683 WeakPolarHBondContact O-CZ 3.29Å; L664-F683 HydrophobicContact CD2-CE2 4.28Å; N665-F683 HydrophobicContact CB-CE1 4.34Å; N665-F683 HydrophobicContact CB-CE2 4.43Å; N665-F683 HydrophobicContact CB-CZ 3.93Å; L679-F683 PolarHBondContact O-N 3.22Å; A680-F683 PolarHBondContact O-N 2.88Å; F683-L685 PolarHBondContact O-N 3Å; F683-T686 PolarHBondContact O-N 3.16Å; F683-L687 WeakPolarHBondContact O-CB 3.38Å; F683-L687 PolarHBondContact O-N 3.14Å
684W87.5Confident85.8Confident1 Ų161.2 Ų61.20%0.00431%0.308CS..Hα-helixtrans-66.8-34.5178.6-58.1125.9000113I635 V638 A680 A682 L687 T688 Q755 L756I635-W684 HydrophobicContact CD1-CZ2 4.2Å; I635-W684 HydrophobicContact CG1-CZ2 3.81Å; V638-W684 HydrophobicContact CB-CH2 4.11Å; V638-W684 HydrophobicContact CB-CZ3 4.02Å; V638-W684 HydrophobicContact CG1-CE3 3.74Å; V638-W684 HydrophobicContact CG1-CH2 3.94Å; V638-W684 HydrophobicContact CG1-CZ3 3.34Å; A680-W684 PolarHBondContact O-N 3.46Å; A680-W684 VanDerWaalsContact O-N 3.17Å; A680-W684 PolarHBondContact O-NE1 2.69Å; A682-W684 PolarHBondContact O-N 3.34Å; W684-L687 HydrophobicContact CE3-CD2 4.02Å; W684-L687 HydrophobicContact CZ3-CD2 4.06Å; W684-T688 PolarHBondContact O-N 3.49Å; W684-T688 VanDerWaalsContact O-N 3.12Å; W684-T688 PolarHBondContact O-OG1 3.15Å; W684-Q755 HydrophobicContact CD2-CG 4.47Å; W684-Q755 HydrophobicContact CG-CG 4.31Å; W684-L756 HydrophobicContact CB-CD1 4.47Å; W684-L756 HydrophobicContact CB-CD2 3.93Å; W684-L756 HydrophobicContact CB-CG 4.11Å
685L86.1Confident85.9Confident89 Ų8951 Ų5147%0.46627%0.27SS..Hα-helixtrans-67.4-48.5175.9-177.163.4000111.6Y681 A682 F683 L687 T688 F689Y681-L685 PolarHBondContact O-N 3.28Å; Y681-L685 VanDerWaalsContact O-N 3.14Å; A682-L685 PolarHBondContact O-N 3.48Å; F683-L685 PolarHBondContact O-N 3Å; L685-L687 PolarHBondContact O-N 3.12Å; L685-T688 PolarHBondContact O-N 3.29Å; L685-F689 PolarHBondContact O-N 2.78Å
686T86.4Confident85.8Confident94 Ų9451.2 Ų51.258%0.57727%0.271SS*.Hα-helixtrans-60-44.9177.2-58.40000111.4A682 F683 T688 F689 Y690A682-T686 WeakPolarHBondContact O-CB 3.48Å; A682-T686 PolarHBondContact O-N 3.2Å; A682-T686 PolarHBondContact O-OG1 3.34Å; F683-T686 PolarHBondContact O-N 3.16Å; T686-T688 VanDerWaalsContact C-N 3.32Å; T686-T688 PolarHBondContact O-N 3.48Å; T686-F689 PolarHBondContact O-N 2.98Å; T686-Y690 WeakPolarHBondContact O-CB 3.25Å; T686-Y690 PolarHBondContact O-N 3.17Å
687L88.8Confident85.7Confident3 Ų352 Ų522%0.01628%0.283CS..Hα-helixtrans-59.1-42.8176.4-178.161.3000111.8L642 F658 L661 F683 W684 L685 Y690 T691 L748 T752L642-L687 HydrophobicContact CD1-CD1 4Å; L642-L687 HydrophobicContact CD1-CD2 4.22Å; L642-L687 HydrophobicContact CD2-CD2 4.4Å; F658-L687 HydrophobicContact CD1-CD1 3.97Å; F658-L687 HydrophobicContact CE1-CD1 3.81Å; L661-L687 HydrophobicContact CD1-CD1 4.3Å; F683-L687 WeakPolarHBondContact O-CB 3.38Å; F683-L687 PolarHBondContact O-N 3.14Å; W684-L687 HydrophobicContact CE3-CD2 4.02Å; W684-L687 HydrophobicContact CZ3-CD2 4.06Å; L685-L687 PolarHBondContact O-N 3.12Å; L687-Y690 PolarHBondContact O-N 3.19Å; L687-T691 PolarHBondContact O-N 3.17Å; L687-T691 PolarHBondContact O-OG1 3.13Å; L687-L748 HydrophobicContact CD1-CD2 4.42Å; L687-L748 HydrophobicContact CD2-CD1 4.45Å; L687-T752 HydrophobicContact CD2-CG2 3.79Å; L687-T752 HydrophobicContact CG-CG2 4.21Å
688T85.6Confident85.7Confident4 Ų448.1 Ų48.13%0.02527%0.268CS..Hα-helixtrans-68.2-40.3179.6-48.80000111.7W684 L685 T686 T691 S692 F749 T752 M753W684-T688 PolarHBondContact O-N 3.49Å; W684-T688 VanDerWaalsContact O-N 3.12Å; W684-T688 PolarHBondContact O-OG1 3.15Å; L685-T688 PolarHBondContact O-N 3.29Å; T686-T688 VanDerWaalsContact C-N 3.32Å; T686-T688 PolarHBondContact O-N 3.48Å; T688-T691 WeakPolarHBondContact CA-OG1 3.37Å; T688-T691 PolarHBondContact O-N 3.47Å; T688-T691 PolarHBondContact O-OG1 3.21Å; T688-S692 PolarHBondContact O-N 3.02Å; T688-S692 VanDerWaalsContact O-N 3.12Å; T688-S692 PolarHBondContact O-OG 3.37Å; T688-S692 VanDerWaalsContact O-OG 3.12Å; T688-F749 HydrophobicContact CG2-CD2 3.66Å; T688-F749 HydrophobicContact CG2-CE2 3.83Å; T688-T752 VanDerWaalsContact OG1-CB 3.23Å; T688-T752 WeakPolarHBondContact OG1-CB 3.27Å; T688-T752 PolarHBondContact OG1-OG1 2.98Å; T688-M753 HydrophobicContact CG2-CE 3.83Å; T688-M753 HydrophobicContact CG2-CG 4.03Å
689F85.9Confident85.6Confident143 Ų14345.3 Ų45.363%0.62724%0.239SC*.Hα-helixtrans-63-43.2175.2-175.1-108.4000111.6L685 T686 S692 I693L685-F689 PolarHBondContact O-N 2.78Å; T686-F689 PolarHBondContact O-N 2.98Å; F689-S692 WeakPolarHBondContact O-CB 3.41Å; F689-S692 PolarHBondContact O-N 3.1Å; F689-I693 HydrophobicContact CD1-CD1 3.98Å; F689-I693 HydrophobicContact CE1-CD1 3.58Å; F689-I693 HydrophobicContact CZ-CD1 4Å; F689-I693 PolarHBondContact O-N 3.45Å
690Y88.4Confident85.5Confident55 Ų5544.7 Ų44.722%0.21624%0.235CC..Hα-helixtrans-59.5-46.7174.6179.8-117.8000112.2Y654 L657 F658 T686 L687 S692 I693 V694Y654-Y690 WeakPolarHBondContact CA-OH 3.27Å; Y654-Y690 VanDerWaalsContact CB-OH 3.24Å; Y654-Y690 WeakPolarHBondContact CB-OH 3.37Å; L657-Y690 HydrophobicContact CD2-CE2 4.16Å; F658-Y690 HydrophobicContact CD1-CD1 4.25Å; F658-Y690 AromaticContact CD1-CE1 3.95Å; F658-Y690 HydrophobicContact CD1-CE1 3.95Å; F658-Y690 AromaticContact CE1-CD1 3.54Å; F658-Y690 HydrophobicContact CE1-CD1 3.54Å; F658-Y690 AromaticContact CE1-CE1 3.48Å; F658-Y690 HydrophobicContact CE1-CE1 3.48Å; F658-Y690 VanDerWaalsContact CE1-CE1 3.48Å; F658-Y690 HydrophobicContact CE2-CE1 4.08Å; F658-Y690 HydrophobicContact CG-CE1 4.44Å; F658-Y690 AromaticContact CZ-CD1 3.85Å; F658-Y690 HydrophobicContact CZ-CD1 3.85Å; F658-Y690 AromaticContact CZ-CE1 3.54Å; F658-Y690 HydrophobicContact CZ-CE1 3.54Å; T686-Y690 WeakPolarHBondContact O-CB 3.25Å; T686-Y690 PolarHBondContact O-N 3.17Å; L687-Y690 PolarHBondContact O-N 3.19Å; Y690-S692 VanDerWaalsContact C-N 3.3Å; Y690-S692 PolarHBondContact O-N 3.19Å; Y690-I693 PolarHBondContact O-N 3.5Å; Y690-I693 VanDerWaalsContact O-N 3.17Å; Y690-V694 HydrophobicContact CE1-CG2 4.44Å; Y690-V694 HydrophobicContact CE2-CG2 4.22Å; Y690-V694 PolarHBondContact O-N 3.48Å; Y690-V694 VanDerWaalsContact O-N 3.11Å
691T87.5Confident85.4Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-60.5-36.517650.50000113.4F658 L687 T688 I693 V694 I695 L748F658-T691 HydrophobicContact CE1-CG2 4.08Å; F658-T691 HydrophobicContact CZ-CG2 4.06Å; L687-T691 PolarHBondContact O-N 3.17Å; L687-T691 PolarHBondContact O-OG1 3.13Å; T688-T691 WeakPolarHBondContact CA-OG1 3.37Å; T688-T691 PolarHBondContact O-N 3.47Å; T688-T691 PolarHBondContact O-OG1 3.21Å; T691-I693 VanDerWaalsContact C-N 3.34Å; T691-I693 PolarHBondContact O-N 3.34Å; T691-V694 PolarHBondContact O-N 3.08Å; T691-I695 WeakPolarHBondContact O-CD1 3.34Å; T691-I695 VanDerWaalsContact O-CG1 3.31Å; T691-I695 WeakPolarHBondContact O-CG1 3.44Å; T691-I695 PolarHBondContact O-N 2.87Å; T691-L748 HydrophobicContact CG2-CB 4.3Å; T691-L748 HydrophobicContact CG2-CD2 3.66Å; T691-L748 HydrophobicContact CG2-CG 3.89Å
692S83.3Confident85Confident30 Ų3039.6 Ų39.621%0.2122%0.215CC..Hα-helixtrans-63.6-39.2176.6-59.60000112.3T688 F689 Y690 I696 F749T688-S692 PolarHBondContact O-N 3.02Å; T688-S692 VanDerWaalsContact O-N 3.12Å; T688-S692 PolarHBondContact O-OG 3.37Å; T688-S692 VanDerWaalsContact O-OG 3.12Å; F689-S692 WeakPolarHBondContact O-CB 3.41Å; F689-S692 PolarHBondContact O-N 3.1Å; Y690-S692 VanDerWaalsContact C-N 3.3Å; Y690-S692 PolarHBondContact O-N 3.19Å; S692-I696 WeakPolarHBondContact O-CD1 3.34Å; S692-I696 VanDerWaalsContact O-CG1 3.3Å; S692-I696 WeakPolarHBondContact O-CG1 3.27Å; S692-I696 PolarHBondContact O-N 3.37Å; S692-F749 WeakPolarHBondContact OG-CE2 3.47Å
693I85.2Confident84.5Confident88 Ų8838.1 Ų38.145%0.45120%0.199SC..Hα-helixtrans-66.2-45.4177-67.5171.3000110.4F689 Y690 T691 I695 I696 A697F689-I693 HydrophobicContact CD1-CD1 3.98Å; F689-I693 HydrophobicContact CE1-CD1 3.58Å; F689-I693 HydrophobicContact CZ-CD1 4Å; F689-I693 PolarHBondContact O-N 3.45Å; Y690-I693 PolarHBondContact O-N 3.5Å; Y690-I693 VanDerWaalsContact O-N 3.17Å; T691-I693 VanDerWaalsContact C-N 3.34Å; T691-I693 PolarHBondContact O-N 3.34Å; I693-I695 PolarHBondContact O-N 2.91Å; I693-I696 PolarHBondContact O-N 3Å; I693-A697 WeakPolarHBondContact O-CB 3.46Å; I693-A697 PolarHBondContact O-N 2.83Å
694V85.1Confident83.8Confident15 Ų1539.5 Ų39.59%0.09121%0.211CC..Hα-helixtrans-59.6-46178.7173.70000111.5Y690 T691 I696 A697 L698 P745Y690-V694 HydrophobicContact CE1-CG2 4.44Å; Y690-V694 HydrophobicContact CE2-CG2 4.22Å; Y690-V694 PolarHBondContact O-N 3.48Å; Y690-V694 VanDerWaalsContact O-N 3.11Å; T691-V694 PolarHBondContact O-N 3.08Å; V694-I696 PolarHBondContact O-N 2.83Å; V694-A697 PolarHBondContact O-N 2.98Å; V694-L698 HydrophobicContact CG1-CD1 3.77Å; V694-L698 HydrophobicContact CG1-CG 4.39Å; V694-L698 WeakPolarHBondContact O-CB 3.47Å; V694-L698 WeakPolarHBondContact O-CG 3.46Å; V694-L698 PolarHBondContact O-N 3.16Å; V694-P745 HydrophobicContact CG1-CG 4.4Å
695I84.1Confident83.2Confident10 Ų1041.6 Ų41.65%0.05123%0.233CC..Hα-helixtrans-59.1-45.2177.4-68.3161.5000111.5T691 I693 Y699 L742 P745 I746 F749T691-I695 WeakPolarHBondContact O-CD1 3.34Å; T691-I695 VanDerWaalsContact O-CG1 3.31Å; T691-I695 WeakPolarHBondContact O-CG1 3.44Å; T691-I695 PolarHBondContact O-N 2.87Å; I693-I695 PolarHBondContact O-N 2.91Å; I695-Y699 PolarHBondContact O-N 2.96Å; I695-L742 HydrophobicContact CG2-CD2 4.31Å; I695-P745 HydrophobicContact CD1-CB 4.21Å; I695-P745 HydrophobicContact CG1-CB 3.69Å; I695-I746 HydrophobicContact CD1-CG1 3.92Å; I695-I746 HydrophobicContact CG1-CG1 4.26Å; I695-F749 HydrophobicContact CD1-CB 4.27Å
696I82.2Confident82.8Confident78 Ų7839.3 Ų39.340%0.422%0.223SC..Hα-helixtrans-69-42.7-178.2-69168.4000111S692 I693 V694 Y699 I700S692-I696 WeakPolarHBondContact O-CD1 3.34Å; S692-I696 VanDerWaalsContact O-CG1 3.3Å; S692-I696 WeakPolarHBondContact O-CG1 3.27Å; S692-I696 PolarHBondContact O-N 3.37Å; I693-I696 PolarHBondContact O-N 3Å; V694-I696 PolarHBondContact O-N 2.83Å; I696-Y699 PolarHBondContact O-N 3.36Å; I696-I700 HydrophobicContact CG2-CD1 3.61Å; I696-I700 HydrophobicContact CG2-CG1 4.39Å; I696-I700 WeakPolarHBondContact O-CB 3.36Å; I696-I700 WeakPolarHBondContact O-CG1 3.18Å; I696-I700 PolarHBondContact O-N 2.89Å
697A82.7Confident82.3Confident43 Ų4335.3 Ų35.336%0.35520%0.199SC..Hα-helixtrans-62.6-46.9178.800000112.1I693 V694 Y699 I700 Y701I693-A697 WeakPolarHBondContact O-CB 3.46Å; I693-A697 PolarHBondContact O-N 2.83Å; V694-A697 PolarHBondContact O-N 2.98Å; A697-Y699 PolarHBondContact O-N 3.4Å; A697-I700 PolarHBondContact O-N 3.44Å; A697-Y701 PolarHBondContact O-N 3.01Å; A697-Y701 VanDerWaalsContact O-N 3.09Å
698L83.2Confident81.7Confident5 Ų540.8 Ų40.83%0.02622%0.224CC..Hα-helixtrans-63.1-40179.6-71171.5000112.6V694 Q702 L742V694-L698 HydrophobicContact CG1-CD1 3.77Å; V694-L698 HydrophobicContact CG1-CG 4.39Å; V694-L698 WeakPolarHBondContact O-CB 3.47Å; V694-L698 WeakPolarHBondContact O-CG 3.46Å; V694-L698 PolarHBondContact O-N 3.16Å; L698-Q702 WeakPolarHBondContact O-CG 3.44Å; L698-Q702 PolarHBondContact O-NE2 3.28Å; L698-Q702 VanDerWaalsContact O-NE2 3.13Å; L698-L742 HydrophobicContact CB-CD1 3.91Å; L698-L742 HydrophobicContact CD1-CD1 4.46Å
699Y81.7Confident81.5Confident2 Ų248 Ų481%0.00825%0.251CS..Hα-helixtrans-68.9-44177-168.1-79.2000111.9A476 L477 H480 L485 L488 I695 I696 A697 Y701 Q702 F703 L742A476-Y699 WeakPolarHBondContact O-CE2 3.41Å; A476-Y699 PolarHBondContact O-OH 3.19Å; L477-Y699 HydrophobicContact CD2-CE2 4.5Å; H480-Y699 AromaticContact CD2-CZ 3.81Å; H480-Y699 AromaticContact NE2-CE1 4Å; L485-Y699 HydrophobicContact CB-CE1 3.95Å; L485-Y699 HydrophobicContact CD1-CD1 3.85Å; L485-Y699 HydrophobicContact CD1-CE1 3.93Å; L485-Y699 HydrophobicContact CG-CE1 4.47Å; L488-Y699 HydrophobicContact CD2-CD1 4.41Å; L488-Y699 HydrophobicContact CD2-CD2 3.74Å; L488-Y699 HydrophobicContact CD2-CE2 4.06Å; L488-Y699 HydrophobicContact CD2-CG 3.93Å; I695-Y699 PolarHBondContact O-N 2.96Å; I696-Y699 PolarHBondContact O-N 3.36Å; A697-Y699 PolarHBondContact O-N 3.4Å; Y699-Y701 VanDerWaalsContact C-N 3.28Å; Y699-Y701 PolarHBondContact O-N 3.1Å; Y699-Q702 PolarHBondContact O-N 3.5Å; Y699-F703 HydrophobicContact CD1-CE2 4.24Å; Y699-F703 HydrophobicContact CE1-CE2 4Å; Y699-F703 HydrophobicContact CE1-CZ 4.38Å; Y699-L742 HydrophobicContact CD2-CD2 4.37Å
700I84Confident81.2Confident65 Ų6542.7 Ų42.733%0.33323%0.229SC..Hα-helixtrans-65.3-31.6-179.3-74.2175.9000112.1I696 A697 Q702 F703 V706I696-I700 HydrophobicContact CG2-CD1 3.61Å; I696-I700 HydrophobicContact CG2-CG1 4.39Å; I696-I700 WeakPolarHBondContact O-CB 3.36Å; I696-I700 WeakPolarHBondContact O-CG1 3.18Å; I696-I700 PolarHBondContact O-N 2.89Å; A697-I700 PolarHBondContact O-N 3.44Å; I700-Q702 PolarHBondContact O-N 3.28Å; I700-F703 PolarHBondContact O-N 3.15Å; I700-V706 HydrophobicContact CG2-CG1 3.82Å
701Y82.5Confident80.9Confident11 Ų1143.8 Ų43.84%0.04324%0.238CC..Hα-helixtrans-65.3-23.4-179.7-163.1-100.8000114A697 Y699 F703 I710 L726 D728A697-Y701 PolarHBondContact O-N 3.01Å; A697-Y701 VanDerWaalsContact O-N 3.09Å; Y699-Y701 VanDerWaalsContact C-N 3.28Å; Y699-Y701 PolarHBondContact O-N 3.1Å; Y701-F703 VanDerWaalsContact C-N 3.28Å; Y701-F703 PolarHBondContact O-N 2.93Å; Y701-I710 HydrophobicContact CD2-CD1 3.73Å; Y701-I710 HydrophobicContact CE2-CD1 4Å; Y701-L726 HydrophobicContact CD2-CB 4.16Å; Y701-L726 HydrophobicContact CD2-CD2 4.3Å; Y701-L726 HydrophobicContact CE1-CB 4.37Å; Y701-L726 VanDerWaalsContact CE1-O 3.27Å; Y701-L726 WeakPolarHBondContact CE1-O 3.26Å; Y701-L726 HydrophobicContact CE2-CB 4.03Å; Y701-L726 HydrophobicContact CG-CB 4.4Å; Y701-L726 HydrophobicContact CG-CD2 4.38Å; Y701-L726 PolarHBondContact OH-O 2.77Å; Y701-D728 HydrophobicContact CE1-CB 4.42Å
702Q79.6Confident80.7Confident13 Ų1353.1 Ų53.16%0.06127%0.273CS..THydrogen-bonded Turntrans-77.4-7.2-176.6-50.2-51.7-59.500114.4L698 Y699 I700 P704 V727 L738L698-Q702 WeakPolarHBondContact O-CG 3.44Å; L698-Q702 PolarHBondContact O-NE2 3.28Å; L698-Q702 VanDerWaalsContact O-NE2 3.13Å; Y699-Q702 PolarHBondContact O-N 3.5Å; I700-Q702 PolarHBondContact O-N 3.28Å; Q702-P704 WeakPolarHBondContact O-CD 3.46Å; Q702-V727 PolarHBondContact NE2-O 2.85Å; Q702-L738 HydrophobicContact CG-CD1 3.69Å; Q702-L738 HydrophobicContact CG-CD2 4.23Å
703F77.5Confident80.8Confident20 Ų2056.6 Ų56.69%0.08829%0.289CS..SBendtrans-77.7119.6170.5-71.5-87.5000108.9H480 I482 Y699 I700 Y701 G705 V706 S707H480-F703 AromaticContact CE1-CD1 3.78Å; H480-F703 AromaticContact CE1-CD2 3.72Å; H480-F703 AromaticContact CE1-CE1 3.6Å; H480-F703 AromaticContact CE1-CE2 3.55Å; H480-F703 AromaticContact CE1-CG 3.84Å; H480-F703 AromaticContact CE1-CZ 3.48Å; H480-F703 VanDerWaalsContact CE1-CZ 3.48Å; H480-F703 WeakPolarHBondContact CE1-CZ 3.18Å; H480-F703 AromaticContact NE2-CD2 3.8Å; H480-F703 AromaticContact NE2-CE2 3.46Å; H480-F703 WeakPolarHBondContact NE2-CE2 3.36Å; H480-F703 AromaticContact NE2-CZ 3.74Å; I482-F703 HydrophobicContact CG1-CE1 3.73Å; I482-F703 HydrophobicContact CG1-CZ 4.06Å; Y699-F703 HydrophobicContact CD1-CE2 4.24Å; Y699-F703 HydrophobicContact CE1-CE2 4Å; Y699-F703 HydrophobicContact CE1-CZ 4.38Å; I700-F703 PolarHBondContact O-N 3.15Å; Y701-F703 VanDerWaalsContact C-N 3.28Å; Y701-F703 PolarHBondContact O-N 2.93Å; F703-G705 PolarHBondContact O-N 2.87Å; F703-G705 VanDerWaalsContact O-N 3.13Å; F703-V706 HydrophobicContact CB-CB 4.13Å; F703-V706 HydrophobicContact CB-CG2 3.76Å; F703-V706 WeakPolarHBondContact O-CA 3.39Å; F703-V706 WeakPolarHBondContact O-CB 3.42Å; F703-V706 PolarHBondContact O-N 3Å; F703-S707 PolarHBondContact O-N 3.46Å; F703-S707 VanDerWaalsContact O-N 3.11Å
704P73.1Confident80.3Confident60 Ų6055.3 Ų55.339%0.3929%0.285SS..Hα-helixtrans-64.4-24-174.123.8-33.9000113.4Q702 V706 S707 Q708Q702-P704 WeakPolarHBondContact O-CD 3.46Å; P704-V706 VanDerWaalsContact C-N 3.31Å; P704-S707 PolarHBondContact O-OG 3.13Å; P704-Q708 WeakPolarHBondContact O-CB 3.19Å; P704-Q708 VanDerWaalsContact O-CG 3.24Å; P704-Q708 WeakPolarHBondContact O-CG 3.32Å; P704-Q708 PolarHBondContact O-N 2.74Å
705G74.2Confident79.8Confident45 Ų4560.2 Ų60.246%0.46432%0.321SS..Hα-helixtrans-71.3-22.7170.300000114F703 W709F703-G705 PolarHBondContact O-N 2.87Å; F703-G705 VanDerWaalsContact O-N 3.13Å; G705-W709 VanDerWaalsContact O-CB 3.3Å; G705-W709 WeakPolarHBondContact O-CB 3.23Å; G705-W709 PolarHBondContact O-N 3.17Å
706V77.6Confident79.4Confident42 Ų4263 Ų6326%0.25534%0.336SS..Hα-helixtrans-92.2-41-179.2-177.30000111.7I700 F703 P704 Q708 W709 I710I700-V706 HydrophobicContact CG2-CG1 3.82Å; F703-V706 HydrophobicContact CB-CB 4.13Å; F703-V706 HydrophobicContact CB-CG2 3.76Å; F703-V706 WeakPolarHBondContact O-CA 3.39Å; F703-V706 WeakPolarHBondContact O-CB 3.42Å; F703-V706 PolarHBondContact O-N 3Å; P704-V706 VanDerWaalsContact C-N 3.31Å; V706-Q708 VanDerWaalsContact C-N 3.34Å; V706-Q708 PolarHBondContact O-N 3.03Å; V706-W709 WeakPolarHBondContact O-CB 3.49Å; V706-W709 PolarHBondContact O-N 3.48Å; V706-W709 VanDerWaalsContact O-N 3.1Å; V706-I710 HydrophobicContact CG1-CD1 4.11Å; V706-I710 HydrophobicContact CG1-CG1 4.44Å; V706-I710 WeakPolarHBondContact O-CG1 3.44Å; V706-I710 PolarHBondContact O-N 3.32Å
707S75.7Confident79.2Confident10 Ų1061.9 Ų61.97%0.0733%0.334CS..Hα-helixtrans-58.9-46.9172.958.40000110.9F703 P704 W709 I710 I711F703-S707 PolarHBondContact O-N 3.46Å; F703-S707 VanDerWaalsContact O-N 3.11Å; P704-S707 PolarHBondContact O-OG 3.13Å; S707-W709 VanDerWaalsContact C-N 3.31Å; S707-W709 PolarHBondContact O-N 2.96Å; S707-I710 PolarHBondContact O-N 3.06Å; S707-I711 WeakPolarHBondContact O-CG1 3.44Å; S707-I711 PolarHBondContact O-N 3.4Å
708Q76.3Confident78.9Confident117 Ų11766.2 Ų66.255%0.54735%0.347SS..Hα-helixtrans-61.3-33.9172.7-69.5-177.917.300113.6P704 V706 R712P704-Q708 WeakPolarHBondContact O-CB 3.19Å; P704-Q708 VanDerWaalsContact O-CG 3.24Å; P704-Q708 WeakPolarHBondContact O-CG 3.32Å; P704-Q708 PolarHBondContact O-N 2.74Å; V706-Q708 VanDerWaalsContact C-N 3.34Å; V706-Q708 PolarHBondContact O-N 3.03Å; Q708-R712 WeakPolarHBondContact O-CB 3.42Å; Q708-R712 PolarHBondContact O-N 3.41Å; Q708-R712 VanDerWaalsContact O-N 3.08Å
709W81.7Confident78.7Confident155 Ų15573.3 Ų73.359%0.58738%0.38SS*.Hα-helixtrans-70.5-42.7177-179.789.7000112G705 V706 S707 R712 N713G705-W709 VanDerWaalsContact O-CB 3.3Å; G705-W709 WeakPolarHBondContact O-CB 3.23Å; G705-W709 PolarHBondContact O-N 3.17Å; V706-W709 WeakPolarHBondContact O-CB 3.49Å; V706-W709 PolarHBondContact O-N 3.48Å; V706-W709 VanDerWaalsContact O-N 3.1Å; S707-W709 VanDerWaalsContact C-N 3.31Å; S707-W709 PolarHBondContact O-N 2.96Å; W709-R712 PolarHBondContact O-N 3Å; W709-N713 VanDerWaalsContact CE2-ND2 3.25Å; W709-N713 WeakPolarHBondContact CZ2-ND2 3.46Å; W709-N713 PolarHBondContact NE1-ND2 2.79Å; W709-N713 WeakPolarHBondContact O-CB 3.4Å; W709-N713 PolarHBondContact O-N 3.12Å
710I80.4Confident78.7Confident33 Ų3378.8 Ų78.817%0.16940%0.401CS..Hα-helixtrans-61.9-50.3176.5-69.2170000110.2Y701 V706 S707 R712 N713 T714 L721Y701-I710 HydrophobicContact CD2-CD1 3.73Å; Y701-I710 HydrophobicContact CE2-CD1 4Å; V706-I710 HydrophobicContact CG1-CD1 4.11Å; V706-I710 HydrophobicContact CG1-CG1 4.44Å; V706-I710 WeakPolarHBondContact O-CG1 3.44Å; V706-I710 PolarHBondContact O-N 3.32Å; S707-I710 PolarHBondContact O-N 3.06Å; I710-R712 VanDerWaalsContact C-N 3.31Å; I710-R712 PolarHBondContact O-N 3.41Å; I710-N713 PolarHBondContact O-N 2.89Å; I710-T714 HydrophobicContact CG2-CG2 4.22Å; I710-T714 WeakPolarHBondContact O-CB 3.43Å; I710-T714 WeakPolarHBondContact O-CG2 3.28Å; I710-T714 PolarHBondContact O-N 2.98Å; I710-T714 PolarHBondContact O-OG1 3.4Å; I710-L721 HydrophobicContact CG2-CD2 4.29Å
711I81.2Confident78.6Confident77 Ų7775.8 Ų75.840%0.39539%0.385SS..Hα-helixtrans-59.1-44.2179.5-66.2165.2000110.4S707 L721S707-I711 WeakPolarHBondContact O-CG1 3.44Å; S707-I711 PolarHBondContact O-N 3.4Å; I711-L721 HydrophobicContact CG1-CD1 3.85Å
712R83.6Confident78.4Confident197 Ų19778.2 Ų78.274%0.74340%0.399SS*.Hα-helixtrans-69.4-35.2-178.9-168.6177.9-59.1-174.94114.1Q708 W709 I710Q708-R712 WeakPolarHBondContact O-CB 3.42Å; Q708-R712 PolarHBondContact O-N 3.41Å; Q708-R712 VanDerWaalsContact O-N 3.08Å; W709-R712 PolarHBondContact O-N 3Å; I710-R712 VanDerWaalsContact C-N 3.31Å; I710-R712 PolarHBondContact O-N 3.41Å
713N84.6Confident78.3Confident103 Ų10378 Ų7855%0.55140%0.399SS*.Hα-helixtrans-94.5-25.3-175.8-84.25.3000114.9W709 I710W709-N713 VanDerWaalsContact CE2-ND2 3.25Å; W709-N713 WeakPolarHBondContact CZ2-ND2 3.46Å; W709-N713 PolarHBondContact NE1-ND2 2.79Å; W709-N713 WeakPolarHBondContact O-CB 3.4Å; W709-N713 PolarHBondContact O-N 3.12Å; I710-N713 PolarHBondContact O-N 2.89Å
714T76Confident78.5Confident60 Ų6079.8 Ų79.837%0.36841%0.409SS..Hα-helixtrans-101.6-12.9-171.765.10000114.4I710 L716I710-T714 HydrophobicContact CG2-CG2 4.22Å; I710-T714 WeakPolarHBondContact O-CB 3.43Å; I710-T714 WeakPolarHBondContact O-CG2 3.28Å; I710-T714 PolarHBondContact O-N 2.98Å; I710-T714 PolarHBondContact O-OG1 3.4Å; T714-L716 PolarHBondContact O-N 3.45Å
715S74.7Confident78.7Confident119 Ų11977 Ų7783%0.83239%0.391SS*.  trans57.59.5-175.666.60000116.1S717S715-S717 PolarHBondContact O-N 3.2Å
716L74.3Confident79Confident69 Ų6976.6 Ų76.636%0.36138%0.378SS..  trans-70122.9172.8-69.1170.1000109.9T714 W720 L721T714-L716 PolarHBondContact O-N 3.45Å; L716-W720 HydrophobicContact CD2-CB 4.43Å; L716-L721 HydrophobicContact CB-CD1 4.43Å; L716-L721 HydrophobicContact CB-CD2 4.34Å; L716-L721 HydrophobicContact CB-CG 4.11Å; L716-L721 HydrophobicContact CD1-CD2 4.22Å
717S78.7Confident78.9Confident53 Ų5376.3 Ų76.337%0.37138%0.377SS..  trans-58.815217057.40000111.5S715 E719 W720 L721S715-S717 PolarHBondContact O-N 3.2Å; S717-E719 PolarHBondContact O-N 2.76Å; S717-W720 PolarHBondContact O-N 2.79Å; S717-W720 VanDerWaalsContact O-N 3.12Å; S717-L721 PolarHBondContact O-N 3.24Å; S717-L721 VanDerWaalsContact O-N 3.14Å
718Q76.7Confident78.8Confident135 Ų13577.9 Ų77.963%0.63138%0.384SS*.Hα-helixtrans-59.2-31.5179-167.3165.9-15.600113.2L721 N722Q718-L721 PolarHBondContact O-N 3.08Å; Q718-N722 WeakPolarHBondContact O-CB 3.46Å; Q718-N722 PolarHBondContact O-N 3.2Å; Q718-N722 PolarHBondContact O-OD1 3.33Å
719E77.7Confident78.7Confident153 Ų15372.7 Ų72.772%0.71536%0.36SS*.Hα-helixtrans-59.8-49.7172.9-67.4164.6-158.500112.7S717 L721 N722 A723S717-E719 PolarHBondContact O-N 2.76Å; E719-L721 VanDerWaalsContact C-N 3.32Å; E719-L721 PolarHBondContact O-N 3.45Å; E719-N722 WeakPolarHBondContact O-CB 3.49Å; E719-N722 PolarHBondContact O-N 3.08Å; E719-A723 PolarHBondContact O-N 3.14Å
720W83.3Confident77.9Confident117 Ų11773.3 Ų73.344%0.44336%0.362SS..Hα-helixtrans-62-37.3174.3-89.7100000112.7F653 L716 S717 A723 I724 I889F653-W720 HydrophobicContact CE2-CE3 4.48Å; F653-W720 AromaticContact CE2-CZ3 3.99Å; F653-W720 HydrophobicContact CE2-CZ3 3.99Å; F653-W720 HydrophobicContact CZ-CZ3 4.21Å; L716-W720 HydrophobicContact CD2-CB 4.43Å; S717-W720 PolarHBondContact O-N 2.79Å; S717-W720 VanDerWaalsContact O-N 3.12Å; W720-A723 PolarHBondContact O-N 2.91Å; W720-I724 WeakPolarHBondContact O-CB 3.44Å; W720-I724 WeakPolarHBondContact O-CD1 3.25Å; W720-I724 VanDerWaalsContact O-CG1 3.22Å; W720-I724 WeakPolarHBondContact O-CG1 3.41Å; W720-I724 PolarHBondContact O-N 3.36Å; W720-I889 HydrophobicContact CD2-CD1 3.83Å; W720-I889 VanDerWaalsContact CE2-CD1 3.42Å; W720-I889 HydrophobicContact CE3-CD1 4.19Å; W720-I889 HydrophobicContact CG-CD1 4.44Å; W720-I889 HydrophobicContact CH2-CD1 3.87Å; W720-I889 HydrophobicContact CZ2-CD1 3.46Å; W720-I889 VanDerWaalsContact CZ2-CD1 3.46Å; W720-I889 HydrophobicContact CZ3-CD1 4.21Å
721L81.7Confident77.2Confident2 Ų275.8 Ų75.81%0.0139%0.387CS..Hα-helixtrans-66.3-41175-71.4165.1000111.4I710 I711 L716 S717 Q718 E719 I724 G725 L726I710-L721 HydrophobicContact CG2-CD2 4.29Å; I711-L721 HydrophobicContact CG1-CD1 3.85Å; L716-L721 HydrophobicContact CB-CD1 4.43Å; L716-L721 HydrophobicContact CB-CD2 4.34Å; L716-L721 HydrophobicContact CB-CG 4.11Å; L716-L721 HydrophobicContact CD1-CD2 4.22Å; S717-L721 PolarHBondContact O-N 3.24Å; S717-L721 VanDerWaalsContact O-N 3.14Å; Q718-L721 PolarHBondContact O-N 3.08Å; E719-L721 VanDerWaalsContact C-N 3.32Å; E719-L721 PolarHBondContact O-N 3.45Å; L721-I724 PolarHBondContact O-N 2.94Å; L721-G725 PolarHBondContact O-N 3.01Å; L721-L726 HydrophobicContact CD2-CB 4.42Å; L721-L726 HydrophobicContact CD2-CD1 4.08Å; L721-L726 PolarHBondContact O-N 2.65Å
722N77.3Confident76.3Confident63 Ų6376.6 Ų76.634%0.33739%0.391SS..Hα-helixtrans-62.6-45.4173.7-69.8-5.9000111.7Q718 E719 I724 G725Q718-N722 WeakPolarHBondContact O-CB 3.46Å; Q718-N722 PolarHBondContact O-N 3.2Å; Q718-N722 PolarHBondContact O-OD1 3.33Å; E719-N722 WeakPolarHBondContact O-CB 3.49Å; E719-N722 PolarHBondContact O-N 3.08Å; N722-I724 VanDerWaalsContact C-N 3.32Å; N722-I724 PolarHBondContact O-N 2.9Å; N722-G725 VanDerWaalsContact O-CA 3.24Å; N722-G725 WeakPolarHBondContact O-CA 3.23Å; N722-G725 PolarHBondContact O-N 3.33Å
723A78.4Confident75Confident7 Ų770.3 Ų70.36%0.05839%0.388CS..Hα-helixtrans-65.3-32.817800000113.2F653 E719 W720 G725F653-A723 HydrophobicContact CD2-CB 4.46Å; F653-A723 WeakPolarHBondContact CD2-O 3.49Å; F653-A723 HydrophobicContact CE2-CB 4.31Å; F653-A723 PolarHBondContact N-O 3.5Å; E719-A723 PolarHBondContact O-N 3.14Å; W720-A723 PolarHBondContact O-N 2.91Å; A723-G725 VanDerWaalsContact C-N 3.25Å
724I82Confident73.7Confident58 Ų5871.8 Ų71.830%0.29739%0.392SS..Hα-helixtrans-67.1-30.3168.2-69.2164.8000110.8F653 Y654 W720 L721 N722 L726F653-I724 HydrophobicContact CD2-CG1 4.29Å; Y654-I724 VanDerWaalsContact CD1-O 3.22Å; Y654-I724 WeakPolarHBondContact CD1-O 3.14Å; W720-I724 WeakPolarHBondContact O-CB 3.44Å; W720-I724 WeakPolarHBondContact O-CD1 3.25Å; W720-I724 VanDerWaalsContact O-CG1 3.22Å; W720-I724 WeakPolarHBondContact O-CG1 3.41Å; W720-I724 PolarHBondContact O-N 3.36Å; L721-I724 PolarHBondContact O-N 2.94Å; N722-I724 VanDerWaalsContact C-N 3.32Å; N722-I724 PolarHBondContact O-N 2.9Å; I724-L726 HydrophobicContact CG2-CD1 4.08Å; I724-L726 HydrophobicContact CG2-CG 4.1Å
725G76.6Confident72.7Confident1 Ų175 Ų751%0.0142%0.416CS..THydrogen-bonded Turntrans95.825.6-178.600000114.2L721 N722 A723L721-G725 PolarHBondContact O-N 3.01Å; N722-G725 VanDerWaalsContact O-CA 3.24Å; N722-G725 WeakPolarHBondContact O-CA 3.23Å; N722-G725 PolarHBondContact O-N 3.33Å; A723-G725 VanDerWaalsContact C-N 3.25Å
726L80.2Confident72.2Confident37 Ų3771.3 Ų71.319%0.19440%0.398CS..  trans-9789.4174-71.2172.3000109.9Y701 L721 I724Y701-L726 HydrophobicContact CD2-CB 4.16Å; Y701-L726 HydrophobicContact CD2-CD2 4.3Å; Y701-L726 HydrophobicContact CE1-CB 4.37Å; Y701-L726 VanDerWaalsContact CE1-O 3.27Å; Y701-L726 WeakPolarHBondContact CE1-O 3.26Å; Y701-L726 HydrophobicContact CE2-CB 4.03Å; Y701-L726 HydrophobicContact CG-CB 4.4Å; Y701-L726 HydrophobicContact CG-CD2 4.38Å; Y701-L726 PolarHBondContact OH-O 2.77Å; L721-L726 HydrophobicContact CD2-CB 4.42Å; L721-L726 HydrophobicContact CD2-CD1 4.08Å; L721-L726 PolarHBondContact O-N 2.65Å; I724-L726 HydrophobicContact CG2-CD1 4.08Å; I724-L726 HydrophobicContact CG2-CG 4.1Å
727V75.4Confident71.8Confident36 Ų3668.7 Ų68.722%0.21839%0.386CS..  trans-117.3143.4-174.6-170.40000110.8Q702 F729 I732Q702-V727 PolarHBondContact NE2-O 2.85Å; V727-F729 HydrophobicContact CB-CE1 4.22Å; V727-F729 HydrophobicContact CB-CZ 4.27Å; V727-F729 PolarHBondContact O-N 3.01Å; V727-I732 HydrophobicContact CG1-CD1 3.83Å
728D73.4Confident71.4Confident43 Ų4367.5 Ų67.523%0.2338%0.376CS..  trans-85.7104.8173.2-173.3-30.3000108.8Y701 R730 A731Y701-D728 HydrophobicContact CE1-CB 4.42Å; D728-R730 PolarHBondContact O-N 3.16Å; D728-R730 WeakPolarHBondContact OD1-CA 2.91Å; D728-R730 VanDerWaalsContact OD1-CB 3.26Å; D728-R730 WeakPolarHBondContact OD1-CB 3.37Å; D728-R730 PolarHBondContact OD1-N 3.16Å; D728-A731 HydrophobicContact CB-CB 4.47Å; D728-A731 PolarHBondContact O-N 3.45Å; D728-A731 PolarHBondContact OD1-N 2.93Å
729F74.1Confident71Confident8 Ų865.8 Ų65.84%0.03537%0.366CS..THydrogen-bonded Turntrans-74.7-15.8-177.2-58.5-70.3000112.4V727 A731 I732 A737 L738 Q741V727-F729 HydrophobicContact CB-CE1 4.22Å; V727-F729 HydrophobicContact CB-CZ 4.27Å; V727-F729 PolarHBondContact O-N 3.01Å; F729-A731 VanDerWaalsContact C-N 3.27Å; F729-A731 PolarHBondContact O-N 3.05Å; F729-I732 HydrophobicContact CD1-CD1 4.03Å; F729-I732 PolarHBondContact O-N 3.35Å; F729-A737 HydrophobicContact CD1-CB 4.31Å; F729-L738 HydrophobicContact CB-CB 4.27Å; F729-L738 HydrophobicContact CD2-CB 4.3Å; F729-L738 HydrophobicContact CD2-CD1 3.75Å; F729-L738 HydrophobicContact CE2-CD1 4.26Å; F729-L738 HydrophobicContact CG-CB 4.48Å; F729-Q741 VanDerWaalsContact CE1-CD 3.49Å; F729-Q741 HydrophobicContact CE1-CG 4.4Å; F729-Q741 HydrophobicContact CZ-CG 4.46Å
730R65.9Low70.6Confident169 Ų16964 Ų6464%0.63836%0.361SS*.THydrogen-bonded Turntrans-70.3-28.2174.8-160174.1-173.3169.35.3111E545 D728E545-R730 IonicContact OE1-CZ 2.73Å; E545-R730 IonicContact OE1-NH1 2.72Å; E545-R730 PolarHBondContact OE1-NH1 3.22Å; E545-R730 IonicContact OE1-NH2 2.67Å; E545-R730 PolarHBondContact OE1-NH2 3.14Å; E545-R730 IonicContact OE2-NH2 2.66Å; E545-R730 PolarHBondContact OE2-NH2 3.06Å; D728-R730 PolarHBondContact O-N 3.16Å; D728-R730 WeakPolarHBondContact OD1-CA 2.91Å; D728-R730 VanDerWaalsContact OD1-CB 3.26Å; D728-R730 WeakPolarHBondContact OD1-CB 3.37Å; D728-R730 PolarHBondContact OD1-N 3.16Å
731A65.2Low70.1Confident84 Ų8461.4 Ų61.469%0.69435%0.353SS*.THydrogen-bonded Turntrans-74.8-21.117500000114.2D728 F729 G733D728-A731 HydrophobicContact CB-CB 4.47Å; D728-A731 PolarHBondContact O-N 3.45Å; D728-A731 PolarHBondContact OD1-N 2.93Å; F729-A731 VanDerWaalsContact C-N 3.27Å; F729-A731 PolarHBondContact O-N 3.05Å; A731-G733 VanDerWaalsContact C-N 3.29Å
732I62.8Low69.9Low94 Ų9461.3 Ų61.348%0.48235%0.353SS..THydrogen-bonded Turntrans-81.2-10.5-179.7-63173.2000111.7V727 F729 E734V727-I732 HydrophobicContact CG1-CD1 3.83Å; F729-I732 HydrophobicContact CD1-CD1 4.03Å; F729-I732 PolarHBondContact O-N 3.35Å; I732-E734 PolarHBondContact O-N 2.87Å; I732-E734 VanDerWaalsContact O-N 3.14Å
733G56.8Low69.9Low66 Ų6662.5 Ų62.568%0.6836%0.359SS*.SBendtrans80.2-22.1177.800000114.8A731 S735A731-G733 VanDerWaalsContact C-N 3.29Å; G733-S735 PolarHBondContact O-N 3.43Å
734E57.7Low69.8Low134 Ų13462.9 Ų62.963%0.62636%0.362SS*.  trans-82.993.9175.9-66.4-162.4156.500112.6I732 G736 A737I732-E734 PolarHBondContact O-N 2.87Å; I732-E734 VanDerWaalsContact O-N 3.14Å; E734-G736 PolarHBondContact O-N 2.87Å; E734-A737 HydrophobicContact CB-CB 4.05Å; E734-A737 WeakPolarHBondContact O-CB 3.35Å; E734-A737 PolarHBondContact O-N 2.92Å
735S54.7Low69.7Low126 Ų12660.5 Ų60.588%0.88135%0.35SS*.THydrogen-bonded Turntrans-58.4-15.6177.158.30000115G733G733-S735 PolarHBondContact O-N 3.43Å
736G63.1Low69.9Low43 Ų4361.8 Ų61.844%0.44336%0.357SS..THydrogen-bonded Turntrans-85.8-19.4173.600000115.5E734 L738 F739 L740E734-G736 PolarHBondContact O-N 2.87Å; G736-L738 PolarHBondContact O-N 3.4Å; G736-F739 PolarHBondContact O-N 2.82Å; G736-F739 VanDerWaalsContact O-N 3.17Å; G736-L740 PolarHBondContact O-N 3.31Å
737A66.5Low70Confident14 Ų1462 Ų6212%0.11636%0.364CS..Hα-helixtrans-62.3-40.6-170.700000112.7F729 E734 F739 L740 Q741F729-A737 HydrophobicContact CD1-CB 4.31Å; E734-A737 HydrophobicContact CB-CB 4.05Å; E734-A737 WeakPolarHBondContact O-CB 3.35Å; E734-A737 PolarHBondContact O-N 2.92Å; A737-F739 VanDerWaalsContact C-N 3.33Å; A737-F739 PolarHBondContact O-N 3.46Å; A737-L740 PolarHBondContact O-N 3.42Å; A737-Q741 PolarHBondContact O-N 3.23Å
738L69.2Low70.5Confident28 Ų2860.3 Ų60.315%0.14735%0.354CS..Hα-helixtrans-55.1-45.9175.5177.466.8000112.4Q702 F729 G736 L742Q702-L738 HydrophobicContact CG-CD1 3.69Å; Q702-L738 HydrophobicContact CG-CD2 4.23Å; F729-L738 HydrophobicContact CB-CB 4.27Å; F729-L738 HydrophobicContact CD2-CB 4.3Å; F729-L738 HydrophobicContact CD2-CD1 3.75Å; F729-L738 HydrophobicContact CE2-CD1 4.26Å; F729-L738 HydrophobicContact CG-CB 4.48Å; G736-L738 PolarHBondContact O-N 3.4Å; L738-L742 HydrophobicContact CD1-CD1 3.73Å; L738-L742 HydrophobicContact CG-CD1 4.49Å; L738-L742 PolarHBondContact O-N 3.02Å
739F70.1Confident71.1Confident99 Ų9958.8 Ų58.843%0.43435%0.345SS..Hα-helixtrans-65.5-42.5-179.7177.7-95.2000111.1L477 G736 A737 L743L477-F739 HydrophobicContact CB-CD2 4.4Å; L477-F739 HydrophobicContact CD1-CD2 4.37Å; L477-F739 HydrophobicContact CD1-CE2 4.32Å; G736-F739 PolarHBondContact O-N 2.82Å; G736-F739 VanDerWaalsContact O-N 3.17Å; A737-F739 VanDerWaalsContact C-N 3.33Å; A737-F739 PolarHBondContact O-N 3.46Å; F739-L743 WeakPolarHBondContact O-CB 3.31Å; F739-L743 PolarHBondContact O-N 2.9Å; F739-L743 VanDerWaalsContact O-N 3.07Å
740L69.1Low71.4Confident115 Ų11560.3 Ų60.360%0.60236%0.355SS*.Hα-helixtrans-65.2-42.3-179.6-126.5161000111.8G736 A737G736-L740 PolarHBondContact O-N 3.31Å; A737-L740 PolarHBondContact O-N 3.42Å
741Q71.6Confident72.3Confident62 Ų6253.5 Ų53.529%0.2933%0.332SS..Hα-helixtrans-74.1-36.7177.9-65-155.91800113.5F729 A737 L743 P745F729-Q741 VanDerWaalsContact CE1-CD 3.49Å; F729-Q741 HydrophobicContact CE1-CG 4.4Å; F729-Q741 HydrophobicContact CZ-CG 4.46Å; A737-Q741 PolarHBondContact O-N 3.23Å; Q741-L743 VanDerWaalsContact C-N 3.31Å; Q741-L743 PolarHBondContact O-N 3.42Å; Q741-P745 WeakPolarHBondContact O-CD 3.29Å
742L77Confident73.2Confident1 Ų149.5 Ų49.51%0.00530%0.299CS..Hα-helixtrans-69.5-26.7174-102.680.7000113.2L477 I695 L698 Y699 L738 A744 P745 I746L477-L742 HydrophobicContact CD2-CD2 3.77Å; I695-L742 HydrophobicContact CG2-CD2 4.31Å; L698-L742 HydrophobicContact CB-CD1 3.91Å; L698-L742 HydrophobicContact CD1-CD1 4.46Å; Y699-L742 HydrophobicContact CD2-CD2 4.37Å; L738-L742 HydrophobicContact CD1-CD1 3.73Å; L738-L742 HydrophobicContact CG-CD1 4.49Å; L738-L742 PolarHBondContact O-N 3.02Å; L742-A744 VanDerWaalsContact C-N 3.31Å; L742-A744 PolarHBondContact O-N 2.96Å; L742-P745 WeakPolarHBondContact O-CD 3.46Å; L742-I746 HydrophobicContact CB-CD1 4.12Å; L742-I746 HydrophobicContact CD2-CD1 4.43Å; L742-I746 WeakPolarHBondContact O-CB 3.35Å; L742-I746 WeakPolarHBondContact O-CD1 3.31Å; L742-I746 WeakPolarHBondContact O-CG1 3.38Å; L742-I746 PolarHBondContact O-N 3.1Å; L742-I746 VanDerWaalsContact O-N 3.08Å
743L77.5Confident74.1Confident87 Ų8746.3 Ų46.346%0.45528%0.283SS..Hα-helixtrans-59.9-38.1-175.7-176.762.5000112.9F739 Q741 I746 A747F739-L743 WeakPolarHBondContact O-CB 3.31Å; F739-L743 PolarHBondContact O-N 2.9Å; F739-L743 VanDerWaalsContact O-N 3.07Å; Q741-L743 VanDerWaalsContact C-N 3.31Å; Q741-L743 PolarHBondContact O-N 3.42Å; L743-I746 PolarHBondContact O-N 2.97Å; L743-A747 VanDerWaalsContact O-CB 3.3Å; L743-A747 WeakPolarHBondContact O-CB 3.46Å; L743-A747 PolarHBondContact O-N 3.34Å
744A76.4Confident75.2Confident16 Ų1645.8 Ų45.813%0.13226%0.264CS..Hα-helixtrans-70-50.1-178.100000113.6V645 F649 L742 I746 A747 L748V645-A744 HydrophobicContact CG2-CB 4.26Å; F649-A744 HydrophobicContact CE2-CB 3.46Å; F649-A744 VanDerWaalsContact CE2-CB 3.46Å; F649-A744 HydrophobicContact CZ-CB 3.51Å; L742-A744 VanDerWaalsContact C-N 3.31Å; L742-A744 PolarHBondContact O-N 2.96Å; A744-I746 VanDerWaalsContact C-N 3.32Å; A744-I746 PolarHBondContact O-N 3.43Å; A744-A747 PolarHBondContact O-N 3.2Å; A744-L748 PolarHBondContact O-N 2.92Å
745P80.4Confident76.5Confident7 Ų739.4 Ų39.45%0.04523%0.234CC..Hα-helixtrans-56.4-40.1168.5-28.436.5000113.7V694 I695 Q741 L742 L748 F749V694-P745 HydrophobicContact CG1-CG 4.4Å; I695-P745 HydrophobicContact CD1-CB 4.21Å; I695-P745 HydrophobicContact CG1-CB 3.69Å; Q741-P745 WeakPolarHBondContact O-CD 3.29Å; L742-P745 WeakPolarHBondContact O-CD 3.46Å; P745-L748 PolarHBondContact O-N 2.96Å; P745-F749 WeakPolarHBondContact O-CB 3.36Å; P745-F749 PolarHBondContact O-N 3.35Å
746I80.8Confident77.8Confident28 Ų2835 Ų3514%0.14420%0.201CC..Hα-helixtrans-63.8-43.5176.2-70.1168.7000111L477 I695 L742 L743 A744 F749 V750L477-I746 HydrophobicContact CD1-CD1 4.23Å; I695-I746 HydrophobicContact CD1-CG1 3.92Å; I695-I746 HydrophobicContact CG1-CG1 4.26Å; L742-I746 HydrophobicContact CB-CD1 4.12Å; L742-I746 HydrophobicContact CD2-CD1 4.43Å; L742-I746 WeakPolarHBondContact O-CB 3.35Å; L742-I746 WeakPolarHBondContact O-CD1 3.31Å; L742-I746 WeakPolarHBondContact O-CG1 3.38Å; L742-I746 PolarHBondContact O-N 3.1Å; L742-I746 VanDerWaalsContact O-N 3.08Å; L743-I746 PolarHBondContact O-N 2.97Å; A744-I746 VanDerWaalsContact C-N 3.32Å; A744-I746 PolarHBondContact O-N 3.43Å; I746-F749 PolarHBondContact O-N 3.29Å; I746-V750 WeakPolarHBondContact O-CG2 3.47Å; I746-V750 PolarHBondContact O-N 3.07Å
747A82Confident78.4Confident43 Ų4336.8 Ų36.836%0.35520%0.196SC..Hα-helixtrans-63.3-43.217700000111.9L743 A744 V750 V751L743-A747 VanDerWaalsContact O-CB 3.3Å; L743-A747 WeakPolarHBondContact O-CB 3.46Å; L743-A747 PolarHBondContact O-N 3.34Å; A744-A747 PolarHBondContact O-N 3.2Å; A747-V750 PolarHBondContact O-N 3.5Å; A747-V751 WeakPolarHBondContact O-CB 3.4Å; A747-V751 VanDerWaalsContact O-CG2 3.29Å; A747-V751 WeakPolarHBondContact O-CG2 3.4Å; A747-V751 PolarHBondContact O-N 2.91Å
748L85.8Confident78.9Confident0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-61.9-46.3175.5-176.758.2000111.3V641 L642 V645 F658 L687 T691 A744 P745 V750 V751 T752V641-L748 HydrophobicContact CG1-CB 4.48Å; V641-L748 HydrophobicContact CG1-CD1 4Å; L642-L748 HydrophobicContact CD1-CD2 4.26Å; V645-L748 HydrophobicContact CG1-CD2 4.32Å; V645-L748 HydrophobicContact CG2-CB 4.49Å; F658-L748 HydrophobicContact CD1-CD2 4.19Å; F658-L748 HydrophobicContact CE1-CD2 3.7Å; F658-L748 HydrophobicContact CZ-CD2 4.14Å; L687-L748 HydrophobicContact CD1-CD2 4.42Å; L687-L748 HydrophobicContact CD2-CD1 4.45Å; T691-L748 HydrophobicContact CG2-CB 4.3Å; T691-L748 HydrophobicContact CG2-CD2 3.66Å; T691-L748 HydrophobicContact CG2-CG 3.89Å; A744-L748 PolarHBondContact O-N 2.92Å; P745-L748 PolarHBondContact O-N 2.96Å; L748-V750 PolarHBondContact O-N 3.26Å; L748-V751 PolarHBondContact O-N 2.89Å; L748-T752 HydrophobicContact CD1-CG2 4.08Å; L748-T752 HydrophobicContact CG-CG2 4.5Å; L748-T752 WeakPolarHBondContact O-CG2 3.31Å; L748-T752 PolarHBondContact O-N 3.21Å; L748-T752 PolarHBondContact O-OG1 3.4Å
749F85.8Confident79.5Confident10 Ų1042.6 Ų42.64%0.04422%0.218CC..Hα-helixtrans-57.1-44.8175.3172-92.8000112.7T688 S692 I695 P745 I746 T752 M753T688-F749 HydrophobicContact CG2-CD2 3.66Å; T688-F749 HydrophobicContact CG2-CE2 3.83Å; S692-F749 WeakPolarHBondContact OG-CE2 3.47Å; I695-F749 HydrophobicContact CD1-CB 4.27Å; P745-F749 WeakPolarHBondContact O-CB 3.36Å; P745-F749 PolarHBondContact O-N 3.35Å; I746-F749 PolarHBondContact O-N 3.29Å; F749-T752 PolarHBondContact O-OG1 2.98Å; F749-M753 HydrophobicContact CE1-CG 4.41Å; F749-M753 HydrophobicContact CE2-CE 4.39Å; F749-M753 HydrophobicContact CE2-CG 4.41Å; F749-M753 HydrophobicContact CZ-CE 4.46Å; F749-M753 HydrophobicContact CZ-CG 4.23Å; F749-M753 VanDerWaalsContact O-CB 3.29Å; F749-M753 WeakPolarHBondContact O-CB 3.33Å; F749-M753 WeakPolarHBondContact O-CG 3.38Å; F749-M753 PolarHBondContact O-N 3.28Å
750V80.3Confident80.1Confident40 Ų4039.1 Ų39.124%0.24220%0.203CC..Hα-helixtrans-65.8-43.1177.1171.40000111W495 I746 A747 L748 M753 L754W495-V750 HydrophobicContact CZ3-CG1 4.37Å; W495-V750 HydrophobicContact CZ3-CG2 4.47Å; I746-V750 WeakPolarHBondContact O-CG2 3.47Å; I746-V750 PolarHBondContact O-N 3.07Å; A747-V750 PolarHBondContact O-N 3.5Å; L748-V750 PolarHBondContact O-N 3.26Å; V750-M753 PolarHBondContact O-N 3.4Å; V750-L754 HydrophobicContact CG1-CD1 4.16Å; V750-L754 VanDerWaalsContact O-CG 3.31Å; V750-L754 WeakPolarHBondContact O-CG 3.41Å; V750-L754 PolarHBondContact O-N 2.84Å
751V85.2Confident80.5Confident26 Ų2635.5 Ų35.516%0.15819%0.194CC..Hα-helixtrans-66.9-42.4-179.6168.40000111.9F634 V638 A747 L748 L754 Q755F634-V751 HydrophobicContact CE1-CG1 4.09Å; F634-V751 HydrophobicContact CZ-CG1 4.3Å; V638-V751 HydrophobicContact CB-CG1 4.33Å; V638-V751 HydrophobicContact CG1-CG1 4.3Å; V638-V751 HydrophobicContact CG2-CG1 3.95Å; A747-V751 WeakPolarHBondContact O-CB 3.4Å; A747-V751 VanDerWaalsContact O-CG2 3.29Å; A747-V751 WeakPolarHBondContact O-CG2 3.4Å; A747-V751 PolarHBondContact O-N 2.91Å; L748-V751 PolarHBondContact O-N 2.89Å; V751-L754 PolarHBondContact O-N 3.5Å; V751-Q755 PolarHBondContact O-N 3.09Å
752T85.4Confident80.8Confident0 Ų034 Ų340%019%0.189CC..Hα-helixtrans-68.6-36.9175.760.10000111.9V638 L687 T688 L748 F749 L754 Q755 L756V638-T752 HydrophobicContact CG1-CG2 3.91Å; L687-T752 HydrophobicContact CD2-CG2 3.79Å; L687-T752 HydrophobicContact CG-CG2 4.21Å; T688-T752 VanDerWaalsContact OG1-CB 3.23Å; T688-T752 WeakPolarHBondContact OG1-CB 3.27Å; T688-T752 PolarHBondContact OG1-OG1 2.98Å; L748-T752 HydrophobicContact CD1-CG2 4.08Å; L748-T752 HydrophobicContact CG-CG2 4.5Å; L748-T752 WeakPolarHBondContact O-CG2 3.31Å; L748-T752 PolarHBondContact O-N 3.21Å; L748-T752 PolarHBondContact O-OG1 3.4Å; F749-T752 PolarHBondContact O-OG1 2.98Å; T752-L754 PolarHBondContact O-N 3.28Å; T752-Q755 PolarHBondContact O-N 3Å; T752-L756 WeakPolarHBondContact O-CB 3.46Å; T752-L756 WeakPolarHBondContact O-CG 3.49Å; T752-L756 PolarHBondContact O-N 3.01Å
753M80.2Confident81.1Confident27 Ų2734.7 Ų34.713%0.13319%0.192CC..Hα-helixtrans-62.8-38.3172.2-86.8-76.4170.600112.8I496 T688 F749 V750 L756 K757I496-M753 HydrophobicContact CG1-CE 4.05Å; T688-M753 HydrophobicContact CG2-CE 3.83Å; T688-M753 HydrophobicContact CG2-CG 4.03Å; F749-M753 HydrophobicContact CE1-CG 4.41Å; F749-M753 HydrophobicContact CE2-CE 4.39Å; F749-M753 HydrophobicContact CE2-CG 4.41Å; F749-M753 HydrophobicContact CZ-CE 4.46Å; F749-M753 HydrophobicContact CZ-CG 4.23Å; F749-M753 VanDerWaalsContact O-CB 3.29Å; F749-M753 WeakPolarHBondContact O-CB 3.33Å; F749-M753 WeakPolarHBondContact O-CG 3.38Å; F749-M753 PolarHBondContact O-N 3.28Å; V750-M753 PolarHBondContact O-N 3.4Å; M753-L756 PolarHBondContact O-N 3.14Å; M753-K757 WeakPolarHBondContact O-CB 3.38Å; M753-K757 WeakPolarHBondContact O-CG 3.11Å; M753-K757 PolarHBondContact O-N 2.97Å
754L79.7Confident81.2Confident56 Ų5632.5 Ų32.529%0.29318%0.184SC..Hα-helixtrans-65.7-43.2173.8-71.9171.8000112F634 V750 V751 T752 K757 F758 F759F634-L754 HydrophobicContact CE1-CB 4.25Å; F634-L754 HydrophobicContact CZ-CB 4Å; F634-L754 HydrophobicContact CZ-CD1 4.47Å; V750-L754 HydrophobicContact CG1-CD1 4.16Å; V750-L754 VanDerWaalsContact O-CG 3.31Å; V750-L754 WeakPolarHBondContact O-CG 3.41Å; V750-L754 PolarHBondContact O-N 2.84Å; V751-L754 PolarHBondContact O-N 3.5Å; T752-L754 PolarHBondContact O-N 3.28Å; L754-K757 PolarHBondContact O-N 3.37Å; L754-F758 HydrophobicContact CD2-CD2 3.73Å; L754-F758 HydrophobicContact CD2-CE2 3.73Å; L754-F758 PolarHBondContact O-N 3.32Å; L754-F759 HydrophobicContact CB-CE2 4.45Å
755Q85Confident81.2Confident0 Ų040.2 Ų40.20%021%0.209CC..Iπ-helixtrans-58.3-47.4174172.367.6-15.700111.5F634 V638 W684 V751 T752 F759 H760F634-Q755 HydrophobicContact CD1-CB 3.94Å; F634-Q755 HydrophobicContact CE1-CB 3.97Å; V638-Q755 HydrophobicContact CG2-CB 3.8Å; V638-Q755 HydrophobicContact CG2-CG 3.98Å; W684-Q755 HydrophobicContact CD2-CG 4.47Å; W684-Q755 HydrophobicContact CG-CG 4.31Å; V751-Q755 PolarHBondContact O-N 3.09Å; T752-Q755 PolarHBondContact O-N 3Å; Q755-F759 PolarHBondContact O-N 2.9Å; Q755-H760 WeakPolarHBondContact O-CB 3.42Å; Q755-H760 PolarHBondContact O-N 3.06Å
756L82.2Confident80.8Confident33 Ų3343 Ų4317%0.17323%0.233CC..Iπ-helixtrans-65.8-45.8179-76.6167.1000112.7Y681 W684 T752 M753Y681-L756 HydrophobicContact CD2-CD2 4.07Å; Y681-L756 HydrophobicContact CE2-CD2 3.84Å; W684-L756 HydrophobicContact CB-CD1 4.47Å; W684-L756 HydrophobicContact CB-CD2 3.93Å; W684-L756 HydrophobicContact CB-CG 4.11Å; T752-L756 WeakPolarHBondContact O-CB 3.46Å; T752-L756 WeakPolarHBondContact O-CG 3.49Å; T752-L756 PolarHBondContact O-N 3.01Å; M753-L756 PolarHBondContact O-N 3.14Å
757K76.6Confident80.4Confident81 Ų8143.3 Ų43.335%0.35224%0.236SC..Iπ-helixtrans-79.3-33.7-173.9-71.3-171.8176.7-171.40114.5W495 I496 F497 M753 L754W495-K757 PolarHBondContact O-NZ 3.34Å; I496-K757 PolarHBondContact O-NZ 2.8Å; F497-K757 PolarHBondContact O-NZ 3.46Å; M753-K757 WeakPolarHBondContact O-CB 3.38Å; M753-K757 WeakPolarHBondContact O-CG 3.11Å; M753-K757 PolarHBondContact O-N 2.97Å; L754-K757 PolarHBondContact O-N 3.37Å
758F76.2Confident79.7Confident130 Ų13043.3 Ų43.357%0.5723%0.233SC*.Iπ-helixtrans-118.8-35.2-170.6-61-63.8000115.1L754L754-F758 HydrophobicContact CD2-CD2 3.73Å; L754-F758 HydrophobicContact CD2-CE2 3.73Å; L754-F758 PolarHBondContact O-N 3.32Å
759F81.7Confident78.5Confident33 Ų3347.4 Ų47.415%0.14526%0.26CS..Iπ-helixtrans-112.5-23.8-162-56.1-52.9000115.8V630 F634 L754 Q755 G761 P762 W763V630-F759 HydrophobicContact CG1-CE1 3.97Å; V630-F759 HydrophobicContact CG1-CZ 3.94Å; F634-F759 HydrophobicContact CB-CB 4.12Å; F634-F759 HydrophobicContact CB-CD2 3.92Å; F634-F759 HydrophobicContact CB-CG 4.08Å; F634-F759 AromaticContact CD1-CD2 3.59Å; F634-F759 HydrophobicContact CD1-CD2 3.59Å; F634-F759 HydrophobicContact CD1-CE2 4.21Å; F634-F759 HydrophobicContact CD1-CG 4.44Å; F634-F759 AromaticContact CD2-CD2 3.6Å; F634-F759 HydrophobicContact CD2-CD2 3.6Å; F634-F759 AromaticContact CD2-CE2 3.49Å; F634-F759 HydrophobicContact CD2-CE2 3.49Å; F634-F759 VanDerWaalsContact CD2-CE2 3.49Å; F634-F759 HydrophobicContact CD2-CG 4.46Å; F634-F759 HydrophobicContact CD2-CZ 4.29Å; F634-F759 AromaticContact CE1-CD2 3.93Å; F634-F759 HydrophobicContact CE1-CD2 3.93Å; F634-F759 HydrophobicContact CE1-CE2 4.25Å; F634-F759 AromaticContact CE2-CD2 3.94Å; F634-F759 HydrophobicContact CE2-CD2 3.94Å; F634-F759 AromaticContact CE2-CE2 3.54Å; F634-F759 HydrophobicContact CE2-CE2 3.54Å; F634-F759 HydrophobicContact CE2-CZ 4.47Å; F634-F759 HydrophobicContact CG-CB 4.44Å; F634-F759 AromaticContact CG-CD2 3.4Å; F634-F759 HydrophobicContact CG-CD2 3.4Å; F634-F759 VanDerWaalsContact CG-CD2 3.4Å; F634-F759 AromaticContact CG-CE2 3.85Å; F634-F759 HydrophobicContact CG-CE2 3.85Å; F634-F759 HydrophobicContact CG-CG 4.08Å; F634-F759 HydrophobicContact CZ-CD2 4.1Å; F634-F759 AromaticContact CZ-CE2 3.93Å; F634-F759 HydrophobicContact CZ-CE2 3.93Å; L754-F759 HydrophobicContact CB-CE2 4.45Å; Q755-F759 PolarHBondContact O-N 2.9Å; F759-G761 PolarHBondContact O-N 3.32Å; F759-P762 WeakPolarHBondContact O-CD 3.32Å; F759-W763 PolarHBondContact O-N 3.49Å; F759-W763 VanDerWaalsContact O-N 3.15Å
760H83.2Confident77.1Confident27 Ų2758.4 Ų58.413%0.12530%0.301CS..Hα-helixtrans-60.5-43.7179.8-17782.5000113.6Y681 Q755 W763 S764Y681-H760 AromaticContact CD2-CD2 3.81Å; Y681-H760 AromaticContact CD2-NE2 3.79Å; Q755-H760 WeakPolarHBondContact O-CB 3.42Å; Q755-H760 PolarHBondContact O-N 3.06Å; H760-W763 PolarHBondContact O-N 3.23Å; H760-S764 WeakPolarHBondContact O-CB 3.43Å; H760-S764 PolarHBondContact O-N 3.18Å
761G77.3Confident75.6Confident39 Ų3967.5 Ų67.540%0.40233%0.331SS..Hα-helixtrans-64.2-41.2-178.500000114.9F759 R765F759-G761 PolarHBondContact O-N 3.32Å; G761-R765 PolarHBondContact O-NE 2.99Å; G761-R765 VanDerWaalsContact O-NE 3.07Å
762P78.9Confident73.4Confident31 Ų3171 Ų7120%0.20136%0.363CS..Hα-helixtrans-61.5-49.1165.7-28.735.7000114.1S631 F759 S764 R765 A766S631-P762 WeakPolarHBondContact OG-CB 3.34Å; F759-P762 WeakPolarHBondContact O-CD 3.32Å; P762-S764 PolarHBondContact O-N 2.92Å; P762-R765 PolarHBondContact O-N 3.27Å; P762-A766 PolarHBondContact O-N 3.23Å
763W83.2Confident71.2Confident14 Ų1479.8 Ų79.85%0.05340%0.404CS..Hα-helixtrans-60.2-42.5-176.817687.3000113.4I635 Y676 R677 A680 F759 H760 R765 A766 T767I635-W763 HydrophobicContact CD1-CD2 4.18Å; I635-W763 HydrophobicContact CD1-CH2 4.04Å; I635-W763 HydrophobicContact CD1-CZ2 3.52Å; Y676-W763 HydrophobicContact CE1-CH2 4.19Å; Y676-W763 HydrophobicContact CE1-CZ2 4.15Å; R677-W763 HydrophobicContact CG-CH2 4.19Å; R677-W763 HydrophobicContact CG-CZ3 4.17Å; A680-W763 HydrophobicContact CB-CH2 4.34Å; A680-W763 HydrophobicContact CB-CZ3 4.13Å; F759-W763 PolarHBondContact O-N 3.49Å; F759-W763 VanDerWaalsContact O-N 3.15Å; H760-W763 PolarHBondContact O-N 3.23Å; W763-R765 VanDerWaalsContact C-N 3.3Å; W763-R765 PolarHBondContact O-N 3.41Å; W763-A766 PolarHBondContact O-N 3Å; W763-T767 HydrophobicContact CD2-CG2 4.36Å; W763-T767 HydrophobicContact CZ2-CG2 4.15Å; W763-T767 PolarHBondContact O-N 3.33Å; W763-T767 PolarHBondContact O-OG1 3.32Å
764S79.5Confident69Low41 Ų4185.2 Ų85.229%0.28743%0.434SS..Hα-helixtrans-63.4-34.7179.1-175.20000112.7H760 P762 T767 S768H760-S764 WeakPolarHBondContact O-CB 3.43Å; H760-S764 PolarHBondContact O-N 3.18Å; P762-S764 PolarHBondContact O-N 2.92Å; S764-T767 PolarHBondContact O-OG1 2.9Å; S764-S768 PolarHBondContact O-N 3.44Å
765R75.6Confident66.8Low179 Ų17990 Ų9068%0.67546%0.459SS*.Hα-helixtrans-72.3-42.8173.6-72.4-178.7-72.3164.2-1.1111.8G761 P762 W763 T767 S768G761-R765 PolarHBondContact O-NE 2.99Å; G761-R765 VanDerWaalsContact O-NE 3.07Å; P762-R765 PolarHBondContact O-N 3.27Å; W763-R765 VanDerWaalsContact C-N 3.3Å; W763-R765 PolarHBondContact O-N 3.41Å; R765-T767 VanDerWaalsContact C-N 3.27Å; R765-T767 PolarHBondContact O-N 3.42Å; R765-S768 PolarHBondContact O-N 3.47Å; R765-S768 PolarHBondContact O-OG 3.44Å
766A71.3Confident64.3Low65 Ų6594.1 Ų94.154%0.53749%0.486SS..Hα-helixtrans-65.4-26179.700000114.2V632 P762 W763V632-A766 HydrophobicContact CG2-CB 4.04Å; P762-A766 PolarHBondContact O-N 3.23Å; W763-A766 PolarHBondContact O-N 3Å
767T72.6Confident62.1Low34 Ų3499.1 Ų99.121%0.20952%0.52CS..THydrogen-bonded Turntrans-99.31.9179.354.70000114F673 W763 S764 R765F673-T767 HydrophobicContact CZ-CG2 4.35Å; W763-T767 HydrophobicContact CD2-CG2 4.36Å; W763-T767 HydrophobicContact CZ2-CG2 4.15Å; W763-T767 PolarHBondContact O-N 3.33Å; W763-T767 PolarHBondContact O-OG1 3.32Å; S764-T767 PolarHBondContact O-OG1 2.9Å; R765-T767 VanDerWaalsContact C-N 3.27Å; R765-T767 PolarHBondContact O-N 3.42Å
768S68.7Low60Low43 Ų43100.9 Ų100.930%0.30154%0.538SS..SBendtrans-78.5133.9175.769.30000111.3S764 R765 R770S764-S768 PolarHBondContact O-N 3.44Å; R765-S768 PolarHBondContact O-N 3.47Å; R765-S768 PolarHBondContact O-OG 3.44Å; S768-R770 PolarHBondContact O-N 3.24Å; S768-R770 VanDerWaalsContact O-N 3.14Å
769P60.3Low57.9Low86 Ų8699.3 Ų99.356%0.55854%0.544SS*.  trans-67.2113.4165.528.2-31.5000107.6R771P769-R771 PolarHBondContact O-N 2.94Å
770R55.3Low55.7Low241 Ų241104.2 Ų104.291%0.90958%0.576SS**  trans-58.2109.1171.4-85.7-178.9163.6173.8-7.6108.6S768S768-R770 PolarHBondContact O-N 3.24Å; S768-R770 VanDerWaalsContact O-N 3.14Å
771R49.6Very low53.4Low232 Ų232109.4 Ų109.488%0.87561%0.61SS**  trans-62.2151.3156.5-78.1-178.5170.8155.1-4107.9P769 E773P769-R771 PolarHBondContact O-N 2.94Å; R771-E773 VanDerWaalsContact C-N 3.32Å; R771-E773 PolarHBondContact O-N 3.47Å
772A38.8Very low51.1Low100 Ų100116.8 Ų116.883%0.82663%0.634SS**  trans-69.493.7172.600000108.7
773E39.8Very low48.7Very low184 Ų184120 Ų12086%0.8666%0.663SS**  trans-105.8115.4170.9-167.4149.3-133.400107.1R771 D775R771-E773 VanDerWaalsContact C-N 3.32Å; R771-E773 PolarHBondContact O-N 3.47Å; E773-D775 PolarHBondContact O-N 3.46Å
774N33Very low46.1Very low141 Ų141124 Ų12475%0.75470%0.699SS**  trans-80119.9-171.3-52.8-57.2000109.3
775D34.1Very low43.8Very low156 Ų156126.4 Ų126.483%0.83472%0.722SS**  trans-15597153.4-102.9-28.1000108.6E773E773-D775 PolarHBondContact O-N 3.46Å
776P32.1Very low41.7Very low87 Ų87124.7 Ų124.757%0.56573%0.731SS**  trans-74.8150.1169.132.6-32.9000109.7T778P776-T778 PolarHBondContact O-N 3.48Å; P776-T778 PolarHBondContact O-OG1 3.48Å
777P35.8Very low39.6Very low137 Ų137125.7 Ų125.789%0.8974%0.739SS**  trans-73.470.8165.432.2-34.5000110.5
778T33.6Very low37.5Very low118 Ų118129 Ų12972%0.72476%0.763SS**  trans-54.9140.815426.10000109.2P776P776-T778 PolarHBondContact O-N 3.48Å; P776-T778 PolarHBondContact O-OG1 3.48Å
779S32.3Very low35.7Very low98 Ų98133 Ų13369%0.68579%0.786SS**  cis-158.9131.76.4500000111.7
780T35.3Very low34.2Very low136 Ų136135.2 Ų135.283%0.83480%0.804SS**SBendtrans-163.6126.7142.9-2.60000111.8
781T34.5Very low32.9Very low135 Ų135127.2 Ų127.283%0.82880%0.796SS**  trans59.190.4159.6-20.70000118
782E29.2Very low32.1Very low194 Ų194122.6 Ų122.691%0.90779%0.794SS**  trans-75.6148.4169.3-58146.8120.400112.2
783A28.2Very low31.6Very low99 Ų99127.3 Ų127.382%0.81880%0.799SS**  trans-158139.2156.200000111.5
784A28Very low31Very low97 Ų97122.3 Ų122.380%0.80280%0.797SS**  trans51.282.2163.200000118.5
785A32.7Very low30.9Very low93 Ų93128 Ų12877%0.76981%0.808SS**  -81.3170.212900000109.3
786V30.1Very low30.8Very low142 Ų142123.9 Ų123.986%0.86180%0.795SS**  trans81.5150.1-173.4-170.50000113.7
787A27.9Very low30.8Very low86 Ų86129 Ų12971%0.71181%0.811SS**  trans66.2115-174.900000114.7
788S27.9Very low30.8Very low103 Ų103127.1 Ų127.172%0.7281%0.807SS**  cis92.4119.343.474.40000114.3
789T32Very low30.9Very low128 Ų128126.2 Ų126.279%0.78581%0.812SS**SBendtrans37.1130.7149.941.70000121.9
790S28Very low31.1Very low132 Ų132124.8 Ų124.892%0.92381%0.813SS**  trans73.5171.616283.20000116.6
791G29Very low31.5Very low73 Ų73122 Ų12275%0.75379%0.793SS**  trans111.489.2175.200000115.1
792T31.2Very low32.5Very low135 Ų135119.8 Ų119.883%0.82878%0.779SS**  trans-71.2123.5165.841.30000112.2
793Q28.3Very low33.2Very low200 Ų200116.8 Ų116.894%0.93577%0.769SS**  trans170.6163.5138.1-94.2167.218.200110
794G28.9Very low34.3Very low79 Ų79117.3 Ų117.381%0.81476%0.761SS**  trans104.371.3-177.200000114.3
795R30.1Very low35.8Very low260 Ų260118.3 Ų118.398%0.98175%0.748SS**  trans-111.349.7-174.6-162.6177.9177.1149-1.8113
796A31.3Very low37.1Very low69 Ų69120.7 Ų120.757%0.5774%0.741SS**SBendtrans-136.4171177.100000111.8A798A796-A798 PolarHBondContact O-N 2.77Å
797H33.4Very low38.7Very low194 Ų194119.3 Ų119.390%0.89873%0.728SS**SBendtrans61-6.8174.9-53.2-67000119.7A799H797-A799 PolarHBondContact O-N 3.29Å; H797-A799 VanDerWaalsContact O-N 3.16Å
798A34.4Very low40.6Very low98 Ų98120.1 Ų120.181%0.8172%0.717SS**THydrogen-bonded Turntrans-765.5-179.500000116.2A796A796-A798 PolarHBondContact O-N 2.77Å
799A37.5Very low42.8Very low100 Ų100122 Ų12283%0.82671%0.712SS**THydrogen-bonded Turntrans-90.3-24.6-168.700000115.6H797 D801H797-A799 PolarHBondContact O-N 3.29Å; H797-A799 VanDerWaalsContact O-N 3.16Å; A799-D801 PolarHBondContact O-N 3.11Å
800G36Very low44.6Very low68 Ų68121 Ų12170%0.70170%0.701SS**  trans-73.910.1-168.300000117.1T802G800-T802 VanDerWaalsContact C-N 3.34Å; G800-T802 PolarHBondContact O-N 3.38Å
801D44.2Very low46.5Very low78 Ų78116.2 Ų116.242%0.41767%0.67SS.*  trans-80.281.1-172.6-124.737.5000111.7A799 K805A799-D801 PolarHBondContact O-N 3.11Å; D801-K805 VanDerWaalsContact CG-CD 3.45Å; D801-K805 WeakPolarHBondContact OD1-CD 3.38Å; D801-K805 WeakPolarHBondContact OD1-CE 3.43Å; D801-K805 IonicContact OD1-NZ 2.8Å; D801-K805 PolarHBondContact OD1-NZ 3.22Å; D801-K805 WeakPolarHBondContact OD2-CD 3.38Å
802T54.5Low48.7Very low87 Ų87116.6 Ų116.653%0.53466%0.655SS.*  trans-40.2144.3-17657.70000114.1G800 V804 K805G800-T802 VanDerWaalsContact C-N 3.34Å; G800-T802 PolarHBondContact O-N 3.38Å; T802-V804 PolarHBondContact O-N 2.93Å; T802-K805 WeakPolarHBondContact O-CB 3.36Å; T802-K805 PolarHBondContact O-N 3.01Å
803L43.1Very low51Low131 Ų131116.2 Ų116.269%0.68664%0.643SS**Hα-helixtrans-50.3-33.2-174.8-170148.7000113.3K805 K806 L807L803-K805 PolarHBondContact O-N 3.28Å; L803-K806 PolarHBondContact O-N 3.46Å; L803-L807 HydrophobicContact CD2-CD1 3.84Å; L803-L807 WeakPolarHBondContact O-CB 3.15Å; L803-L807 PolarHBondContact O-N 2.64Å
804V51.2Low53.2Low110 Ų110110 Ų11067%0.66762%0.619SS**Hα-helixtrans-58.6-40.8174.2-176.60000113T802 L807 H808T802-V804 PolarHBondContact O-N 2.93Å; V804-L807 PolarHBondContact O-N 2.88Å; V804-H808 WeakPolarHBondContact O-CB 3.44Å; V804-H808 PolarHBondContact O-N 3.39Å
805K59.6Low55.6Low119 Ų119109.8 Ų109.852%0.51760%0.599SS.*Hα-helixtrans-64.3-44175.4-81-175.4177.6-175.40111.6D801 T802 L803 H808 K809D801-K805 VanDerWaalsContact CG-CD 3.45Å; D801-K805 WeakPolarHBondContact OD1-CD 3.38Å; D801-K805 WeakPolarHBondContact OD1-CE 3.43Å; D801-K805 IonicContact OD1-NZ 2.8Å; D801-K805 PolarHBondContact OD1-NZ 3.22Å; D801-K805 WeakPolarHBondContact OD2-CD 3.38Å; T802-K805 WeakPolarHBondContact O-CB 3.36Å; T802-K805 PolarHBondContact O-N 3.01Å; L803-K805 PolarHBondContact O-N 3.28Å; K805-H808 PolarHBondContact O-N 3.33Å; K805-K809 WeakPolarHBondContact O-CB 3.26Å; K805-K809 PolarHBondContact O-N 3.02Å
806K61.1Low58Low143 Ų14399 Ų9962%0.62256%0.56SS**Hα-helixtrans-62.4-45.6176.1-76.6177.9178.8168.50110.9L803 K809 L810L803-K806 PolarHBondContact O-N 3.46Å; K806-K809 PolarHBondContact O-N 3.42Å; K806-L810 VanDerWaalsContact O-CB 3.28Å; K806-L810 WeakPolarHBondContact O-CB 3.15Å; K806-L810 PolarHBondContact O-N 3.48Å
807L64.1Low60.4Low113 Ų11398.7 Ų98.759%0.59255%0.548SS*.Hα-helixtrans-67.1-38179.6-146.3157.3000111.5L803 V804 L810 A811L803-L807 HydrophobicContact CD2-CD1 3.84Å; L803-L807 WeakPolarHBondContact O-CB 3.15Å; L803-L807 PolarHBondContact O-N 2.64Å; V804-L807 PolarHBondContact O-N 2.88Å; L807-L810 PolarHBondContact O-N 3.16Å; L807-A811 WeakPolarHBondContact O-CB 3.33Å; L807-A811 PolarHBondContact O-N 2.81Å
808H67.1Low62.7Low102 Ų10293.8 Ų93.847%0.47253%0.528SS..Hα-helixtrans-68.8-37.4173.1-172.2-76.1000112.9V804 K805 N812V804-H808 WeakPolarHBondContact O-CB 3.44Å; V804-H808 PolarHBondContact O-N 3.39Å; K805-H808 PolarHBondContact O-N 3.33Å; H808-N812 PolarHBondContact CE1-ND2 2.85Å; H808-N812 WeakPolarHBondContact O-CB 3.4Å; H808-N812 PolarHBondContact O-N 3.19Å
809K74.2Confident65.2Low142 Ų14291.4 Ų91.462%0.61750%0.498SS*.Hα-helixtrans-66.7-42.8174.1-172.5173.3-177.3175.10111.3K805 K806 N812 Q813K805-K809 WeakPolarHBondContact O-CB 3.26Å; K805-K809 PolarHBondContact O-N 3.02Å; K806-K809 PolarHBondContact O-N 3.42Å; K809-N812 PolarHBondContact O-N 3.29Å; K809-Q813 WeakPolarHBondContact O-CB 3.38Å; K809-Q813 WeakPolarHBondContact O-CG 3.33Å; K809-Q813 PolarHBondContact O-N 2.74Å
810L68.7Low67.3Low108 Ų10890.5 Ų90.557%0.56547%0.473SS*.Hα-helixtrans-69.4-38.9177.4-160.8157.5000111.2K806 L807 Q813 T814K806-L810 VanDerWaalsContact O-CB 3.28Å; K806-L810 WeakPolarHBondContact O-CB 3.15Å; K806-L810 PolarHBondContact O-N 3.48Å; L807-L810 PolarHBondContact O-N 3.16Å; L810-Q813 PolarHBondContact O-N 2.82Å; L810-T814 HydrophobicContact CD2-CG2 3.93Å; L810-T814 WeakPolarHBondContact O-CB 3.37Å; L810-T814 WeakPolarHBondContact O-CG2 3.49Å; L810-T814 PolarHBondContact O-N 2.83Å; L810-T814 PolarHBondContact O-OG1 3.49Å
811A69.6Low69.7Low31 Ų3191.6 Ų91.626%0.25646%0.459SS..Hα-helixtrans-60.5-48.4170.700000111.3L807 Q813 T814 I815L807-A811 WeakPolarHBondContact O-CB 3.33Å; L807-A811 PolarHBondContact O-N 2.81Å; A811-Q813 VanDerWaalsContact C-N 3.35Å; A811-Q813 PolarHBondContact O-N 3.45Å; A811-T814 WeakPolarHBondContact CA-OG1 3.3Å; A811-T814 PolarHBondContact O-N 3.14Å; A811-T814 PolarHBondContact O-OG1 3.04Å; A811-T814 VanDerWaalsContact O-OG1 3.07Å; A811-I815 VanDerWaalsContact O-CB 3.26Å; A811-I815 WeakPolarHBondContact O-CB 3.44Å; A811-I815 WeakPolarHBondContact O-CD1 3.43Å; A811-I815 WeakPolarHBondContact O-CG1 3.29Å; A811-I815 PolarHBondContact O-N 3.43Å
812N75.4Confident71.6Confident82 Ų8290.4 Ų90.444%0.43945%0.45SS..Hα-helixtrans-61.6-41.2176-782.4000112.3H808 K809 E816H808-N812 PolarHBondContact CE1-ND2 2.85Å; H808-N812 WeakPolarHBondContact O-CB 3.4Å; H808-N812 PolarHBondContact O-N 3.19Å; K809-N812 PolarHBondContact O-N 3.29Å; N812-E816 PolarHBondContact O-N 2.91Å
813Q77.4Confident73Confident126 Ų12687 Ų8759%0.58943%0.428SS*.Hα-helixtrans-66.9-39177.2-75.4179-41.500112.9K809 L810 A811 L817K809-Q813 WeakPolarHBondContact O-CB 3.38Å; K809-Q813 WeakPolarHBondContact O-CG 3.33Å; K809-Q813 PolarHBondContact O-N 2.74Å; L810-Q813 PolarHBondContact O-N 2.82Å; A811-Q813 VanDerWaalsContact C-N 3.35Å; A811-Q813 PolarHBondContact O-N 3.45Å; Q813-L817 WeakPolarHBondContact O-CB 3.28Å; Q813-L817 PolarHBondContact O-N 3.34Å
814T75.6Confident74.9Confident70 Ų7082.5 Ų82.543%0.42941%0.406SS..Hα-helixtrans-73.7-34.8176.146.50000112.3L810 A811 L817 L818L810-T814 HydrophobicContact CD2-CG2 3.93Å; L810-T814 WeakPolarHBondContact O-CB 3.37Å; L810-T814 WeakPolarHBondContact O-CG2 3.49Å; L810-T814 PolarHBondContact O-N 2.83Å; L810-T814 PolarHBondContact O-OG1 3.49Å; A811-T814 WeakPolarHBondContact CA-OG1 3.3Å; A811-T814 PolarHBondContact O-N 3.14Å; A811-T814 PolarHBondContact O-OG1 3.04Å; A811-T814 VanDerWaalsContact O-OG1 3.07Å; T814-L817 PolarHBondContact O-N 3.26Å; T814-L818 WeakPolarHBondContact O-CB 3.34Å; T814-L818 PolarHBondContact O-N 3.4Å
815I79.5Confident76.6Confident74 Ų7480.1 Ų80.138%0.37939%0.387SS..Hα-helixtrans-62-49.5171.5-72.7165.1000110.2A811 L817 L818 W819A811-I815 VanDerWaalsContact O-CB 3.26Å; A811-I815 WeakPolarHBondContact O-CB 3.44Å; A811-I815 WeakPolarHBondContact O-CD1 3.43Å; A811-I815 WeakPolarHBondContact O-CG1 3.29Å; A811-I815 PolarHBondContact O-N 3.43Å; I815-L817 PolarHBondContact O-N 3.27Å; I815-L818 PolarHBondContact O-N 2.93Å; I815-W819 PolarHBondContact O-N 3.26Å
816E80.8Confident77.8Confident35 Ų3574.7 Ų74.716%0.16436%0.364CS..Hα-helixtrans-66.2-35.2176.9-67-53.8155.300112.9N812 L818 W819 R820 R950N812-E816 PolarHBondContact O-N 2.91Å; E816-L818 VanDerWaalsContact C-N 3.33Å; E816-W819 PolarHBondContact O-N 3.06Å; E816-R820 WeakPolarHBondContact O-CG 3.39Å; E816-R820 PolarHBondContact O-N 2.94Å; E816-R950 IonicContact OE1-CZ 2.74Å; E816-R950 IonicContact OE1-NH1 3.59Å; E816-R950 PolarHBondContact OE1-NH1 3.26Å; E816-R950 IonicContact OE1-NH2 2.74Å; E816-R950 PolarHBondContact OE1-NH2 3.17Å; E816-R950 IonicContact OE2-CZ 2.81Å; E816-R950 IonicContact OE2-NH1 3.34Å; E816-R950 PolarHBondContact OE2-NH1 3.04Å; E816-R950 IonicContact OE2-NH2 2.97Å
817L80.2Confident78.9Confident62 Ų6269.2 Ų69.233%0.32534%0.343SS..Hα-helixtrans-62.1-41.3172.3-177.563.4000111.7Q813 T814 I815 R820 F821 V968 F969Q813-L817 WeakPolarHBondContact O-CB 3.28Å; Q813-L817 PolarHBondContact O-N 3.34Å; T814-L817 PolarHBondContact O-N 3.26Å; I815-L817 PolarHBondContact O-N 3.27Å; L817-R820 PolarHBondContact O-N 2.9Å; L817-F821 WeakPolarHBondContact O-CB 3.48Å; L817-F821 PolarHBondContact O-N 3.1Å; L817-V968 HydrophobicContact CD1-CG1 3.6Å; L817-F969 HydrophobicContact CD1-CD1 4.23Å; L817-F969 HydrophobicContact CD1-CE1 3.54Å; L817-F969 HydrophobicContact CD1-CZ 3.88Å; L817-F969 HydrophobicContact CD2-CE1 4.19Å; L817-F969 HydrophobicContact CD2-CZ 4.32Å
818L83.1Confident80Confident91 Ų9167.7 Ų67.748%0.47633%0.332SS..Hα-helixtrans-68.8-37.3177.7176.9140.1000112.1T814 I815 E816 F821 F822T814-L818 WeakPolarHBondContact O-CB 3.34Å; T814-L818 PolarHBondContact O-N 3.4Å; I815-L818 PolarHBondContact O-N 2.93Å; E816-L818 VanDerWaalsContact C-N 3.33Å; L818-F821 PolarHBondContact O-N 3.49Å; L818-F822 HydrophobicContact CD2-CD2 3.86Å; L818-F822 HydrophobicContact CD2-CE2 3.59Å; L818-F822 HydrophobicContact CG-CD2 4.28Å; L818-F822 HydrophobicContact CG-CE2 4.05Å; L818-F822 WeakPolarHBondContact O-CD2 3.25Å; L818-F822 PolarHBondContact O-N 2.76Å
819W85.9Confident81Confident48 Ų4865.8 Ų65.818%0.18233%0.325CS..Hα-helixtrans-68.6-33.8170.2-69.7109.3000113I815 E816 E823 F943 V947 R950 Q951I815-W819 PolarHBondContact O-N 3.26Å; E816-W819 PolarHBondContact O-N 3.06Å; W819-E823 PolarHBondContact O-N 3.16Å; W819-F943 HydrophobicContact CH2-CE2 4.28Å; W819-F943 HydrophobicContact CH2-CZ 4.45Å; W819-F943 HydrophobicContact CZ3-CE2 4.28Å; W819-F943 HydrophobicContact CZ3-CZ 4.17Å; W819-V947 HydrophobicContact CE3-CG1 4.49Å; W819-V947 HydrophobicContact CE3-CG2 4.09Å; W819-V947 HydrophobicContact CZ3-CB 4.41Å; W819-V947 HydrophobicContact CZ3-CG2 3.78Å; W819-R950 VanDerWaalsContact CD2-CD 3.46Å; W819-R950 VanDerWaalsContact CE2-CD 3.46Å; W819-Q951 VanDerWaalsContact CB-NE2 3.28Å
820R82.1Confident81.7Confident80 Ų8059.1 Ų59.130%0.30230%0.296SS..Hα-helixtrans-66.9-42.5171.9-74.3177.6-177.2-1690.7111.7E816 L817 E823 V824E816-R820 WeakPolarHBondContact O-CG 3.39Å; E816-R820 PolarHBondContact O-N 2.94Å; L817-R820 PolarHBondContact O-N 2.9Å; R820-E823 WeakPolarHBondContact O-CB 3.38Å; R820-E823 PolarHBondContact O-N 3.3Å; R820-V824 PolarHBondContact O-N 2.64Å; R820-V824 VanDerWaalsContact O-N 3.16Å
821F85.5Confident82.8Confident92 Ų9255.2 Ų55.240%0.40428%0.275SS..Hα-helixtrans-59.7-47.2173.8178.1-97.1000111.2L817 L818 E823 V824 H825L817-F821 WeakPolarHBondContact O-CB 3.48Å; L817-F821 PolarHBondContact O-N 3.1Å; L818-F821 PolarHBondContact O-N 3.49Å; F821-E823 VanDerWaalsContact C-N 3.34Å; F821-E823 PolarHBondContact O-N 2.84Å; F821-V824 PolarHBondContact O-N 2.97Å; F821-H825 AromaticContact CD2-CD2 3.66Å; F821-H825 AromaticContact CE2-CD2 3.49Å; F821-H825 VanDerWaalsContact CE2-CD2 3.49Å; F821-H825 WeakPolarHBondContact CE2-CD2 3.48Å; F821-H825 AromaticContact CE2-NE2 3.66Å; F821-H825 HydrophobicContact CZ-CB 4.47Å; F821-H825 AromaticContact CZ-CD2 3.97Å; F821-H825 WeakPolarHBondContact O-CB 3.41Å; F821-H825 PolarHBondContact O-CD2 3.21Å; F821-H825 PolarHBondContact O-N 3.28Å
822F85.6Confident83.7Confident52 Ų5255.4 Ų55.423%0.22827%0.272CS..Hα-helixtrans-60.7-40.2172.6-77.3-45.8000112.3L818 V824 H825 I826 I829 F943 V947L818-F822 HydrophobicContact CD2-CD2 3.86Å; L818-F822 HydrophobicContact CD2-CE2 3.59Å; L818-F822 HydrophobicContact CG-CD2 4.28Å; L818-F822 HydrophobicContact CG-CE2 4.05Å; L818-F822 WeakPolarHBondContact O-CD2 3.25Å; L818-F822 PolarHBondContact O-N 2.76Å; F822-V824 VanDerWaalsContact C-N 3.27Å; F822-V824 PolarHBondContact O-N 3.42Å; F822-H825 PolarHBondContact O-N 2.91Å; F822-I826 WeakPolarHBondContact O-CA 3.45Å; F822-I826 WeakPolarHBondContact O-CB 3.41Å; F822-I826 WeakPolarHBondContact O-CG2 3.44Å; F822-I826 PolarHBondContact O-N 2.89Å; F822-I829 HydrophobicContact CD1-CD1 4.28Å; F822-I829 HydrophobicContact CE1-CD1 4.38Å; F822-F943 HydrophobicContact CD2-CE1 4.27Å; F822-F943 HydrophobicContact CD2-CZ 4.29Å; F822-F943 HydrophobicContact CE2-CE1 4.2Å; F822-F943 HydrophobicContact CE2-CZ 4.16Å; F822-F943 HydrophobicContact CG-CE1 4.45Å; F822-F943 HydrophobicContact CZ-CE1 4.36Å; F822-V947 HydrophobicContact CB-CG1 4.08Å; F822-V947 HydrophobicContact CB-CG2 4.25Å
823E84.1Confident84.5Confident15 Ų1554 Ų547%0.0726%0.264CS..Hα-helixtrans-58.5-37.4177.8-165.9-173.7171.800113.2W819 R820 F821 R955 R965W819-E823 PolarHBondContact O-N 3.16Å; R820-E823 WeakPolarHBondContact O-CB 3.38Å; R820-E823 PolarHBondContact O-N 3.3Å; F821-E823 VanDerWaalsContact C-N 3.34Å; F821-E823 PolarHBondContact O-N 2.84Å; E823-R955 VanDerWaalsContact CD-NH2 3.27Å; E823-R955 IonicContact OE1-CZ 2.9Å; E823-R955 VanDerWaalsContact OE1-CZ 3.31Å; E823-R955 IonicContact OE1-NH1 2.81Å; E823-R955 PolarHBondContact OE1-NH1 3.04Å; E823-R955 IonicContact OE1-NH2 2.65Å; E823-R955 PolarHBondContact OE1-NH2 3.23Å; E823-R955 IonicContact OE2-CZ 2.6Å; E823-R955 IonicContact OE2-NH1 2.63Å; E823-R955 IonicContact OE2-NH2 2.72Å; E823-R955 PolarHBondContact OE2-NH2 2.72Å; E823-R965 HydrophobicContact CG-CG 4.48Å; E823-R965 WeakPolarHBondContact OE1-CG 3.44Å; E823-R965 IonicContact OE1-NE 3.4Å
824V81.5Confident85.1Confident38 Ų3848.1 Ų48.123%0.2324%0.237CC..Hα-helixtrans-78.3-32.7178.71770000112.6R820 F821 F822 V968R820-V824 PolarHBondContact O-N 2.64Å; R820-V824 VanDerWaalsContact O-N 3.16Å; F821-V824 PolarHBondContact O-N 2.97Å; F822-V824 VanDerWaalsContact C-N 3.27Å; F822-V824 PolarHBondContact O-N 3.42Å; V824-V968 HydrophobicContact CG2-CG2 4.3Å
825H86.5Confident85.8Confident59 Ų5945 Ų4527%0.27322%0.218SC..Hα-helixtrans-111.7-14.1-169.2-69.8-92.7000116.1F821 F822 S827 K828 I829F821-H825 AromaticContact CD2-CD2 3.66Å; F821-H825 AromaticContact CE2-CD2 3.49Å; F821-H825 VanDerWaalsContact CE2-CD2 3.49Å; F821-H825 WeakPolarHBondContact CE2-CD2 3.48Å; F821-H825 AromaticContact CE2-NE2 3.66Å; F821-H825 HydrophobicContact CZ-CB 4.47Å; F821-H825 AromaticContact CZ-CD2 3.97Å; F821-H825 WeakPolarHBondContact O-CB 3.41Å; F821-H825 PolarHBondContact O-CD2 3.21Å; F821-H825 PolarHBondContact O-N 3.28Å; F822-H825 PolarHBondContact O-N 2.91Å; H825-S827 PolarHBondContact O-N 2.74Å; H825-K828 WeakPolarHBondContact O-CB 3.09Å; H825-K828 PolarHBondContact O-N 3.39Å; H825-K828 VanDerWaalsContact O-N 3.09Å; H825-I829 HydrophobicContact CB-CD1 4.06Å; H825-I829 WeakPolarHBondContact O-CG1 3.32Å; H825-I829 PolarHBondContact O-N 3.27Å
826I86Confident86.4Confident6 Ų644.7 Ų44.73%0.03122%0.217CC..Hα-helixtrans-61.5-38.1-168.2-172.357.5000114F822 K828 I829 V830 F943 Q944 V947F822-I826 WeakPolarHBondContact O-CA 3.45Å; F822-I826 WeakPolarHBondContact O-CB 3.41Å; F822-I826 WeakPolarHBondContact O-CG2 3.44Å; F822-I826 PolarHBondContact O-N 2.89Å; I826-K828 PolarHBondContact O-N 3.22Å; I826-I829 PolarHBondContact O-N 2.81Å; I826-V830 HydrophobicContact CD1-CG2 4.25Å; I826-V830 HydrophobicContact CG1-CG2 4.38Å; I826-V830 WeakPolarHBondContact O-CG2 3.48Å; I826-V830 PolarHBondContact O-N 2.86Å; I826-F943 HydrophobicContact CD1-CD1 3.9Å; I826-F943 HydrophobicContact CD1-CE1 4.31Å; I826-Q944 HydrophobicContact CG1-CB 4.05Å; I826-Q944 HydrophobicContact CG1-CG 4.23Å; I826-Q944 HydrophobicContact CG2-CG 4.25Å; I826-V947 HydrophobicContact CG2-CG1 4.39Å
827S83.7Confident86.8Confident27 Ų2744 Ų4419%0.18921%0.213CC..Hα-helixtrans-62.4-42.7176.350.80000111.7H825 I829 V830 F831H825-S827 PolarHBondContact O-N 2.74Å; S827-I829 PolarHBondContact O-N 2.78Å; S827-V830 PolarHBondContact O-N 2.59Å; S827-F831 WeakPolarHBondContact O-CD1 3.49Å; S827-F831 WeakPolarHBondContact O-CD2 3.39Å; S827-F831 WeakPolarHBondContact O-CG 3.43Å; S827-F831 PolarHBondContact O-N 2.85Å
828K87.4Confident87.3Confident81 Ų8141 Ų4135%0.35220%0.197SC..Hα-helixtrans-63.7-40.6174.8-53.9-173-176.8-168.70111.9H825 I826 F831 V832 C1115H825-K828 WeakPolarHBondContact O-CB 3.09Å; H825-K828 PolarHBondContact O-N 3.39Å; H825-K828 VanDerWaalsContact O-N 3.09Å; I826-K828 PolarHBondContact O-N 3.22Å; K828-F831 PolarHBondContact O-N 3.32Å; K828-V832 WeakPolarHBondContact O-CG2 3.41Å; K828-V832 PolarHBondContact O-N 3.39Å; K828-C1115 PolarHBondContact NZ-SG 3.08Å; K828-C1115 VanDerWaalsContact NZ-SG 3.42Å
829I88.2Confident87.6Confident62 Ų6236.8 Ų36.832%0.31818%0.175SC..Hα-helixtrans-64.3-44.3177.3-66.6165.5000110.6F822 H825 I826 S827 V832 I833F822-I829 HydrophobicContact CD1-CD1 4.28Å; F822-I829 HydrophobicContact CE1-CD1 4.38Å; H825-I829 HydrophobicContact CB-CD1 4.06Å; H825-I829 WeakPolarHBondContact O-CG1 3.32Å; H825-I829 PolarHBondContact O-N 3.27Å; I826-I829 PolarHBondContact O-N 2.81Å; S827-I829 PolarHBondContact O-N 2.78Å; I829-V832 PolarHBondContact O-N 2.9Å; I829-I833 HydrophobicContact CG2-CD1 3.94Å; I829-I833 WeakPolarHBondContact O-CG1 3.47Å; I829-I833 PolarHBondContact O-N 3.34Å
830V89.3Confident87.7Confident3 Ų339 Ų392%0.01819%0.191CC..Hα-helixtrans-62.4-42.1175.1170.40000111.3I826 S827 V832 I833 I834 A940 L941 Q944I826-V830 HydrophobicContact CD1-CG2 4.25Å; I826-V830 HydrophobicContact CG1-CG2 4.38Å; I826-V830 WeakPolarHBondContact O-CG2 3.48Å; I826-V830 PolarHBondContact O-N 2.86Å; S827-V830 PolarHBondContact O-N 2.59Å; V830-V832 PolarHBondContact O-N 3.22Å; V830-I833 PolarHBondContact O-N 3.42Å; V830-I834 HydrophobicContact CG1-CD1 3.74Å; V830-I834 HydrophobicContact CG1-CG1 4.5Å; V830-I834 WeakPolarHBondContact O-CG1 3.26Å; V830-I834 PolarHBondContact O-N 2.83Å; V830-A940 HydrophobicContact CG2-CB 4.28Å; V830-L941 HydrophobicContact CG1-CD2 3.79Å; V830-L941 HydrophobicContact CG1-CG 4.23Å; V830-Q944 HydrophobicContact CG2-CB 4.24Å
831F90.4Very high87.9Confident26 Ų2637.6 Ų37.611%0.11419%0.189CC..Hα-helixtrans-61.2-42.7174.7-61.9-22.4000112.4S827 K828 I834 A835 L853 A856 I857 A863 F1107S827-F831 WeakPolarHBondContact O-CD1 3.49Å; S827-F831 WeakPolarHBondContact O-CD2 3.39Å; S827-F831 WeakPolarHBondContact O-CG 3.43Å; S827-F831 PolarHBondContact O-N 2.85Å; K828-F831 PolarHBondContact O-N 3.32Å; F831-I834 PolarHBondContact O-N 3.36Å; F831-A835 VanDerWaalsContact O-CB 3.29Å; F831-A835 WeakPolarHBondContact O-CB 3.27Å; F831-A835 PolarHBondContact O-N 3.42Å; F831-L853 HydrophobicContact CB-CD1 3.84Å; F831-L853 HydrophobicContact CD1-CD1 3.9Å; F831-L853 HydrophobicContact CG-CD1 4.05Å; F831-A856 HydrophobicContact CE1-CB 3.84Å; F831-A856 HydrophobicContact CZ-CB 3.83Å; F831-I857 HydrophobicContact CD2-CG1 3.98Å; F831-I857 HydrophobicContact CE2-CG1 4.22Å; F831-A863 HydrophobicContact CE1-CB 4.36Å; F831-A863 HydrophobicContact CZ-CB 3.78Å; F831-F1107 HydrophobicContact CB-CZ 4.06Å
832V90.2Very high88Confident34 Ų3435.2 Ų35.221%0.20618%0.18CC..Hα-helixtrans-63.1-43.7176.4169.30000111.5K828 I829 V830 I834 A835 I836 F1107 F1108 L1111K828-V832 WeakPolarHBondContact O-CG2 3.41Å; K828-V832 PolarHBondContact O-N 3.39Å; I829-V832 PolarHBondContact O-N 2.9Å; V830-V832 PolarHBondContact O-N 3.22Å; V832-I834 VanDerWaalsContact C-N 3.35Å; V832-I834 PolarHBondContact O-N 3.08Å; V832-A835 PolarHBondContact O-N 3.04Å; V832-I836 HydrophobicContact CG1-CD1 3.72Å; V832-I836 HydrophobicContact CG1-CG1 4.49Å; V832-I836 WeakPolarHBondContact O-CG1 3.15Å; V832-I836 PolarHBondContact O-N 3.45Å; V832-F1107 HydrophobicContact CG2-CE1 3.9Å; V832-F1108 HydrophobicContact CG1-CZ 4.27Å; V832-F1108 HydrophobicContact CG2-CE1 4.13Å; V832-F1108 HydrophobicContact CG2-CZ 4.36Å; V832-L1111 HydrophobicContact CG2-CD2 4.25Å
833I91.2Very high88Confident52 Ų5234.6 Ų34.627%0.26718%0.179SC..Hα-helixtrans-60.1-46.2177-69.9165.6000110.7I829 V830 F837 V936 A940I829-I833 HydrophobicContact CG2-CD1 3.94Å; I829-I833 WeakPolarHBondContact O-CG1 3.47Å; I829-I833 PolarHBondContact O-N 3.34Å; V830-I833 PolarHBondContact O-N 3.42Å; I833-F837 WeakPolarHBondContact O-CB 3.47Å; I833-F837 PolarHBondContact O-N 2.86Å; I833-V936 HydrophobicContact CG2-CG1 4.22Å; I833-A940 HydrophobicContact CD1-CB 3.87Å; I833-A940 HydrophobicContact CG2-CB 4.46Å
834I90.8Very high88.2Confident4 Ų434.4 Ų34.42%0.02118%0.18CC..Hα-helixtrans-68.4-39179.5-66.3170.6000111.1V830 F831 V832 F837 I838 L849 L853 M871V830-I834 HydrophobicContact CG1-CD1 3.74Å; V830-I834 HydrophobicContact CG1-CG1 4.5Å; V830-I834 WeakPolarHBondContact O-CG1 3.26Å; V830-I834 PolarHBondContact O-N 2.83Å; F831-I834 PolarHBondContact O-N 3.36Å; V832-I834 VanDerWaalsContact C-N 3.35Å; V832-I834 PolarHBondContact O-N 3.08Å; I834-F837 PolarHBondContact O-N 3.37Å; I834-I838 HydrophobicContact CG2-CD1 3.72Å; I834-I838 HydrophobicContact CG2-CG1 4.35Å; I834-I838 WeakPolarHBondContact O-CD1 3.32Å; I834-I838 VanDerWaalsContact O-CG1 3.26Å; I834-I838 WeakPolarHBondContact O-CG1 3.32Å; I834-I838 PolarHBondContact O-N 3.46Å; I834-L849 HydrophobicContact CG2-CD2 4.01Å; I834-L849 HydrophobicContact CG2-CG 4.21Å; I834-L853 HydrophobicContact CG2-CD2 4.31Å; I834-M871 HydrophobicContact CD1-CE 4.11Å; I834-M871 HydrophobicContact CG2-CE 3.87Å
835A90.3Very high88.5Confident3 Ų333.3 Ų33.33%0.02517%0.173CC..Hα-helixtrans-61.1-48.2176.500000112.2F831 V832 F837 I838 A839 L853 F1107F831-A835 VanDerWaalsContact O-CB 3.29Å; F831-A835 WeakPolarHBondContact O-CB 3.27Å; F831-A835 PolarHBondContact O-N 3.42Å; V832-A835 PolarHBondContact O-N 3.04Å; A835-F837 VanDerWaalsContact C-N 3.34Å; A835-F837 PolarHBondContact O-N 3.08Å; A835-I838 PolarHBondContact O-N 3.22Å; A835-A839 VanDerWaalsContact O-CB 3.3Å; A835-A839 WeakPolarHBondContact O-CB 3.36Å; A835-A839 PolarHBondContact O-N 3.26Å; A835-L853 HydrophobicContact CB-CD2 4.02Å; A835-F1107 HydrophobicContact CB-CD1 3.89Å; A835-F1107 HydrophobicContact CB-CD2 3.56Å; A835-F1107 HydrophobicContact CB-CE1 3.84Å; A835-F1107 HydrophobicContact CB-CE2 3.46Å; A835-F1107 VanDerWaalsContact CB-CE2 3.46Å; A835-F1107 HydrophobicContact CB-CG 3.77Å; A835-F1107 HydrophobicContact CB-CZ 3.63Å
836I91Very high88.8Confident69 Ų6930.6 Ų30.635%0.35416%0.161SC..Hα-helixtrans-64.5-40.1177.6-65.9167000110.7V832 N840 I1104V832-I836 HydrophobicContact CG1-CD1 3.72Å; V832-I836 HydrophobicContact CG1-CG1 4.49Å; V832-I836 WeakPolarHBondContact O-CG1 3.15Å; V832-I836 PolarHBondContact O-N 3.45Å; I836-N840 WeakPolarHBondContact O-CB 3.37Å; I836-N840 PolarHBondContact O-N 3.17Å; I836-N840 VanDerWaalsContact O-N 3.15Å; I836-I1104 HydrophobicContact CG1-CD1 4.32Å
837F90Very high89Confident20 Ų2032.1 Ų32.19%0.08817%0.168CC..Hα-helixtrans-60.2-45.8175.7170.5-114.5000112.1I833 I834 A835 N841 Y846 L849 L875 V934I833-F837 WeakPolarHBondContact O-CB 3.47Å; I833-F837 PolarHBondContact O-N 2.86Å; I834-F837 PolarHBondContact O-N 3.37Å; A835-F837 VanDerWaalsContact C-N 3.34Å; A835-F837 PolarHBondContact O-N 3.08Å; F837-N841 PolarHBondContact O-N 3.32Å; F837-N841 PolarHBondContact O-ND2 3.15Å; F837-Y846 HydrophobicContact CE1-CD1 4.05Å; F837-Y846 AromaticContact CE1-CE1 3.63Å; F837-Y846 HydrophobicContact CE1-CE1 3.63Å; F837-Y846 HydrophobicContact CZ-CD1 4.46Å; F837-Y846 AromaticContact CZ-CE1 3.65Å; F837-Y846 HydrophobicContact CZ-CE1 3.65Å; F837-Y846 AromaticContact CZ-CZ 3.72Å; F837-L849 HydrophobicContact CD1-CD2 4.36Å; F837-L849 HydrophobicContact CE1-CD2 4.33Å; F837-L875 HydrophobicContact CE1-CD2 4.05Å; F837-V934 HydrophobicContact CE1-CG2 4.39Å; F837-V934 HydrophobicContact CE2-CG2 4.13Å; F837-V934 HydrophobicContact CZ-CG2 3.58Å
838I91.2Very high89.3Confident0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-70.3-43.9178.3-60.4160.2000111.6I834 A835 N840 N841 L849 V850 L853 F1054I834-I838 HydrophobicContact CG2-CD1 3.72Å; I834-I838 HydrophobicContact CG2-CG1 4.35Å; I834-I838 WeakPolarHBondContact O-CD1 3.32Å; I834-I838 VanDerWaalsContact O-CG1 3.26Å; I834-I838 WeakPolarHBondContact O-CG1 3.32Å; I834-I838 PolarHBondContact O-N 3.46Å; A835-I838 PolarHBondContact O-N 3.22Å; I838-N840 PolarHBondContact O-N 2.94Å; I838-N841 CarbonylContact O-C 3.58Å; I838-N841 VanDerWaalsContact O-C 3.22Å; I838-N841 PolarHBondContact O-N 2.99Å; I838-L849 HydrophobicContact CD1-CB 3.88Å; I838-L849 HydrophobicContact CD1-CD2 3.89Å; I838-L849 HydrophobicContact CD1-CG 4Å; I838-L849 HydrophobicContact CG1-CB 4.36Å; I838-L849 HydrophobicContact CG1-CD2 3.82Å; I838-L849 HydrophobicContact CG1-CG 4.45Å; I838-V850 HydrophobicContact CD1-CG2 4.17Å; I838-V850 HydrophobicContact CG2-CG2 3.59Å; I838-L853 HydrophobicContact CD1-CD2 4.12Å; I838-F1054 HydrophobicContact CG2-CD2 4.15Å; I838-F1054 HydrophobicContact CG2-CE2 3.4Å; I838-F1054 HydrophobicContact CG2-CZ 3.64Å
839A88.9Confident89.5Confident1 Ų129.3 Ų29.31%0.00816%0.158CC..Hα-helixtrans-60.7-30.5-178.700000112.3A835 I842 S1100 L1103 I1104A835-A839 VanDerWaalsContact O-CB 3.3Å; A835-A839 WeakPolarHBondContact O-CB 3.36Å; A835-A839 PolarHBondContact O-N 3.26Å; A839-I842 WeakPolarHBondContact O-CG1 3.35Å; A839-S1100 WeakPolarHBondContact O-CB 3.41Å; A839-L1103 HydrophobicContact CB-CB 4.17Å; A839-I1104 HydrophobicContact CB-CD1 4.16Å; A839-I1104 HydrophobicContact CB-CG1 3.82Å
840N88Confident89.7Confident96 Ų9626.5 Ų26.551%0.51314%0.143SC..THydrogen-bonded Turntrans-86.6-2174.6-68.8-7.9000114.3I836 I838 S1100I836-N840 WeakPolarHBondContact O-CB 3.37Å; I836-N840 PolarHBondContact O-N 3.17Å; I836-N840 VanDerWaalsContact O-N 3.15Å; I838-N840 PolarHBondContact O-N 2.94Å; N840-S1100 VanDerWaalsContact OD1-CB 3.28Å; N840-S1100 WeakPolarHBondContact OD1-CB 3.42Å; N840-S1100 PolarHBondContact OD1-OG 3.42Å
841N86.3Confident89.8Confident49 Ų4929.8 Ų29.826%0.26216%0.16SC..  trans-137.175.4-179.9-66.9-100000109.5F837 I838 N843 Y846F837-N841 PolarHBondContact O-N 3.32Å; F837-N841 PolarHBondContact O-ND2 3.15Å; I838-N841 CarbonylContact O-C 3.58Å; I838-N841 VanDerWaalsContact O-C 3.22Å; I838-N841 PolarHBondContact O-N 2.99Å; N841-N843 PolarHBondContact O-N 2.95Å; N841-N843 PolarHBondContact O-OD1 3.34Å; N841-Y846 HydrophobicContact CB-CD2 3.96Å; N841-Y846 HydrophobicContact CB-CE2 3.65Å; N841-Y846 VanDerWaalsContact O-CD2 3.27Å; N841-Y846 WeakPolarHBondContact O-CD2 3.43Å
842I86.7Confident89.8Confident43 Ų4330.4 Ų30.422%0.22116%0.164CC..  trans-79.967.6-175.1-49.1178.5000110A839 F1054 Y1057 V1058 W1098 L1103A839-I842 WeakPolarHBondContact O-CG1 3.35Å; I842-F1054 HydrophobicContact CB-CE2 4.39Å; I842-F1054 HydrophobicContact CG1-CE2 4.39Å; I842-F1054 HydrophobicContact CG2-CE2 4.06Å; I842-F1054 HydrophobicContact CG2-CZ 4.33Å; I842-Y1057 HydrophobicContact CD1-CD2 4.32Å; I842-V1058 HydrophobicContact CG2-CG2 3.71Å; I842-W1098 HydrophobicContact CD1-CB 4.31Å; I842-L1103 HydrophobicContact CD1-CD1 4.4Å
843N86.6Confident89.8Confident39 Ų3928.9 Ų28.921%0.20916%0.155CC..  trans-121.8149.8-176.7-52.968.4000110.8N841 L845 Y846 E914 G917N841-N843 PolarHBondContact O-N 2.95Å; N841-N843 PolarHBondContact O-OD1 3.34Å; N843-L845 PolarHBondContact O-N 2.82Å; N843-L845 VanDerWaalsContact O-N 3.13Å; N843-Y846 HydrophobicContact CB-CD2 4.06Å; N843-Y846 HydrophobicContact CB-CE2 4.24Å; N843-Y846 PolarHBondContact O-N 3.17Å; N843-E914 PolarHBondContact ND2-O 3.43Å; N843-G917 WeakPolarHBondContact ND2-CA 3.4Å
844A87.8Confident89.8Confident11 Ų1126.9 Ų26.99%0.09115%0.146CC..G310 helixtrans-58.5-32.6-175.400000113.6Y846 I847 W915 F916 V1058A844-Y846 PolarHBondContact O-N 3.27Å; A844-I847 HydrophobicContact CB-CD1 4.18Å; A844-I847 WeakPolarHBondContact O-CB 3.02Å; A844-I847 WeakPolarHBondContact O-CG1 3.47Å; A844-I847 PolarHBondContact O-N 2.91Å; A844-I847 VanDerWaalsContact O-N 3.11Å; A844-W915 HydrophobicContact CB-CD2 4.39Å; A844-W915 HydrophobicContact CB-CE3 4.11Å; A844-W915 HydrophobicContact CB-CH2 3.82Å; A844-W915 HydrophobicContact CB-CZ2 4.09Å; A844-W915 HydrophobicContact CB-CZ3 3.82Å; A844-W915 PolarHBondContact N-O 2.63Å; A844-F916 HydrophobicContact CB-CD2 4.33Å; A844-V1058 HydrophobicContact CB-CG1 4.28Å
845L88.5Confident89.7Confident15 Ų1530.3 Ų30.38%0.07916%0.164CC..G310 helixtrans-55.7-22.5176.8-172.363.9000114.3N843 Y874 V878 F916N843-L845 PolarHBondContact O-N 2.82Å; N843-L845 VanDerWaalsContact O-N 3.13Å; L845-Y874 WeakPolarHBondContact O-CE1 3.31Å; L845-Y874 PolarHBondContact O-OH 3.19Å; L845-V878 HydrophobicContact CD1-CG2 4.13Å; L845-V878 HydrophobicContact CD2-CB 4.45Å; L845-V878 HydrophobicContact CD2-CG1 3.84Å; L845-V878 HydrophobicContact CD2-CG2 3.97Å; L845-V878 HydrophobicContact CG-CG2 3.95Å; L845-F916 WeakPolarHBondContact CB-O 3.49Å; L845-F916 HydrophobicContact CD1-CE1 3.91Å; L845-F916 HydrophobicContact CD1-CZ 4.11Å; L845-F916 PolarHBondContact N-O 3.06Å
846Y91.7Very high89.5Confident2 Ų230.3 Ų30.31%0.00816%0.164CC..G310 helixtrans-97.4-2.3-178.8-57.3-63.8000114.7F837 N841 N843 A844 L849 V850 V878F837-Y846 HydrophobicContact CE1-CD1 4.05Å; F837-Y846 AromaticContact CE1-CE1 3.63Å; F837-Y846 HydrophobicContact CE1-CE1 3.63Å; F837-Y846 HydrophobicContact CZ-CD1 4.46Å; F837-Y846 AromaticContact CZ-CE1 3.65Å; F837-Y846 HydrophobicContact CZ-CE1 3.65Å; F837-Y846 AromaticContact CZ-CZ 3.72Å; N841-Y846 HydrophobicContact CB-CD2 3.96Å; N841-Y846 HydrophobicContact CB-CE2 3.65Å; N841-Y846 VanDerWaalsContact O-CD2 3.27Å; N841-Y846 WeakPolarHBondContact O-CD2 3.43Å; N843-Y846 HydrophobicContact CB-CD2 4.06Å; N843-Y846 HydrophobicContact CB-CE2 4.24Å; N843-Y846 PolarHBondContact O-N 3.17Å; A844-Y846 PolarHBondContact O-N 3.27Å; Y846-L849 HydrophobicContact CD1-CD2 4.29Å; Y846-L849 WeakPolarHBondContact O-CA 3.26Å; Y846-L849 WeakPolarHBondContact O-CB 3.47Å; Y846-L849 PolarHBondContact O-N 3.33Å; Y846-V850 PolarHBondContact O-N 3.43Å; Y846-V850 VanDerWaalsContact O-N 3.16Å; Y846-V878 HydrophobicContact CE1-CG1 4.27Å
847I90.1Very high89.4Confident37 Ų3727.7 Ų27.719%0.1915%0.151CC..Hα-helixtrans-51.5-46.9175.8-71.8168.3000112.8A844 L849 V850 I851 F1054 F1055 V1058A844-I847 HydrophobicContact CB-CD1 4.18Å; A844-I847 WeakPolarHBondContact O-CB 3.02Å; A844-I847 WeakPolarHBondContact O-CG1 3.47Å; A844-I847 PolarHBondContact O-N 2.91Å; A844-I847 VanDerWaalsContact O-N 3.11Å; I847-L849 PolarHBondContact O-N 2.81Å; I847-V850 PolarHBondContact O-N 3.19Å; I847-I851 HydrophobicContact CG2-CD1 4.02Å; I847-I851 WeakPolarHBondContact O-CG1 3.45Å; I847-I851 PolarHBondContact O-N 2.04Å; I847-F1054 HydrophobicContact CG1-CD1 4.29Å; I847-F1054 HydrophobicContact CG1-CE1 3.94Å; I847-F1055 HydrophobicContact CB-CE1 4.47Å; I847-F1055 HydrophobicContact CD1-CD1 4.21Å; I847-F1055 HydrophobicContact CD1-CE1 4Å; I847-F1055 HydrophobicContact CG1-CD1 4.49Å; I847-F1055 HydrophobicContact CG1-CE1 4.17Å; I847-F1055 HydrophobicContact CG2-CE1 3.49Å; I847-F1055 VanDerWaalsContact CG2-CE1 3.49Å; I847-F1055 HydrophobicContact CG2-CZ 3.75Å; I847-V1058 HydrophobicContact CD1-CG1 4.46Å
848P90.9Very high89.1Confident49 Ų4929.6 Ų29.632%0.31817%0.165SC..Hα-helixtrans-61.7-30176.8-24.236.1000113.2L852P848-L852 WeakPolarHBondContact O-CB 3.31Å; P848-L852 VanDerWaalsContact O-CG 3.3Å; P848-L852 WeakPolarHBondContact O-CG 3.3Å; P848-L852 PolarHBondContact O-N 3.03Å
849L91Very high88.7Confident1 Ų133.8 Ų33.81%0.00519%0.187CC..Hα-helixtrans-70.7-37.5179.3-142.972.6000111.1I834 F837 I838 Y846 I847 L853 M871 Y874 L875I834-L849 HydrophobicContact CG2-CD2 4.01Å; I834-L849 HydrophobicContact CG2-CG 4.21Å; F837-L849 HydrophobicContact CD1-CD2 4.36Å; F837-L849 HydrophobicContact CE1-CD2 4.33Å; I838-L849 HydrophobicContact CD1-CB 3.88Å; I838-L849 HydrophobicContact CD1-CD2 3.89Å; I838-L849 HydrophobicContact CD1-CG 4Å; I838-L849 HydrophobicContact CG1-CB 4.36Å; I838-L849 HydrophobicContact CG1-CD2 3.82Å; I838-L849 HydrophobicContact CG1-CG 4.45Å; Y846-L849 HydrophobicContact CD1-CD2 4.29Å; Y846-L849 WeakPolarHBondContact O-CA 3.26Å; Y846-L849 WeakPolarHBondContact O-CB 3.47Å; Y846-L849 PolarHBondContact O-N 3.33Å; I847-L849 PolarHBondContact O-N 2.81Å; L849-L853 WeakPolarHBondContact O-CB 3.36Å; L849-L853 PolarHBondContact O-N 3.03Å; L849-M871 HydrophobicContact CD1-CE 3.76Å; L849-M871 HydrophobicContact CD1-SD 3.44Å; L849-M871 WeakPolarHBondContact CD1-SD 3.28Å; L849-M871 HydrophobicContact CG-CE 3.71Å; L849-M871 HydrophobicContact CG-SD 4Å; L849-Y874 HydrophobicContact CD1-CD1 4.09Å; L849-L875 HydrophobicContact CD1-CG 4.44Å; L849-L875 HydrophobicContact CD2-CD2 4.09Å
850V92.2Very high88.2Confident3 Ų338.1 Ų38.12%0.01822%0.216CC..Hα-helixtrans-65.4-44.7173.9178.80000111.8I838 Y846 I847 L853 S854 Y1050 P1051 F1054I838-V850 HydrophobicContact CD1-CG2 4.17Å; I838-V850 HydrophobicContact CG2-CG2 3.59Å; Y846-V850 PolarHBondContact O-N 3.43Å; Y846-V850 VanDerWaalsContact O-N 3.16Å; I847-V850 PolarHBondContact O-N 3.19Å; V850-L853 PolarHBondContact O-N 3.1Å; V850-S854 PolarHBondContact O-N 3.36Å; V850-S854 PolarHBondContact O-OG 3.39Å; V850-Y1050 HydrophobicContact CG1-CD1 4.22Å; V850-Y1050 HydrophobicContact CG1-CE1 3.91Å; V850-P1051 HydrophobicContact CG1-CB 4.25Å; V850-P1051 HydrophobicContact CG1-CG 4.36Å; V850-F1054 HydrophobicContact CG1-CB 4.4Å; V850-F1054 HydrophobicContact CG2-CD1 3.78Å; V850-F1054 HydrophobicContact CG2-CD2 4.16Å; V850-F1054 HydrophobicContact CG2-CE1 3.92Å; V850-F1054 HydrophobicContact CG2-CE2 4.31Å; V850-F1054 HydrophobicContact CG2-CG 3.89Å; V850-F1054 HydrophobicContact CG2-CZ 4.19Å
851I91.3Very high87.6Confident71 Ų7139 Ų3936%0.36423%0.229SC..Hα-helixtrans-64.5-47.3179.5-62.7167.4000110I847 L853 S854 L855 F1055I847-I851 HydrophobicContact CG2-CD1 4.02Å; I847-I851 WeakPolarHBondContact O-CG1 3.45Å; I847-I851 PolarHBondContact O-N 2.04Å; I851-L853 VanDerWaalsContact C-N 3.34Å; I851-L853 PolarHBondContact O-N 2.97Å; I851-S854 PolarHBondContact O-OG 2.63Å; I851-L855 HydrophobicContact CG2-CD1 3.94Å; I851-L855 WeakPolarHBondContact O-CB 3.49Å; I851-L855 VanDerWaalsContact O-CG 3.24Å; I851-L855 WeakPolarHBondContact O-CG 3.49Å; I851-L855 PolarHBondContact O-N 2.73Å; I851-F1055 HydrophobicContact CD1-CZ 4.3Å
852L90.9Very high87.4Confident40 Ų4038.2 Ų38.221%0.20923%0.23CC..Hα-helixtrans-64.8-35.2176.8-72.4170.7000112.8P848 A856 F867 M871P848-L852 WeakPolarHBondContact O-CB 3.31Å; P848-L852 VanDerWaalsContact O-CG 3.3Å; P848-L852 WeakPolarHBondContact O-CG 3.3Å; P848-L852 PolarHBondContact O-N 3.03Å; L852-A856 WeakPolarHBondContact O-CB 3.42Å; L852-A856 PolarHBondContact O-N 3.2Å; L852-F867 HydrophobicContact CD2-CD1 3.92Å; L852-F867 HydrophobicContact CD2-CE1 4.25Å; L852-M871 HydrophobicContact CB-CE 4.32Å; L852-M871 HydrophobicContact CB-CG 4.48Å; L852-M871 HydrophobicContact CB-SD 3.4Å; L852-M871 WeakPolarHBondContact CB-SD 3.38Å; L852-M871 HydrophobicContact CD1-CG 4.45Å; L852-M871 HydrophobicContact CD1-SD 3.68Å; L852-M871 HydrophobicContact CG-SD 4.19Å
853L91Very high86.9Confident2 Ų236.5 Ų36.51%0.0122%0.221CC..Hα-helixtrans-68.1-48.4177.5-179.964.1000112.5F831 I834 A835 I838 L849 V850 I851 A856 I857 M871 F1107F831-L853 HydrophobicContact CB-CD1 3.84Å; F831-L853 HydrophobicContact CD1-CD1 3.9Å; F831-L853 HydrophobicContact CG-CD1 4.05Å; I834-L853 HydrophobicContact CG2-CD2 4.31Å; A835-L853 HydrophobicContact CB-CD2 4.02Å; I838-L853 HydrophobicContact CD1-CD2 4.12Å; L849-L853 WeakPolarHBondContact O-CB 3.36Å; L849-L853 PolarHBondContact O-N 3.03Å; V850-L853 PolarHBondContact O-N 3.1Å; I851-L853 VanDerWaalsContact C-N 3.34Å; I851-L853 PolarHBondContact O-N 2.97Å; L853-A856 PolarHBondContact O-N 3.33Å; L853-I857 WeakPolarHBondContact O-CG1 3.22Å; L853-I857 PolarHBondContact O-N 2.66Å; L853-I857 VanDerWaalsContact O-N 3.1Å; L853-M871 HydrophobicContact CB-CE 4.35Å; L853-F1107 HydrophobicContact CD1-CE2 4.28Å; L853-F1107 HydrophobicContact CD2-CD2 4.36Å; L853-F1107 HydrophobicContact CD2-CE2 3.9Å; L853-F1107 HydrophobicContact CG-CE2 4.14Å
854S90.1Very high86.3Confident10 Ų1036.6 Ų36.67%0.0722%0.222CC..Hα-helixtrans-63.2-41.3177.850.80000111.8V850 I851 I857 C858V850-S854 PolarHBondContact O-N 3.36Å; V850-S854 PolarHBondContact O-OG 3.39Å; I851-S854 PolarHBondContact O-OG 2.63Å; S854-I857 PolarHBondContact O-N 2.88Å; S854-C858 PolarHBondContact O-N 3.18Å; S854-C858 PolarHBondContact O-SG 3.38Å
855L88.4Confident85.8Confident75 Ų7538.1 Ų38.139%0.39324%0.239SC..Hα-helixtrans-63.7-40.5171.7-70.3173.1000112.6I851 I857 C858 L859I851-L855 HydrophobicContact CG2-CD1 3.94Å; I851-L855 WeakPolarHBondContact O-CB 3.49Å; I851-L855 VanDerWaalsContact O-CG 3.24Å; I851-L855 WeakPolarHBondContact O-CG 3.49Å; I851-L855 PolarHBondContact O-N 2.73Å; L855-I857 VanDerWaalsContact C-N 3.32Å; L855-I857 PolarHBondContact O-N 3.28Å; L855-C858 PolarHBondContact O-N 3.36Å; L855-L859 WeakPolarHBondContact O-CB 3.48Å; L855-L859 PolarHBondContact O-N 3.32Å
856A87.2Confident85.6Confident4 Ų442.6 Ų42.63%0.03326%0.262CS..Hα-helixtrans-66.5-30.6179.500000113.5F831 L852 L853 L859 A863 F867F831-A856 HydrophobicContact CE1-CB 3.84Å; F831-A856 HydrophobicContact CZ-CB 3.83Å; L852-A856 WeakPolarHBondContact O-CB 3.42Å; L852-A856 PolarHBondContact O-N 3.2Å; L853-A856 PolarHBondContact O-N 3.33Å; A856-L859 CarbonylContact O-C 3.46Å; A856-A863 HydrophobicContact CB-CB 4.05Å; A856-F867 HydrophobicContact CB-CD2 4.09Å
857I87.9Confident85.4Confident14 Ų1444.3 Ų44.37%0.07227%0.269CS..Hα-helixtrans-70.4-42172.3-67.7166.1000110.8F831 L853 S854 L855 F1107 L1110 S1114F831-I857 HydrophobicContact CD2-CG1 3.98Å; F831-I857 HydrophobicContact CE2-CG1 4.22Å; L853-I857 WeakPolarHBondContact O-CG1 3.22Å; L853-I857 PolarHBondContact O-N 2.66Å; L853-I857 VanDerWaalsContact O-N 3.1Å; S854-I857 PolarHBondContact O-N 2.88Å; L855-I857 VanDerWaalsContact C-N 3.32Å; L855-I857 PolarHBondContact O-N 3.28Å; I857-F1107 HydrophobicContact CD1-CD2 4.19Å; I857-F1107 HydrophobicContact CD1-CE2 3.51Å; I857-F1107 HydrophobicContact CD1-CZ 4.09Å; I857-L1110 HydrophobicContact CG2-CG 4.47Å; I857-S1114 WeakPolarHBondContact CG2-OG 3.32Å
858C85.3Confident85.3Confident59 Ų5943.1 Ų43.140%0.39926%0.264SS..Hα-helixtrans-72.1-30.6179-63.10000113.1S854 L855 P860S854-C858 PolarHBondContact O-N 3.18Å; S854-C858 PolarHBondContact O-SG 3.38Å; L855-C858 PolarHBondContact O-N 3.36Å; C858-P860 VanDerWaalsContact C-CD 3.45Å; C858-P860 WeakPolarHBondContact O-CD 3.38Å
859L82.7Confident85Confident89 Ų8944.3 Ų44.347%0.46627%0.267SS..  trans-122.967.1-174.7-60176000112L855 A856 S861 A862L855-L859 WeakPolarHBondContact O-CB 3.48Å; L855-L859 PolarHBondContact O-N 3.32Å; A856-L859 CarbonylContact O-C 3.46Å; L859-S861 PolarHBondContact O-N 2.79Å; L859-A862 PolarHBondContact O-N 3.46Å; L859-A862 VanDerWaalsContact O-N 3.16Å
860P76.7Confident84.9Confident92 Ų9249.8 Ų49.860%0.59729%0.291SS*.Hα-helixtrans-64.5-13-172.125.9-36.1000115C858C858-P860 VanDerWaalsContact C-CD 3.45Å; C858-P860 WeakPolarHBondContact O-CD 3.38Å
861S76.5Confident84.8Confident115 Ų11550.1 Ų50.180%0.80429%0.293SS*.Hα-helixtrans-73.9-31.6175.849.70000113.7L859L859-S861 PolarHBondContact O-N 2.79Å
862A82Confident84.7Confident32 Ų3247 Ų4726%0.26428%0.278SS..Hα-helixtrans-90.2-19.1-17900000113.2L859 G865 I866 F867L859-A862 PolarHBondContact O-N 3.46Å; L859-A862 VanDerWaalsContact O-N 3.16Å; A862-G865 PolarHBondContact O-N 3.44Å; A862-I866 PolarHBondContact O-N 3.12Å; A862-F867 HydrophobicContact CB-CD2 3.96Å; A862-F867 HydrophobicContact CB-CE2 3.59Å; A862-F867 HydrophobicContact CB-CZ 4.16Å
863A76.4Confident84.6Confident6 Ų647.7 Ų47.75%0.0529%0.289CS..Iπ-helixtrans-61.8-49.4-171.900000114.6F831 A856 G865 S868F831-A863 HydrophobicContact CE1-CB 4.36Å; F831-A863 HydrophobicContact CZ-CB 3.78Å; A856-A863 HydrophobicContact CB-CB 4.05Å; A863-G865 PolarHBondContact O-N 2.77Å; A863-G865 VanDerWaalsContact O-N 3.13Å; A863-S868 WeakPolarHBondContact O-CB 3.25Å; A863-S868 PolarHBondContact O-N 2.88Å; A863-S868 VanDerWaalsContact O-N 3.15Å
864D74.5Confident84.6Confident42 Ų4250.7 Ų50.723%0.22530%0.3CS..Iπ-helixtrans-63.1-19-176.2-85-25.7000113.9S868 Q944 R965D864-S868 PolarHBondContact O-OG 3.49Å; D864-Q944 PolarHBondContact OD1-NE2 3.14Å; D864-R965 IonicContact OD2-CZ 2.73Å; D864-R965 IonicContact OD2-NH1 2.73Å; D864-R965 PolarHBondContact OD2-NH1 2.83Å; D864-R965 VanDerWaalsContact OD2-NH1 3.15Å; D864-R965 IonicContact OD2-NH2 2.79Å; D864-R965 PolarHBondContact OD2-NH2 3.07Å
865G77.5Confident84.6Confident43 Ų4350.2 Ų50.244%0.44330%0.297SS..Iπ-helixtrans-108.6-96.9-179.900000111.8A862 A863 F867 S868 L869A862-G865 PolarHBondContact O-N 3.44Å; A863-G865 PolarHBondContact O-N 2.77Å; A863-G865 VanDerWaalsContact O-N 3.13Å; G865-F867 PolarHBondContact O-N 3.38Å; G865-S868 PolarHBondContact O-N 3.36Å; G865-S868 PolarHBondContact O-OG 2.95Å; G865-L869 PolarHBondContact O-N 2.82Å
866I84.3Confident84.6Confident108 Ų10847 Ų4755%0.55428%0.28SS*.Iπ-helixtrans-60-50.2-165.4-62.4173.5000111.6A862 S868 L869 F870A862-I866 PolarHBondContact O-N 3.12Å; I866-S868 PolarHBondContact O-N 2.87Å; I866-L869 PolarHBondContact O-N 3.46Å; I866-F870 HydrophobicContact CG2-CD2 3.68Å; I866-F870 HydrophobicContact CG2-CE2 3.31Å; I866-F870 HydrophobicContact CG2-CZ 4.18Å; I866-F870 PolarHBondContact O-N 3.16Å
867F87.5Confident84.7Confident38 Ų3852.3 Ų52.317%0.16731%0.307CS..Iπ-helixtrans-65.1-42.5-179.6-58.9-38.5000111.5L852 A856 A862 G865 L869 F870 M871L852-F867 HydrophobicContact CD2-CD1 3.92Å; L852-F867 HydrophobicContact CD2-CE1 4.25Å; A856-F867 HydrophobicContact CB-CD2 4.09Å; A862-F867 HydrophobicContact CB-CD2 3.96Å; A862-F867 HydrophobicContact CB-CE2 3.59Å; A862-F867 HydrophobicContact CB-CZ 4.16Å; G865-F867 PolarHBondContact O-N 3.38Å; F867-L869 PolarHBondContact O-N 3.39Å; F867-L869 VanDerWaalsContact O-N 3.16Å; F867-F870 PolarHBondContact O-N 3.47Å; F867-M871 WeakPolarHBondContact O-CB 3.36Å; F867-M871 WeakPolarHBondContact O-CG 3.33Å; F867-M871 PolarHBondContact O-N 2.99Å
868S86Confident84.8Confident12 Ų1251.7 Ų51.78%0.08430%0.304CS..Hα-helixtrans-59.9-28.4176.688.30000113.7K670 A863 D864 G865 I866 C872K670-S868 PolarHBondContact NZ-OG 3.33Å; A863-S868 WeakPolarHBondContact O-CB 3.25Å; A863-S868 PolarHBondContact O-N 2.88Å; A863-S868 VanDerWaalsContact O-N 3.15Å; D864-S868 PolarHBondContact O-OG 3.49Å; G865-S868 PolarHBondContact O-N 3.36Å; G865-S868 PolarHBondContact O-OG 2.95Å; I866-S868 PolarHBondContact O-N 2.87Å; S868-C872 VanDerWaalsContact O-CB 3.31Å; S868-C872 WeakPolarHBondContact O-CB 3.32Å; S868-C872 PolarHBondContact O-N 2.73Å
869L86.3Confident84.9Confident74 Ų7448.9 Ų48.939%0.38729%0.285SS..Hα-helixtrans-78.1-45.9177.2-177.5134.6000111.6G865 I866 F867 C872 A873G865-L869 PolarHBondContact O-N 2.82Å; I866-L869 PolarHBondContact O-N 3.46Å; F867-L869 PolarHBondContact O-N 3.39Å; F867-L869 VanDerWaalsContact O-N 3.16Å; L869-C872 PolarHBondContact O-N 3.1Å; L869-A873 WeakPolarHBondContact O-CB 3.45Å; L869-A873 PolarHBondContact O-N 2.68Å
870F89.1Confident85.1Confident116 Ų11647.3 Ų47.351%0.50928%0.277SS..Hα-helixtrans-63.6-42.2175.9-69.7-43.2000112.5I866 F867 C872 A873 Y874I866-F870 HydrophobicContact CG2-CD2 3.68Å; I866-F870 HydrophobicContact CG2-CE2 3.31Å; I866-F870 HydrophobicContact CG2-CZ 4.18Å; I866-F870 PolarHBondContact O-N 3.16Å; F867-F870 PolarHBondContact O-N 3.47Å; F870-C872 VanDerWaalsContact C-N 3.3Å; F870-C872 PolarHBondContact O-N 2.73Å; F870-A873 PolarHBondContact O-N 3.44Å; F870-Y874 WeakPolarHBondContact O-CB 3.44Å; F870-Y874 PolarHBondContact O-N 3.18Å
871M89.8Confident85.6Confident10 Ų1044.8 Ų44.85%0.04926%0.261CS..Hα-helixtrans-58.8-42.8174.8-62.2-74.9-90.700111.1I834 L849 L852 L853 F867 L875 L941I834-M871 HydrophobicContact CD1-CE 4.11Å; I834-M871 HydrophobicContact CG2-CE 3.87Å; L849-M871 HydrophobicContact CD1-CE 3.76Å; L849-M871 HydrophobicContact CD1-SD 3.44Å; L849-M871 WeakPolarHBondContact CD1-SD 3.28Å; L849-M871 HydrophobicContact CG-CE 3.71Å; L849-M871 HydrophobicContact CG-SD 4Å; L852-M871 HydrophobicContact CB-CE 4.32Å; L852-M871 HydrophobicContact CB-CG 4.48Å; L852-M871 HydrophobicContact CB-SD 3.4Å; L852-M871 WeakPolarHBondContact CB-SD 3.38Å; L852-M871 HydrophobicContact CD1-CG 4.45Å; L852-M871 HydrophobicContact CD1-SD 3.68Å; L852-M871 HydrophobicContact CG-SD 4.19Å; L853-M871 HydrophobicContact CB-CE 4.35Å; F867-M871 WeakPolarHBondContact O-CB 3.36Å; F867-M871 WeakPolarHBondContact O-CG 3.33Å; F867-M871 PolarHBondContact O-N 2.99Å; M871-L875 WeakPolarHBondContact O-CB 3.48Å; M871-L875 WeakPolarHBondContact O-CD1 3.31Å; M871-L875 VanDerWaalsContact O-CG 3.23Å; M871-L875 WeakPolarHBondContact O-CG 3.23Å; M871-L875 PolarHBondContact O-N 3Å; M871-L941 HydrophobicContact CB-CD1 4.31Å
872C89.2Confident86.1Confident7 Ų740.1 Ų40.15%0.04723%0.227CC..Hα-helixtrans-66.5-46.3178.3-1590000112.1S868 L869 F870 L875 F876 L941S868-C872 VanDerWaalsContact O-CB 3.31Å; S868-C872 WeakPolarHBondContact O-CB 3.32Å; S868-C872 PolarHBondContact O-N 2.73Å; L869-C872 PolarHBondContact O-N 3.1Å; F870-C872 VanDerWaalsContact C-N 3.3Å; F870-C872 PolarHBondContact O-N 2.73Å; C872-L875 PolarHBondContact O-N 2.68Å; C872-F876 WeakPolarHBondContact O-CD2 3.39Å; C872-F876 PolarHBondContact O-N 3.47Å; C872-F876 VanDerWaalsContact SG-CE2 3.5Å; C872-L941 HydrophobicContact CB-CD1 4Å
873A88.2Confident86.2Confident54 Ų5438.9 Ų38.945%0.44622%0.215SC..Hα-helixtrans-63.7-41.2178.800000112.4L869 F870 F876 L877L869-A873 WeakPolarHBondContact O-CB 3.45Å; L869-A873 PolarHBondContact O-N 2.68Å; F870-A873 PolarHBondContact O-N 3.44Å; A873-F876 PolarHBondContact O-N 3.43Å; A873-L877 PolarHBondContact O-N 3.34Å; A873-L877 VanDerWaalsContact O-N 3.09Å
874Y91.5Very high86.7Confident64 Ų6442.8 Ų42.825%0.25124%0.235SC..Hα-helixtrans-64.7-44176.1-170-101.4000111.7L845 L849 F870 F876 L877 V878L845-Y874 WeakPolarHBondContact O-CE1 3.31Å; L845-Y874 PolarHBondContact O-OH 3.19Å; L849-Y874 HydrophobicContact CD1-CD1 4.09Å; F870-Y874 WeakPolarHBondContact O-CB 3.44Å; F870-Y874 PolarHBondContact O-N 3.18Å; Y874-F876 VanDerWaalsContact C-N 3.33Å; Y874-F876 PolarHBondContact O-N 3.22Å; Y874-L877 PolarHBondContact O-N 3.22Å; Y874-L877 VanDerWaalsContact O-N 3.14Å; Y874-V878 HydrophobicContact CD1-CG2 4.02Å; Y874-V878 HydrophobicContact CE1-CG2 3.79Å; Y874-V878 WeakPolarHBondContact O-CG2 3.47Å; Y874-V878 PolarHBondContact O-N 2.79Å
875L90.5Very high87.3Confident0 Ų042 Ų420%023%0.229CC..Hα-helixtrans-62.4-35.5175.8-73.7168.1000113F837 L849 M871 C872 A879 V934 I938 L941F837-L875 HydrophobicContact CE1-CD2 4.05Å; L849-L875 HydrophobicContact CD1-CG 4.44Å; L849-L875 HydrophobicContact CD2-CD2 4.09Å; M871-L875 WeakPolarHBondContact O-CB 3.48Å; M871-L875 WeakPolarHBondContact O-CD1 3.31Å; M871-L875 VanDerWaalsContact O-CG 3.23Å; M871-L875 WeakPolarHBondContact O-CG 3.23Å; M871-L875 PolarHBondContact O-N 3Å; C872-L875 PolarHBondContact O-N 2.68Å; L875-A879 WeakPolarHBondContact O-CB 3.4Å; L875-A879 PolarHBondContact O-N 3.12Å; L875-V934 HydrophobicContact CB-CG1 4.14Å; L875-V934 HydrophobicContact CD2-CG1 4.14Å; L875-V934 WeakPolarHBondContact O-CG1 3.39Å; L875-I938 HydrophobicContact CB-CD1 4.3Å; L875-I938 HydrophobicContact CB-CG1 4.01Å; L875-L941 HydrophobicContact CD1-CD1 3.88Å
876F88.5Confident87.6Confident9 Ų941.3 Ų41.34%0.03921%0.214CC..Hα-helixtrans-66.2-40.4171.6-75-58.2000112.8W662 A663 L666 I667 C872 A873 Y874 A879 L880 I938W662-F876 HydrophobicContact CZ3-CE1 4.4Å; A663-F876 HydrophobicContact CB-CD1 3.63Å; A663-F876 HydrophobicContact CB-CE1 3.64Å; L666-F876 HydrophobicContact CB-CZ 3.92Å; L666-F876 HydrophobicContact CD1-CZ 4.48Å; I667-F876 HydrophobicContact CD1-CD2 3.83Å; I667-F876 HydrophobicContact CD1-CE2 4.08Å; I667-F876 HydrophobicContact CD1-CG 4.27Å; I667-F876 HydrophobicContact CG1-CD2 3.67Å; I667-F876 HydrophobicContact CG1-CE2 3.43Å; I667-F876 VanDerWaalsContact CG1-CE2 3.43Å; I667-F876 HydrophobicContact CG1-CZ 4.08Å; C872-F876 WeakPolarHBondContact O-CD2 3.39Å; C872-F876 PolarHBondContact O-N 3.47Å; C872-F876 VanDerWaalsContact SG-CE2 3.5Å; A873-F876 PolarHBondContact O-N 3.43Å; Y874-F876 VanDerWaalsContact C-N 3.33Å; Y874-F876 PolarHBondContact O-N 3.22Å; F876-A879 PolarHBondContact O-N 2.91Å; F876-L880 WeakPolarHBondContact O-CG 3.36Å; F876-L880 PolarHBondContact O-N 2.97Å; F876-I938 HydrophobicContact CD1-CD1 3.69Å; F876-I938 HydrophobicContact CD1-CG1 4.39Å; F876-I938 HydrophobicContact CE1-CD1 3.75Å; F876-I938 HydrophobicContact CE1-CG1 4.18Å; F876-I938 HydrophobicContact CE1-CG2 3.65Å; F876-I938 HydrophobicContact CE2-CG2 4.41Å; F876-I938 HydrophobicContact CG-CD1 4.36Å; F876-I938 HydrophobicContact CZ-CD1 4.44Å; F876-I938 HydrophobicContact CZ-CG1 4.4Å; F876-I938 HydrophobicContact CZ-CG2 3.52Å
877L89Confident87.3Confident115 Ų11536.9 Ų36.960%0.60219%0.191SC*.Hα-helixtrans-64.4-45177.2-161.7161.9000110.5A873 Y874 A879 L880 S881A873-L877 PolarHBondContact O-N 3.34Å; A873-L877 VanDerWaalsContact O-N 3.09Å; Y874-L877 PolarHBondContact O-N 3.22Å; Y874-L877 VanDerWaalsContact O-N 3.14Å; L877-A879 PolarHBondContact O-N 3.48Å; L877-L880 PolarHBondContact O-N 2.99Å; L877-S881 PolarHBondContact O-N 3.23Å; L877-S881 PolarHBondContact O-OG 3.27Å
878V88.9Confident86.7Confident1 Ų141.2 Ų41.21%0.00622%0.216CC..Hα-helixtrans-57.3-44.3172.7167.50000112L845 Y846 Y874 S881 K882 V934L845-V878 HydrophobicContact CD1-CG2 4.13Å; L845-V878 HydrophobicContact CD2-CB 4.45Å; L845-V878 HydrophobicContact CD2-CG1 3.84Å; L845-V878 HydrophobicContact CD2-CG2 3.97Å; L845-V878 HydrophobicContact CG-CG2 3.95Å; Y846-V878 HydrophobicContact CE1-CG1 4.27Å; Y874-V878 HydrophobicContact CD1-CG2 4.02Å; Y874-V878 HydrophobicContact CE1-CG2 3.79Å; Y874-V878 WeakPolarHBondContact O-CG2 3.47Å; Y874-V878 PolarHBondContact O-N 2.79Å; V878-S881 WeakPolarHBondContact CA-OG 3.5Å; V878-S881 PolarHBondContact O-OG 2.82Å; V878-K882 WeakPolarHBondContact O-CB 3.46Å; V878-K882 WeakPolarHBondContact O-CG 3.27Å; V878-K882 PolarHBondContact O-N 3.48Å; V878-V934 HydrophobicContact CG1-CG2 4.5Å
879A87Confident86.2Confident0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-62.8-45.6177.900000112.1F659 L875 F876 L877 K882 M883 L931 V934F659-A879 HydrophobicContact CE1-CB 3.96Å; F659-A879 HydrophobicContact CZ-CB 4.03Å; L875-A879 WeakPolarHBondContact O-CB 3.4Å; L875-A879 PolarHBondContact O-N 3.12Å; F876-A879 PolarHBondContact O-N 2.91Å; L877-A879 PolarHBondContact O-N 3.48Å; A879-K882 PolarHBondContact O-N 2.69Å; A879-M883 PolarHBondContact O-N 3.27Å; A879-L931 HydrophobicContact CB-CD2 4.1Å; A879-V934 HydrophobicContact CB-CG1 4.01Å
880L87.2Confident85.7Confident55 Ų5542.3 Ų42.329%0.28822%0.222SC..Hα-helixtrans-67-42.3178.7-72.3170.2000112.1F659 F876 L877 K882 M883 I884F659-L880 HydrophobicContact CD1-CD2 4.01Å; F659-L880 HydrophobicContact CE1-CD2 4.37Å; F876-L880 WeakPolarHBondContact O-CG 3.36Å; F876-L880 PolarHBondContact O-N 2.97Å; L877-L880 PolarHBondContact O-N 2.99Å; L880-K882 VanDerWaalsContact C-N 3.28Å; L880-K882 PolarHBondContact O-N 3.38Å; L880-M883 PolarHBondContact O-N 3.05Å; L880-I884 WeakPolarHBondContact O-CB 3.32Å; L880-I884 WeakPolarHBondContact O-CD1 3Å; L880-I884 VanDerWaalsContact O-CG1 3.27Å; L880-I884 WeakPolarHBondContact O-CG1 3.3Å; L880-I884 PolarHBondContact O-N 2.73Å
881S87.3Confident84.8Confident39 Ų3941.3 Ų41.327%0.27323%0.227SC..Hα-helixtrans-62.2-38.2175.962.40000111.8L877 V878 Y885L877-S881 PolarHBondContact O-N 3.23Å; L877-S881 PolarHBondContact O-OG 3.27Å; V878-S881 WeakPolarHBondContact CA-OG 3.5Å; V878-S881 PolarHBondContact O-OG 2.82Å; S881-Y885 PolarHBondContact O-N 3.09Å; S881-Y885 VanDerWaalsContact O-N 3.17Å
882K87.4Confident83.7Confident17 Ų1744.6 Ų44.67%0.07424%0.242CC..Hα-helixtrans-65.9-42.1174.6-81.2-169.8166.1-163.30112.8V878 A879 L880 Q886 G917 L918 M930 L931V878-K882 WeakPolarHBondContact O-CB 3.46Å; V878-K882 WeakPolarHBondContact O-CG 3.27Å; V878-K882 PolarHBondContact O-N 3.48Å; A879-K882 PolarHBondContact O-N 2.69Å; L880-K882 VanDerWaalsContact C-N 3.28Å; L880-K882 PolarHBondContact O-N 3.38Å; K882-Q886 WeakPolarHBondContact O-CG 2.97Å; K882-G917 WeakPolarHBondContact CE-O 3.47Å; K882-L918 HydrophobicContact CG-CD2 4.13Å; K882-M930 HydrophobicContact CB-CE 3.94Å; K882-M930 HydrophobicContact CB-SD 3.88Å; K882-M930 HydrophobicContact CD-CE 3.85Å; K882-M930 HydrophobicContact CD-CG 4.47Å; K882-M930 HydrophobicContact CD-SD 4.17Å; K882-M930 HydrophobicContact CG-CE 3.84Å; K882-M930 HydrophobicContact CG-SD 4.31Å; K882-L931 HydrophobicContact CB-CD2 4.21Å
883M84.7Confident82.7Confident6 Ų648.1 Ų48.13%0.0326%0.26CS..Hα-helixtrans-67.7-39.4176.1-68.9-167.89900113.2F659 A879 L880 Y885 Q886 P927 L931F659-M883 HydrophobicContact CB-CE 4.43Å; F659-M883 HydrophobicContact CB-SD 3.91Å; F659-M883 HydrophobicContact CD1-SD 3.49Å; F659-M883 WeakPolarHBondContact CD1-SD 3.39Å; F659-M883 HydrophobicContact CD2-SD 3.95Å; F659-M883 HydrophobicContact CE1-SD 3.92Å; F659-M883 HydrophobicContact CE2-SD 4.35Å; F659-M883 HydrophobicContact CG-CE 4.38Å; F659-M883 HydrophobicContact CG-SD 3.5Å; F659-M883 WeakPolarHBondContact CG-SD 3.45Å; F659-M883 HydrophobicContact CZ-SD 4.33Å; A879-M883 PolarHBondContact O-N 3.27Å; L880-M883 PolarHBondContact O-N 3.05Å; M883-Y885 VanDerWaalsContact C-N 3.3Å; M883-Y885 PolarHBondContact O-N 3.28Å; M883-Q886 PolarHBondContact O-N 3.45Å; M883-P927 HydrophobicContact CE-CB 4.35Å; M883-L931 HydrophobicContact CE-CD1 4.14Å; M883-L931 HydrophobicContact CG-CD1 3.72Å; M883-L931 HydrophobicContact SD-CD1 3.83Å
884I86.7Confident81.5Confident89 Ų8947.9 Ų47.946%0.45626%0.255SS..Hα-helixtrans-65.8-34.1179.7-68.8164.9000111.2L880 Q886 L887L880-I884 WeakPolarHBondContact O-CB 3.32Å; L880-I884 WeakPolarHBondContact O-CD1 3Å; L880-I884 VanDerWaalsContact O-CG1 3.27Å; L880-I884 WeakPolarHBondContact O-CG1 3.3Å; L880-I884 PolarHBondContact O-N 2.73Å; I884-Q886 PolarHBondContact O-N 3.44Å; I884-L887 PolarHBondContact O-N 2.79Å
885Y85.8Confident80.2Confident25 Ų2551.9 Ų51.910%0.09828%0.276CS..Hα-helixtrans-68.3-19.8177.4-163.4-104.8000114S881 M883 L887 V890 L893 L918 K920S881-Y885 PolarHBondContact O-N 3.09Å; S881-Y885 VanDerWaalsContact O-N 3.17Å; M883-Y885 VanDerWaalsContact C-N 3.3Å; M883-Y885 PolarHBondContact O-N 3.28Å; Y885-L887 VanDerWaalsContact C-N 3.33Å; Y885-V890 HydrophobicContact CD2-CG1 4Å; Y885-V890 HydrophobicContact CE2-CG1 4.03Å; Y885-L893 HydrophobicContact CE2-CD1 3.88Å; Y885-L918 HydrophobicContact CD1-CB 4.31Å; Y885-L918 HydrophobicContact CE1-CB 4.36Å; Y885-L918 HydrophobicContact CG-CB 4.43Å; Y885-K920 HydrophobicContact CD1-CB 4.46Å; Y885-K920 HydrophobicContact CE1-CB 4.09Å
886Q83.8Confident78.8Confident28 Ų2857.3 Ų57.313%0.13130%0.304CS..THydrogen-bonded Turntrans-86.33.6176.6-56.4-63.5-0.700113.6P651 K882 M883 I884 K919 E921 M930P651-Q886 HydrophobicContact CG-CB 3.87Å; K882-Q886 WeakPolarHBondContact O-CG 2.97Å; M883-Q886 PolarHBondContact O-N 3.45Å; I884-Q886 PolarHBondContact O-N 3.44Å; Q886-K919 PolarHBondContact NE2-O 2.89Å; Q886-E921 VanDerWaalsContact OE1-N 3.12Å; Q886-M930 HydrophobicContact CG-SD 4.29Å; Q886-M930 PolarHBondContact NE2-SD 2.89Å; Q886-M930 VanDerWaalsContact NE2-SD 3.36Å
887L79.7Confident77.1Confident15 Ų1564.4 Ų64.48%0.07934%0.343CS..SBendtrans-70.4137.5171.7-76.9163.7000110.5P651 F653 I656 I884 Y885 I889 V890 K920P651-L887 WeakPolarHBondContact O-CD2 3.33Å; F653-L887 HydrophobicContact CZ-CD1 4.48Å; I656-L887 HydrophobicContact CD1-CD1 4.02Å; I656-L887 HydrophobicContact CD1-CD2 4.03Å; I656-L887 HydrophobicContact CD1-CG 4.03Å; I884-L887 PolarHBondContact O-N 2.79Å; Y885-L887 VanDerWaalsContact C-N 3.33Å; L887-I889 HydrophobicContact CB-CG2 4.19Å; L887-I889 PolarHBondContact O-N 2.88Å; L887-I889 VanDerWaalsContact O-N 3.15Å; L887-V890 HydrophobicContact CB-CG2 4.32Å; L887-V890 PolarHBondContact O-N 2.88Å; L887-K920 PolarHBondContact O-NZ 3.07Å
888D75Confident75.4Confident129 Ų12964.3 Ų64.369%0.6933%0.334SS*.THydrogen-bonded Turntrans-58.2-31.2178.6-58.4-34.6000112.5V890D888-V890 PolarHBondContact O-N 3.32Å; D888-V890 VanDerWaalsContact O-N 3.13Å
889I75.5Confident73.8Confident76 Ų7667 Ų6739%0.3936%0.362SS..THydrogen-bonded Turntrans-66.5-10.4178.9-140.4166.4000114.2W720 L887W720-I889 HydrophobicContact CD2-CD1 3.83Å; W720-I889 VanDerWaalsContact CE2-CD1 3.42Å; W720-I889 HydrophobicContact CE3-CD1 4.19Å; W720-I889 HydrophobicContact CG-CD1 4.44Å; W720-I889 HydrophobicContact CH2-CD1 3.87Å; W720-I889 HydrophobicContact CZ2-CD1 3.46Å; W720-I889 VanDerWaalsContact CZ2-CD1 3.46Å; W720-I889 HydrophobicContact CZ3-CD1 4.21Å; L887-I889 HydrophobicContact CB-CG2 4.19Å; L887-I889 PolarHBondContact O-N 2.88Å; L887-I889 VanDerWaalsContact O-N 3.15Å
890V74.4Confident72.1Confident34 Ų3474.8 Ų74.821%0.20641%0.409CS..SBendtrans-95.7114.4173.7-176.40000108.8Y885 L887 D888 L893 K920Y885-V890 HydrophobicContact CD2-CG1 4Å; Y885-V890 HydrophobicContact CE2-CG1 4.03Å; L887-V890 HydrophobicContact CB-CG2 4.32Å; L887-V890 PolarHBondContact O-N 2.88Å; D888-V890 PolarHBondContact O-N 3.32Å; D888-V890 VanDerWaalsContact O-N 3.13Å; V890-L893 HydrophobicContact CG1-CD1 4.5Å; V890-K920 PolarHBondContact O-NZ 3.04Å
891P70.5Confident70.5Confident94 Ų9474.5 Ų74.561%0.6142%0.42SS*.  trans-66153.3177.629-35.3000111L893P891-L893 PolarHBondContact O-N 2.97Å; P891-L893 VanDerWaalsContact O-N 3.08Å
892E67Low68.9Low79 Ų7973.9 Ų73.937%0.36942%0.417SS..  trans-74.3100.1-179.6-133.8-155.9134.900110.3S894 Q895 K920E892-S894 WeakPolarHBondContact CG-OG 3.39Å; E892-S894 PolarHBondContact O-N 2.94Å; E892-S894 PolarHBondContact OE1-OG 3.48Å; E892-Q895 HydrophobicContact CB-CG 4.22Å; E892-Q895 PolarHBondContact O-N 2.99Å; E892-Q895 PolarHBondContact OE2-NE2 3.41Å; E892-K920 HydrophobicContact CG-CB 4.09Å; E892-K920 HydrophobicContact CG-CD 4.29Å
893L67.9Low67.5Low82 Ų8280.7 Ų80.743%0.42945%0.454SS..G310 helixtrans-64.8-11.4-177.8-76.7102.2000114.2Y885 V890 P891 Q895 I896 P913Y885-L893 HydrophobicContact CE2-CD1 3.88Å; V890-L893 HydrophobicContact CG1-CD1 4.5Å; P891-L893 PolarHBondContact O-N 2.97Å; P891-L893 VanDerWaalsContact O-N 3.08Å; L893-Q895 VanDerWaalsContact C-N 3.27Å; L893-I896 HydrophobicContact CB-CD1 4.26Å; L893-I896 HydrophobicContact CD2-CD1 4.17Å; L893-I896 HydrophobicContact CG-CD1 3.96Å; L893-P913 HydrophobicContact CB-CG 3.87Å
894S63.6Low66.2Low48 Ų4887.9 Ų87.934%0.33649%0.492SS..G310 helixtrans-64.8-24.7168.445.10000113.8E892E892-S894 WeakPolarHBondContact CG-OG 3.39Å; E892-S894 PolarHBondContact O-N 2.94Å; E892-S894 PolarHBondContact OE1-OG 3.48Å
895Q63.4Low65Low148 Ų14885.6 Ų85.669%0.69248%0.484SS*.G310 helixtrans-96.31.4-176.9-59.6-173.123.800113.7E892 L893 D897E892-Q895 HydrophobicContact CB-CG 4.22Å; E892-Q895 PolarHBondContact O-N 2.99Å; E892-Q895 PolarHBondContact OE2-NE2 3.41Å; L893-Q895 VanDerWaalsContact C-N 3.27Å; Q895-D897 PolarHBondContact O-N 2.69Å
896I60.8Low63.7Low114 Ų11489 Ų8959%0.58551%0.512SS*.SBendtrans-77.2124.4179.4-60.9176.4000108.8L893 R898L893-I896 HydrophobicContact CB-CD1 4.26Å; L893-I896 HydrophobicContact CD2-CD1 4.17Å; L893-I896 HydrophobicContact CG-CD1 3.96Å; I896-R898 PolarHBondContact O-N 2.86Å
897D53.5Low62.6Low159 Ų15990.7 Ų90.785%0.8552%0.519SS*.  trans-44.9122.8-167.2-108.3-29.4000114.4Q895 G899Q895-D897 PolarHBondContact O-N 2.69Å; D897-G899 PolarHBondContact O-N 2.97Å
898R54.3Low61.6Low113 Ų11391.7 Ų91.743%0.42653%0.533SS..  trans-67.1125.2166.6-70.4-179.7168.7141.93.7108.1I896 A902 N909 D1063I896-R898 PolarHBondContact O-N 2.86Å; R898-A902 HydrophobicContact CB-CB 3.67Å; R898-A902 HydrophobicContact CG-CB 4.49Å; R898-N909 PolarHBondContact NH1-OD1 3.44Å; R898-N909 PolarHBondContact NH2-O 3.08Å; R898-D1063 IonicContact CZ-OD1 2.89Å; R898-D1063 IonicContact NE-OD1 2.98Å; R898-D1063 PolarHBondContact NE-OD1 3.02Å; R898-D1063 IonicContact NH2-OD1 3.76Å; R898-D1063 PolarHBondContact NH2-OD1 3.26Å
899G54.6Low61Low57 Ų5792.1 Ų92.159%0.58854%0.535SS*.  trans-58.3159.5-174.900000114.3D897 G901 A902D897-G899 PolarHBondContact O-N 2.97Å; G899-G901 PolarHBondContact O-N 3.1Å; G899-A902 PolarHBondContact O-N 3.35Å; G899-A902 VanDerWaalsContact O-N 3.07Å
900V51Low60.6Low163 Ų16391.6 Ų91.699%0.98853%0.533SS*.THydrogen-bonded Turntrans-67.962.7-167.3-161.60000114.2
901G54.3Low60.4Low50 Ų5090.7 Ų90.752%0.51553%0.528SS..THydrogen-bonded Turntrans-171.2-10178.900000112.9G899 D903G899-G901 PolarHBondContact O-N 3.1Å; G901-D903 VanDerWaalsContact C-N 3.28Å; G901-D903 PolarHBondContact O-N 3.13Å
902A53.8Low60.7Low25 Ų2590.6 Ų90.621%0.20752%0.52CS..G310 helixtrans-66.9-21.2-179.400000114.8R898 G899 N904 C905R898-A902 HydrophobicContact CB-CB 3.67Å; R898-A902 HydrophobicContact CG-CB 4.49Å; G899-A902 PolarHBondContact O-N 3.35Å; G899-A902 VanDerWaalsContact O-N 3.07Å; A902-N904 PolarHBondContact O-N 3.36Å; A902-C905 VanDerWaalsContact O-CB 3.26Å; A902-C905 WeakPolarHBondContact O-CB 3.4Å; A902-C905 PolarHBondContact O-N 2.97Å
903D56.7Low61.3Low161 Ų16188 Ų8886%0.86151%0.51SS*.G310 helixtrans-62.3-25.8-177.5-60.9-28.1000113.6G901 C905G901-D903 VanDerWaalsContact C-N 3.28Å; G901-D903 PolarHBondContact O-N 3.13Å; D903-C905 VanDerWaalsContact C-N 3.33Å
904N57.8Low61.7Low156 Ų15686.9 Ų86.983%0.83450%0.503SS*.G310 helixtrans-83.7-6174.1-78.8-18.4000113.2A902 S906A902-N904 PolarHBondContact O-N 3.36Å; N904-S906 PolarHBondContact O-N 3.2Å
905C61.4Low62.6Low41 Ų4187.4 Ų87.428%0.27750%0.497SS..  trans-89.681.4-175.5-50.50000110.7A902 D903 H907 C1065A902-C905 VanDerWaalsContact O-CB 3.26Å; A902-C905 WeakPolarHBondContact O-CB 3.4Å; A902-C905 PolarHBondContact O-N 2.97Å; D903-C905 VanDerWaalsContact C-N 3.33Å; C905-H907 PolarHBondContact O-N 3.34Å; C905-C1065 HydrophobicContact CB-CB 4.11Å; C905-C1065 WeakPolarHBondContact CB-SG 3.35Å; C905-C1065 WeakPolarHBondContact SG-CB 3.48Å; C905-C1065 CovalentContact SG-SG 2.04Å; C905-C1065 PolarHBondContact SG-SG 3.04Å
906S59.4Low63.6Low98 Ų9884.2 Ų84.269%0.68548%0.482SS*.  trans-61.6-4.5177.855.10000115.4N904 G908N904-S906 PolarHBondContact O-N 3.2Å; S906-G908 VanDerWaalsContact C-N 3.35Å; S906-G908 PolarHBondContact O-N 2.96Å; S906-G908 VanDerWaalsContact O-N 3.13Å
907H60.1Low64.5Low63 Ų6379 Ų7929%0.29246%0.456SS..SBendtrans-94.149.8-159.5-59.7-47.5000114.1C905 E1067 Y1094C905-H907 PolarHBondContact O-N 3.34Å; H907-E1067 IonicContact CD2-OE1 3.81Å; H907-E1067 IonicContact CE1-OE1 3.24Å; H907-E1067 IonicContact NE2-OE1 3.54Å; H907-E1067 PolarHBondContact NE2-OE1 3.46Å; H907-Y1094 HydrophobicContact CB-CD2 3.91Å; H907-Y1094 HydrophobicContact CB-CG 3.97Å; H907-Y1094 WeakPolarHBondContact O-CB 3.45Å
908G58.4Low65.9Low35 Ų3573.1 Ų73.136%0.36142%0.424SS..  trans95.7150.9166.100000116S906S906-G908 VanDerWaalsContact C-N 3.35Å; S906-G908 PolarHBondContact O-N 2.96Å; S906-G908 VanDerWaalsContact O-N 3.13Å
909N61.9Low67Low138 Ų13872.2 Ų72.274%0.73842%0.423SS*.  trans-91.5-3.4-171.9-92.5-30.7000115.7R898 S911R898-N909 PolarHBondContact NH1-OD1 3.44Å; R898-N909 PolarHBondContact NH2-O 3.08Å; N909-S911 PolarHBondContact O-N 2.93Å
910I66.9Low68Low66 Ų6671.8 Ų71.834%0.33841%0.405SS..  trans-63.9125.3-173.2-57.2172.3000110E914 W915 P1062I910-E914 HydrophobicContact CG2-CB 3.94Å; I910-E914 HydrophobicContact CG2-CG 4.01Å; I910-W915 HydrophobicContact CG2-CB 4.34Å; I910-P1062 HydrophobicContact CB-CG 4.13Å; I910-P1062 WeakPolarHBondContact O-CG 3.47Å
911S70.8Confident69Low15 Ų1567.8 Ų67.811%0.10538%0.376CS..  trans-82.6157.8178.764.50000112.5N909 E914 W915 D1063N909-S911 PolarHBondContact O-N 2.93Å; S911-E914 WeakPolarHBondContact O-CA 3.49Å; S911-E914 WeakPolarHBondContact O-CB 3.49Å; S911-E914 PolarHBondContact O-N 3.38Å; S911-W915 PolarHBondContact O-N 2.9Å; S911-D1063 WeakPolarHBondContact CA-OD2 3.45Å
912M77.4Confident69.5Low92 Ų9271 Ų7145%0.45339%0.385SS..Hα-helixtrans-54.4-42.9179-164.1-76.9171.400113.7E914 W915 F916 D1063M912-E914 VanDerWaalsContact C-N 3.29Å; M912-E914 PolarHBondContact O-N 3.41Å; M912-W915 HydrophobicContact CE-CE3 4.27Å; M912-W915 HydrophobicContact CE-CZ3 4.21Å; M912-W915 PolarHBondContact O-N 2.9Å; M912-F916 WeakPolarHBondContact O-CB 3.4Å; M912-F916 PolarHBondContact O-N 3.26Å; M912-D1063 PolarHBondContact N-OD2 2.95Å
913P78.7Confident69.7Low24 Ų2479 Ų7916%0.15642%0.418CS..Hα-helixtrans-58.2-38.4171.8-24.535.1000113.3L893 F916 G917 L918L893-P913 HydrophobicContact CB-CG 3.87Å; P913-F916 PolarHBondContact O-N 2.76Å; P913-G917 PolarHBondContact O-N 3.35Å; P913-L918 CarbonylContact C-O 3.58Å; P913-L918 VanDerWaalsContact C-O 3.28Å; P913-L918 WeakPolarHBondContact CB-O 3.29Å; P913-L918 PolarHBondContact O-N 3.39Å
914E77.2Confident69.8Low58 Ų5875.3 Ų75.327%0.27142%0.418SS..Hα-helixtrans-72.8-41.5-179.2-169.9169.9-143.700112.2N843 I910 S911 M912 F916 G917 K919N843-E914 PolarHBondContact ND2-O 3.43Å; I910-E914 HydrophobicContact CG2-CB 3.94Å; I910-E914 HydrophobicContact CG2-CG 4.01Å; S911-E914 WeakPolarHBondContact O-CA 3.49Å; S911-E914 WeakPolarHBondContact O-CB 3.49Å; S911-E914 PolarHBondContact O-N 3.38Å; M912-E914 VanDerWaalsContact C-N 3.29Å; M912-E914 PolarHBondContact O-N 3.41Å; E914-F916 VanDerWaalsContact C-N 3.28Å; E914-F916 PolarHBondContact O-N 3.21Å; E914-G917 WeakPolarHBondContact O-CA 3.12Å; E914-G917 PolarHBondContact O-N 2.92Å; E914-G917 VanDerWaalsContact O-N 3.11Å; E914-K919 WeakPolarHBondContact OE1-CD 3.46Å; E914-K919 WeakPolarHBondContact OE1-CE 3.29Å; E914-K919 IonicContact OE1-NZ 2.65Å; E914-K919 PolarHBondContact OE1-NZ 3.49Å
915W81.7Confident70Confident59 Ų5971.5 Ų71.522%0.22340%0.4CS..Hα-helixtrans-58.1-40.3169.7176.184.9000111.7A844 I910 S911 M912 V1058 P1061A844-W915 HydrophobicContact CB-CD2 4.39Å; A844-W915 HydrophobicContact CB-CE3 4.11Å; A844-W915 HydrophobicContact CB-CH2 3.82Å; A844-W915 HydrophobicContact CB-CZ2 4.09Å; A844-W915 HydrophobicContact CB-CZ3 3.82Å; A844-W915 PolarHBondContact N-O 2.63Å; I910-W915 HydrophobicContact CG2-CB 4.34Å; S911-W915 PolarHBondContact O-N 2.9Å; M912-W915 HydrophobicContact CE-CE3 4.27Å; M912-W915 HydrophobicContact CE-CZ3 4.21Å; M912-W915 PolarHBondContact O-N 2.9Å; W915-V1058 HydrophobicContact CZ2-CG1 3.99Å; W915-V1058 PolarHBondContact NE1-O 2.88Å; W915-P1061 HydrophobicContact CD2-CB 4.04Å; W915-P1061 HydrophobicContact CE3-CB 4.28Å; W915-P1061 HydrophobicContact CG-CB 4.37Å
916F85.1Confident70.3Confident82 Ų8273.5 Ų73.536%0.3641%0.406SS..Hα-helixtrans-66.9-41.8174-165.5-106.9000111.7A844 L845 M912 P913 E914 L918A844-F916 HydrophobicContact CB-CD2 4.33Å; L845-F916 WeakPolarHBondContact CB-O 3.49Å; L845-F916 HydrophobicContact CD1-CE1 3.91Å; L845-F916 HydrophobicContact CD1-CZ 4.11Å; L845-F916 PolarHBondContact N-O 3.06Å; M912-F916 WeakPolarHBondContact O-CB 3.4Å; M912-F916 PolarHBondContact O-N 3.26Å; P913-F916 PolarHBondContact O-N 2.76Å; E914-F916 VanDerWaalsContact C-N 3.28Å; E914-F916 PolarHBondContact O-N 3.21Å; F916-L918 HydrophobicContact CD1-CD1 4.13Å; F916-L918 HydrophobicContact CD1-CG 4.24Å
917G80.1Confident71Confident4 Ų469.8 Ų69.84%0.04138%0.38CS..THydrogen-bonded Turntrans121.219.9176.200000115.3N843 K882 P913 E914N843-G917 WeakPolarHBondContact ND2-CA 3.4Å; K882-G917 WeakPolarHBondContact CE-O 3.47Å; P913-G917 PolarHBondContact O-N 3.35Å; E914-G917 WeakPolarHBondContact O-CA 3.12Å; E914-G917 PolarHBondContact O-N 2.92Å; E914-G917 VanDerWaalsContact O-N 3.11Å
918L82.1Confident71.8Confident35 Ų3569.3 Ų69.318%0.18338%0.379CS..  trans-109.4108.7174.5-62.7174.6000109.4K882 Y885 P913 F916K882-L918 HydrophobicContact CG-CD2 4.13Å; Y885-L918 HydrophobicContact CD1-CB 4.31Å; Y885-L918 HydrophobicContact CE1-CB 4.36Å; Y885-L918 HydrophobicContact CG-CB 4.43Å; P913-L918 CarbonylContact C-O 3.58Å; P913-L918 VanDerWaalsContact C-O 3.28Å; P913-L918 WeakPolarHBondContact CB-O 3.29Å; P913-L918 PolarHBondContact O-N 3.39Å; F916-L918 HydrophobicContact CD1-CD1 4.13Å; F916-L918 HydrophobicContact CD1-CG 4.24Å
919K77Confident72.9Confident94 Ų9476 Ų7641%0.40939%0.394SS..  trans-123.4134.7178.6-177.2168.2-170.8151.70108.9Q886 E914 M930Q886-K919 PolarHBondContact NE2-O 2.89Å; E914-K919 WeakPolarHBondContact OE1-CD 3.46Å; E914-K919 WeakPolarHBondContact OE1-CE 3.29Å; E914-K919 IonicContact OE1-NZ 2.65Å; E914-K919 PolarHBondContact OE1-NZ 3.49Å; K919-M930 WeakPolarHBondContact O-CE 3.35Å
920K77.1Confident73.7Confident48 Ų4871.1 Ų71.121%0.20937%0.367CS..PPolyproline II helixtrans-82.2126.1168.3-148.1172.7-168.6176.20106.1Y885 L887 V890 E892Y885-K920 HydrophobicContact CD1-CB 4.46Å; Y885-K920 HydrophobicContact CE1-CB 4.09Å; L887-K920 PolarHBondContact O-NZ 3.07Å; V890-K920 PolarHBondContact O-NZ 3.04Å; E892-K920 HydrophobicContact CG-CB 4.09Å; E892-K920 HydrophobicContact CG-CD 4.29Å
921E71.2Confident74.5Confident80 Ų8068 Ų6837%0.37435%0.352SS..PPolyproline II helixtrans-87.3156.3-177.8-67.7-70.2176.900110.3Q886 T925Q886-E921 VanDerWaalsContact OE1-N 3.12Å; E921-T925 VanDerWaalsContact CB-OG1 3.23Å; E921-T925 WeakPolarHBondContact CB-OG1 3.34Å
922V65.3Low75.2Confident118 Ų11873.7 Ų73.772%0.71538%0.375SS*.PPolyproline II helixtrans-66.1143.4-179.4-175.80000110.3G924 T925V922-G924 PolarHBondContact O-N 3.37Å; V922-T925 PolarHBondContact O-N 2.95Å; V922-T925 PolarHBondContact O-OG1 3.38Å
923E57.8Low75.5Confident193 Ų19370.5 Ų70.590%0.90237%0.365SS*.THydrogen-bonded Turntrans-46.2122.6178.8-65.2-174.7149.900111.7
924G57.6Low75.9Confident83 Ų8369.4 Ų69.486%0.85636%0.358SS*.THydrogen-bonded Turntrans108.1-9.6177.100000116.3V922V922-G924 PolarHBondContact O-N 3.37Å
925T62.1Low76.4Confident75 Ų7567.3 Ų67.346%0.4635%0.348SS..  trans-77.3127.5172.858.80000112E921 V922E921-T925 VanDerWaalsContact CB-OG1 3.23Å; E921-T925 WeakPolarHBondContact CB-OG1 3.34Å; V922-T925 PolarHBondContact O-N 2.95Å; V922-T925 PolarHBondContact O-OG1 3.38Å
926E68.1Low76.7Confident83 Ų8367 Ų6739%0.38835%0.353SS..  trans-68.5134.3178.2-72.2-177-140.400111.8I928 Y929E926-I928 HydrophobicContact CB-CG2 3.79Å; E926-I928 PolarHBondContact O-N 3.27Å; E926-Y929 HydrophobicContact CB-CD2 4.02Å; E926-Y929 HydrophobicContact CB-CE2 4.06Å; E926-Y929 WeakPolarHBondContact O-CD2 3.02Å; E926-Y929 PolarHBondContact O-N 3.03Å; E926-Y929 VanDerWaalsContact O-N 3.11Å
927P73.9Confident76.9Confident21 Ų2163.1 Ų63.114%0.13634%0.336CS..Hα-helixtrans-53.3-22.2177.4-29.735.1000115.5T647 M883 Y929 M930 L931T647-P927 WeakPolarHBondContact O-CD 3.02Å; M883-P927 HydrophobicContact CE-CB 4.35Å; P927-Y929 VanDerWaalsContact C-N 3.27Å; P927-Y929 PolarHBondContact O-N 2.99Å; P927-M930 PolarHBondContact O-N 3.25Å; P927-L931 WeakPolarHBondContact O-CG 3.44Å; P927-L931 PolarHBondContact O-N 2.94Å
928I78.1Confident77.3Confident53 Ų5363 Ų6327%0.27233%0.334SS..Hα-helixtrans-58-35.1177.5-162.5170.1000113.1E926 F932E926-I928 HydrophobicContact CB-CG2 3.79Å; E926-I928 PolarHBondContact O-N 3.27Å; I928-F932 WeakPolarHBondContact O-CA 3.36Å; I928-F932 WeakPolarHBondContact O-CB 3.48Å; I928-F932 PolarHBondContact O-N 3.49Å
929Y80Confident77.5Confident174 Ų17465.4 Ų65.468%0.68235%0.346SS*.Hα-helixtrans-70.8-47.7-179.1-65.9-76.7000111.5E926 P927 L931 F932E926-Y929 HydrophobicContact CB-CD2 4.02Å; E926-Y929 HydrophobicContact CB-CE2 4.06Å; E926-Y929 WeakPolarHBondContact O-CD2 3.02Å; E926-Y929 PolarHBondContact O-N 3.03Å; E926-Y929 VanDerWaalsContact O-N 3.11Å; P927-Y929 VanDerWaalsContact C-N 3.27Å; P927-Y929 PolarHBondContact O-N 2.99Å; Y929-L931 PolarHBondContact O-N 3.3Å; Y929-F932 PolarHBondContact O-N 3.44Å
930M79.5Confident78.1Confident37 Ų3761.6 Ų61.618%0.18233%0.332CS..Hα-helixtrans-59.3-31.3177.9-163.5-151.8-163.900112.7K882 Q886 K919 P927K882-M930 HydrophobicContact CB-CE 3.94Å; K882-M930 HydrophobicContact CB-SD 3.88Å; K882-M930 HydrophobicContact CD-CE 3.85Å; K882-M930 HydrophobicContact CD-CG 4.47Å; K882-M930 HydrophobicContact CD-SD 4.17Å; K882-M930 HydrophobicContact CG-CE 3.84Å; K882-M930 HydrophobicContact CG-SD 4.31Å; Q886-M930 HydrophobicContact CG-SD 4.29Å; Q886-M930 PolarHBondContact NE2-SD 2.89Å; Q886-M930 VanDerWaalsContact NE2-SD 3.36Å; K919-M930 WeakPolarHBondContact O-CE 3.35Å; P927-M930 PolarHBondContact O-N 3.25Å
931L83.7Confident78.6Confident1 Ų159.4 Ų59.41%0.00532%0.323CS..Hα-helixtrans-99.3-8.6-176.5-63.7174.7000114.4F659 A879 K882 M883 P927 Y929 G933 V934 I935F659-L931 HydrophobicContact CE2-CD1 4.31Å; F659-L931 HydrophobicContact CZ-CD1 4.32Å; A879-L931 HydrophobicContact CB-CD2 4.1Å; K882-L931 HydrophobicContact CB-CD2 4.21Å; M883-L931 HydrophobicContact CE-CD1 4.14Å; M883-L931 HydrophobicContact CG-CD1 3.72Å; M883-L931 HydrophobicContact SD-CD1 3.83Å; P927-L931 WeakPolarHBondContact O-CG 3.44Å; P927-L931 PolarHBondContact O-N 2.94Å; Y929-L931 PolarHBondContact O-N 3.3Å; L931-G933 PolarHBondContact O-N 2.97Å; L931-V934 WeakPolarHBondContact O-CA 3.49Å; L931-V934 WeakPolarHBondContact O-CB 3.38Å; L931-V934 PolarHBondContact O-N 3.48Å; L931-I935 HydrophobicContact CB-CD1 3.66Å; L931-I935 HydrophobicContact CB-CG1 4.13Å; L931-I935 WeakPolarHBondContact O-CG1 3.44Å; L931-I935 PolarHBondContact O-N 2.98Å
932F85.7Confident79.2Confident134 Ų13456 Ų5659%0.58831%0.308SS*.Hα-helixtrans-53.2-52.6-167-177.6-102.9000113.8I928 Y929 V934 I935 V936I928-F932 WeakPolarHBondContact O-CA 3.36Å; I928-F932 WeakPolarHBondContact O-CB 3.48Å; I928-F932 PolarHBondContact O-N 3.49Å; Y929-F932 PolarHBondContact O-N 3.44Å; F932-V934 VanDerWaalsContact C-N 3.28Å; F932-V934 PolarHBondContact O-N 3.45Å; F932-I935 PolarHBondContact O-N 3.37Å; F932-V936 HydrophobicContact CD1-CG2 4.34Å; F932-V936 HydrophobicContact CD2-CG2 4.48Å; F932-V936 HydrophobicContact CE1-CG2 3.98Å; F932-V936 HydrophobicContact CE2-CG2 4.13Å; F932-V936 HydrophobicContact CZ-CG2 3.86Å; F932-V936 WeakPolarHBondContact O-CG2 3.49Å; F932-V936 PolarHBondContact O-N 3.19Å
933G83.6Confident80.3Confident24 Ų2453.6 Ų53.625%0.24729%0.289CS..Hα-helixtrans-64.2-30.7179.800000113.9L931 S937L931-G933 PolarHBondContact O-N 2.97Å; G933-S937 WeakPolarHBondContact O-CB 3.32Å; G933-S937 PolarHBondContact O-N 3.05Å; G933-S937 PolarHBondContact O-OG 2.86Å
934V87.7Confident81.7Confident2 Ų244.6 Ų44.61%0.01225%0.247CC..Hα-helixtrans-72.9-45.9176-177.60000110.2F837 L875 V878 A879 L931 F932 S937 I938F837-V934 HydrophobicContact CE1-CG2 4.39Å; F837-V934 HydrophobicContact CE2-CG2 4.13Å; F837-V934 HydrophobicContact CZ-CG2 3.58Å; L875-V934 HydrophobicContact CB-CG1 4.14Å; L875-V934 HydrophobicContact CD2-CG1 4.14Å; L875-V934 WeakPolarHBondContact O-CG1 3.39Å; V878-V934 HydrophobicContact CG1-CG2 4.5Å; A879-V934 HydrophobicContact CB-CG1 4.01Å; L931-V934 WeakPolarHBondContact O-CA 3.49Å; L931-V934 WeakPolarHBondContact O-CB 3.38Å; L931-V934 PolarHBondContact O-N 3.48Å; F932-V934 VanDerWaalsContact C-N 3.28Å; F932-V934 PolarHBondContact O-N 3.45Å; V934-S937 PolarHBondContact O-N 3.4Å; V934-I938 HydrophobicContact CG1-CD1 3.84Å; V934-I938 WeakPolarHBondContact O-CB 3.28Å; V934-I938 WeakPolarHBondContact O-CD1 3.46Å; V934-I938 VanDerWaalsContact O-CG1 3.31Å; V934-I938 WeakPolarHBondContact O-CG1 3.45Å; V934-I938 PolarHBondContact O-N 3.29Å
935I87.4Confident83Confident13 Ų1341.2 Ų41.27%0.06721%0.21CC..Hα-helixtrans-60.4-46175.7-68.9166.9000110.8L643 W662 L931 F932 S937 I938 I939L643-I935 HydrophobicContact CD1-CD1 4.43Å; L643-I935 HydrophobicContact CD2-CG2 4.3Å; W662-I935 HydrophobicContact CH2-CG2 4.22Å; L931-I935 HydrophobicContact CB-CD1 3.66Å; L931-I935 HydrophobicContact CB-CG1 4.13Å; L931-I935 WeakPolarHBondContact O-CG1 3.44Å; L931-I935 PolarHBondContact O-N 2.98Å; F932-I935 PolarHBondContact O-N 3.37Å; I935-S937 PolarHBondContact O-N 3.42Å; I935-I938 PolarHBondContact O-N 2.95Å; I935-I939 HydrophobicContact CG2-CD1 3.75Å; I935-I939 HydrophobicContact CG2-CG1 4.49Å; I935-I939 WeakPolarHBondContact O-CB 3.44Å; I935-I939 VanDerWaalsContact O-CG1 3.29Å; I935-I939 WeakPolarHBondContact O-CG1 3.47Å; I935-I939 PolarHBondContact O-N 2.87Å
936V88.2Confident84.1Confident53 Ų5340.3 Ų40.332%0.32120%0.202SC..Hα-helixtrans-61-43.4176.1169.70000111.3I833 F932 I939 A940I833-V936 HydrophobicContact CG2-CG1 4.22Å; F932-V936 HydrophobicContact CD1-CG2 4.34Å; F932-V936 HydrophobicContact CD2-CG2 4.48Å; F932-V936 HydrophobicContact CE1-CG2 3.98Å; F932-V936 HydrophobicContact CE2-CG2 4.13Å; F932-V936 HydrophobicContact CZ-CG2 3.86Å; F932-V936 WeakPolarHBondContact O-CG2 3.49Å; F932-V936 PolarHBondContact O-N 3.19Å; V936-I939 PolarHBondContact O-N 3.3Å; V936-A940 WeakPolarHBondContact O-CB 3.49Å; V936-A940 PolarHBondContact O-N 3.11Å
937S88.5Confident84.9Confident0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-64-41.7177.4-62.20000112.4G933 V934 I935 A940 L941G933-S937 WeakPolarHBondContact O-CB 3.32Å; G933-S937 PolarHBondContact O-N 3.05Å; G933-S937 PolarHBondContact O-OG 2.86Å; V934-S937 PolarHBondContact O-N 3.4Å; I935-S937 PolarHBondContact O-N 3.42Å; S937-A940 PolarHBondContact O-N 3.05Å; S937-L941 WeakPolarHBondContact O-CB 3.29Å; S937-L941 WeakPolarHBondContact O-CG 3.32Å; S937-L941 PolarHBondContact O-N 2.79Å
938I88Confident85.3Confident1 Ų137.2 Ų37.21%0.00519%0.186CC..Hα-helixtrans-62.2-44.9174-73160.5000111.2W662 L666 L875 F876 V934 I935 L941 A942W662-I938 HydrophobicContact CH2-CG2 4.3Å; L666-I938 HydrophobicContact CD1-CG2 3.82Å; L875-I938 HydrophobicContact CB-CD1 4.3Å; L875-I938 HydrophobicContact CB-CG1 4.01Å; F876-I938 HydrophobicContact CD1-CD1 3.69Å; F876-I938 HydrophobicContact CD1-CG1 4.39Å; F876-I938 HydrophobicContact CE1-CD1 3.75Å; F876-I938 HydrophobicContact CE1-CG1 4.18Å; F876-I938 HydrophobicContact CE1-CG2 3.65Å; F876-I938 HydrophobicContact CE2-CG2 4.41Å; F876-I938 HydrophobicContact CG-CD1 4.36Å; F876-I938 HydrophobicContact CZ-CD1 4.44Å; F876-I938 HydrophobicContact CZ-CG1 4.4Å; F876-I938 HydrophobicContact CZ-CG2 3.52Å; V934-I938 HydrophobicContact CG1-CD1 3.84Å; V934-I938 WeakPolarHBondContact O-CB 3.28Å; V934-I938 WeakPolarHBondContact O-CD1 3.46Å; V934-I938 VanDerWaalsContact O-CG1 3.31Å; V934-I938 WeakPolarHBondContact O-CG1 3.45Å; V934-I938 PolarHBondContact O-N 3.29Å; I935-I938 PolarHBondContact O-N 2.95Å; I938-L941 PolarHBondContact O-N 3.1Å; I938-A942 WeakPolarHBondContact O-CB 3.09Å; I938-A942 PolarHBondContact O-N 2.95Å
939I87.5Confident85.4Confident86 Ų8639.2 Ų39.244%0.44119%0.191SC..Hα-helixtrans-65.4-40.8178.1-70168.8000111I935 V936 A942 F943I935-I939 HydrophobicContact CG2-CD1 3.75Å; I935-I939 HydrophobicContact CG2-CG1 4.49Å; I935-I939 WeakPolarHBondContact O-CB 3.44Å; I935-I939 VanDerWaalsContact O-CG1 3.29Å; I935-I939 WeakPolarHBondContact O-CG1 3.47Å; I935-I939 PolarHBondContact O-N 2.87Å; V936-I939 PolarHBondContact O-N 3.3Å; I939-A942 PolarHBondContact O-N 2.9Å; I939-F943 WeakPolarHBondContact O-CB 3.31Å; I939-F943 PolarHBondContact O-N 3.02Å
940A88.5Confident85.6Confident14 Ų1434.3 Ų34.312%0.11617%0.171CC..Hα-helixtrans-62.5-44.3175.900000111.8V830 I833 V936 S937 F943 Q944V830-A940 HydrophobicContact CG2-CB 4.28Å; I833-A940 HydrophobicContact CD1-CB 3.87Å; I833-A940 HydrophobicContact CG2-CB 4.46Å; V936-A940 WeakPolarHBondContact O-CB 3.49Å; V936-A940 PolarHBondContact O-N 3.11Å; S937-A940 PolarHBondContact O-N 3.05Å; A940-F943 PolarHBondContact O-N 3.06Å; A940-Q944 PolarHBondContact O-N 2.79Å
941L88.6Confident85.8Confident3 Ų332.9 Ų32.92%0.01616%0.164CC..Hα-helixtrans-62.3-43173.4-75.7164.5000111.7K670 V830 M871 C872 L875 S937 I938 Q944 S945K670-L941 VanDerWaalsContact CE-C 3.43Å; K670-L941 WeakPolarHBondContact CE-O 3.29Å; K670-L941 PolarHBondContact NZ-O 3.41Å; V830-L941 HydrophobicContact CG1-CD2 3.79Å; V830-L941 HydrophobicContact CG1-CG 4.23Å; M871-L941 HydrophobicContact CB-CD1 4.31Å; C872-L941 HydrophobicContact CB-CD1 4Å; L875-L941 HydrophobicContact CD1-CD1 3.88Å; S937-L941 WeakPolarHBondContact O-CB 3.29Å; S937-L941 WeakPolarHBondContact O-CG 3.32Å; S937-L941 PolarHBondContact O-N 2.79Å; I938-L941 PolarHBondContact O-N 3.1Å; L941-Q944 WeakPolarHBondContact O-CB 3.32Å; L941-Q944 PolarHBondContact O-N 2.96Å; L941-S945 PolarHBondContact O-N 2.99Å; L941-S945 PolarHBondContact O-OG 2.9Å
942A84.6Confident85.7Confident8 Ų839.5 Ų39.57%0.06619%0.189CC..Hα-helixtrans-62.2-41.9175.600000111.7I938 I939 S945 I946I938-A942 WeakPolarHBondContact O-CB 3.09Å; I938-A942 PolarHBondContact O-N 2.95Å; I939-A942 PolarHBondContact O-N 2.9Å; A942-S945 PolarHBondContact O-N 3.42Å; A942-S945 PolarHBondContact O-OG 3.13Å; A942-I946 WeakPolarHBondContact O-CG1 3.48Å; A942-I946 PolarHBondContact O-N 3.34Å; A942-I946 VanDerWaalsContact O-N 3.08Å
943F87Confident85.3Confident68 Ų6838.2 Ų38.230%0.29819%0.185SC..Hα-helixtrans-65.1-38.1177.6-171.4-110.5000112.7W819 F822 I826 I939 A940 S945 I946 V947W819-F943 HydrophobicContact CH2-CE2 4.28Å; W819-F943 HydrophobicContact CH2-CZ 4.45Å; W819-F943 HydrophobicContact CZ3-CE2 4.28Å; W819-F943 HydrophobicContact CZ3-CZ 4.17Å; F822-F943 HydrophobicContact CD2-CE1 4.27Å; F822-F943 HydrophobicContact CD2-CZ 4.29Å; F822-F943 HydrophobicContact CE2-CE1 4.2Å; F822-F943 HydrophobicContact CE2-CZ 4.16Å; F822-F943 HydrophobicContact CG-CE1 4.45Å; F822-F943 HydrophobicContact CZ-CE1 4.36Å; I826-F943 HydrophobicContact CD1-CD1 3.9Å; I826-F943 HydrophobicContact CD1-CE1 4.31Å; I939-F943 WeakPolarHBondContact O-CB 3.31Å; I939-F943 PolarHBondContact O-N 3.02Å; A940-F943 PolarHBondContact O-N 3.06Å; F943-S945 VanDerWaalsContact C-N 3.3Å; F943-S945 PolarHBondContact O-N 2.99Å; F943-I946 PolarHBondContact O-N 3.15Å; F943-V947 HydrophobicContact CD1-CG2 3.94Å; F943-V947 HydrophobicContact CE1-CG2 3.6Å; F943-V947 HydrophobicContact CE2-CG2 4.33Å; F943-V947 HydrophobicContact CG-CG2 4.45Å; F943-V947 HydrophobicContact CZ-CG2 3.81Å; F943-V947 WeakPolarHBondContact O-CG2 3.38Å; F943-V947 PolarHBondContact O-N 3.23Å
944Q88.6Confident85.1Confident4 Ų440.5 Ų40.52%0.01919%0.186CC..Hα-helixtrans-52.7-47.5171.4-174.4-170.67.200111.6I826 V830 D864 A940 L941 V947 I948I826-Q944 HydrophobicContact CG1-CB 4.05Å; I826-Q944 HydrophobicContact CG1-CG 4.23Å; I826-Q944 HydrophobicContact CG2-CG 4.25Å; V830-Q944 HydrophobicContact CG2-CB 4.24Å; D864-Q944 PolarHBondContact OD1-NE2 3.14Å; A940-Q944 PolarHBondContact O-N 2.79Å; L941-Q944 WeakPolarHBondContact O-CB 3.32Å; L941-Q944 PolarHBondContact O-N 2.96Å; Q944-V947 PolarHBondContact O-N 3.25Å; Q944-I948 HydrophobicContact CG-CD1 4.06Å; Q944-I948 WeakPolarHBondContact O-CG1 3.37Å; Q944-I948 PolarHBondContact O-N 3.4Å; Q944-I948 VanDerWaalsContact O-N 3.13Å
945S83.7Confident84.7Confident12 Ų1241.9 Ų41.98%0.08419%0.191CC..Hα-helixtrans-63.7-40174.522.20000112.8K670 L941 A942 F943 I948 Y949K670-S945 VanDerWaalsContact CE-OG 3.27Å; K670-S945 WeakPolarHBondContact CE-OG 3.48Å; L941-S945 PolarHBondContact O-N 2.99Å; L941-S945 PolarHBondContact O-OG 2.9Å; A942-S945 PolarHBondContact O-N 3.42Å; A942-S945 PolarHBondContact O-OG 3.13Å; F943-S945 VanDerWaalsContact C-N 3.3Å; F943-S945 PolarHBondContact O-N 2.99Å; S945-I948 PolarHBondContact O-N 3.01Å; S945-Y949 WeakPolarHBondContact O-CB 3.44Å; S945-Y949 WeakPolarHBondContact O-CD2 3.32Å; S945-Y949 PolarHBondContact O-N 3.18Å
946I84.9Confident84.2Confident56 Ų5645.1 Ų45.129%0.28722%0.22SC..Hα-helixtrans-63.7-44.3178.1-66.3166.8000111.3L669 A942 F943 R950L669-I946 HydrophobicContact CD2-CD1 4.31Å; L669-I946 HydrophobicContact CD2-CG1 4.47Å; A942-I946 WeakPolarHBondContact O-CG1 3.48Å; A942-I946 PolarHBondContact O-N 3.34Å; A942-I946 VanDerWaalsContact O-N 3.08Å; F943-I946 PolarHBondContact O-N 3.15Å; I946-R950 VanDerWaalsContact O-CB 3.25Å; I946-R950 WeakPolarHBondContact O-CB 3.16Å; I946-R950 PolarHBondContact O-N 2.92Å
947V86.3Confident83.6Confident0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-57.7-50.9175.6172.50000110.5W819 F822 I826 F943 Q944 R950 Q951W819-V947 HydrophobicContact CE3-CG1 4.49Å; W819-V947 HydrophobicContact CE3-CG2 4.09Å; W819-V947 HydrophobicContact CZ3-CB 4.41Å; W819-V947 HydrophobicContact CZ3-CG2 3.78Å; F822-V947 HydrophobicContact CB-CG1 4.08Å; F822-V947 HydrophobicContact CB-CG2 4.25Å; I826-V947 HydrophobicContact CG2-CG1 4.39Å; F943-V947 HydrophobicContact CD1-CG2 3.94Å; F943-V947 HydrophobicContact CE1-CG2 3.6Å; F943-V947 HydrophobicContact CE2-CG2 4.33Å; F943-V947 HydrophobicContact CG-CG2 4.45Å; F943-V947 HydrophobicContact CZ-CG2 3.81Å; F943-V947 WeakPolarHBondContact O-CG2 3.38Å; F943-V947 PolarHBondContact O-N 3.23Å; Q944-V947 PolarHBondContact O-N 3.25Å; V947-R950 PolarHBondContact O-N 3.13Å; V947-Q951 PolarHBondContact O-N 2.97Å
948I81.7Confident83.1Confident39 Ų3950.7 Ų50.720%0.225%0.253CS..Hα-helixtrans-66.8-45.3-176.9-66.6169.7000111.1Q944 S945 Q951 R952Q944-I948 HydrophobicContact CG-CD1 4.06Å; Q944-I948 WeakPolarHBondContact O-CG1 3.37Å; Q944-I948 PolarHBondContact O-N 3.4Å; Q944-I948 VanDerWaalsContact O-N 3.13Å; S945-I948 PolarHBondContact O-N 3.01Å; I948-Q951 PolarHBondContact O-N 3.22Å; I948-R952 WeakPolarHBondContact O-CB 3.4Å; I948-R952 PolarHBondContact O-N 2.87Å
949Y80.7Confident82.4Confident94 Ų9454.1 Ų54.137%0.36929%0.288SS..Hα-helixtrans-64.6-39.4176.6-71.4-47.6000112.2S945 H953S945-Y949 WeakPolarHBondContact O-CB 3.44Å; S945-Y949 WeakPolarHBondContact O-CD2 3.32Å; S945-Y949 PolarHBondContact O-N 3.18Å; Y949-H953 WeakPolarHBondContact O-CB 3.45Å; Y949-H953 PolarHBondContact O-N 3.32Å
950R83.6Confident81.9Confident72 Ų7253.5 Ų53.527%0.27229%0.286SS..Hα-helixtrans-60.1-52.1174.4-174.6-163.2-176.5-89.8-0.3111E816 W819 I946 V947 H953 Y954E816-R950 IonicContact OE1-CZ 2.74Å; E816-R950 IonicContact OE1-NH1 3.59Å; E816-R950 PolarHBondContact OE1-NH1 3.26Å; E816-R950 IonicContact OE1-NH2 2.74Å; E816-R950 PolarHBondContact OE1-NH2 3.17Å; E816-R950 IonicContact OE2-CZ 2.81Å; E816-R950 IonicContact OE2-NH1 3.34Å; E816-R950 PolarHBondContact OE2-NH1 3.04Å; E816-R950 IonicContact OE2-NH2 2.97Å; W819-R950 VanDerWaalsContact CD2-CD 3.46Å; W819-R950 VanDerWaalsContact CE2-CD 3.46Å; I946-R950 VanDerWaalsContact O-CB 3.25Å; I946-R950 WeakPolarHBondContact O-CB 3.16Å; I946-R950 PolarHBondContact O-N 2.92Å; V947-R950 PolarHBondContact O-N 3.13Å; R950-H953 PolarHBondContact O-N 3.36Å; R950-Y954 WeakPolarHBondContact O-CB 3.36Å; R950-Y954 PolarHBondContact O-N 3.35Å
951Q83Confident81.3Confident6 Ų656.1 Ų56.13%0.02830%0.301CS..Hα-helixtrans-68.7-35-177-77.6-59.6-1300112.7W819 V947 I948 Y954 R955W819-Q951 VanDerWaalsContact CB-NE2 3.28Å; V947-Q951 PolarHBondContact O-N 2.97Å; I948-Q951 PolarHBondContact O-N 3.22Å; Q951-Y954 PolarHBondContact O-N 2.78Å; Q951-R955 WeakPolarHBondContact O-CG 3.45Å; Q951-R955 PolarHBondContact O-N 2.76Å
952R81.8Confident80.3Confident140 Ų14061.5 Ų61.553%0.52833%0.326SS..Hα-helixtrans-62.9-42.9171.1-179.8164.8-82.5167.6-6.6112I948 A956 E962I948-R952 WeakPolarHBondContact O-CB 3.4Å; I948-R952 PolarHBondContact O-N 2.87Å; R952-A956 VanDerWaalsContact O-CB 3.24Å; R952-A956 WeakPolarHBondContact O-CB 3.39Å; R952-A956 PolarHBondContact O-N 2.76Å; R952-E962 IonicContact CZ-OE1 3.28Å; R952-E962 IonicContact NE-OE1 3.17Å; R952-E962 PolarHBondContact NE-OE1 3.36Å; R952-E962 IonicContact NH2-OE1 2.74Å; R952-E962 PolarHBondContact NH2-OE1 3.37Å
953H78.1Confident79.5Confident108 Ų10866.1 Ų66.150%0.536%0.359SS..Hα-helixtrans-64.7-42.8174-175.2-76.2000112Y949 R950 A956 S957Y949-H953 WeakPolarHBondContact O-CB 3.45Å; Y949-H953 PolarHBondContact O-N 3.32Å; R950-H953 PolarHBondContact O-N 3.36Å; H953-A956 PolarHBondContact O-N 2.73Å; H953-S957 WeakPolarHBondContact O-CB 3.41Å; H953-S957 PolarHBondContact O-N 3.31Å; H953-S957 PolarHBondContact O-OG 2.89Å
954Y79Confident78.5Confident72 Ų7266.5 Ų66.528%0.28236%0.362SS..Hα-helixtrans-62.5-48.8179.6-175.4-109.3000111.8R950 Q951 A956 S957 L958R950-Y954 WeakPolarHBondContact O-CB 3.36Å; R950-Y954 PolarHBondContact O-N 3.35Å; Q951-Y954 PolarHBondContact O-N 2.78Å; Y954-A956 PolarHBondContact O-N 3.24Å; Y954-S957 WeakPolarHBondContact CA-OG 3.34Å; Y954-S957 PolarHBondContact O-N 3.43Å; Y954-S957 PolarHBondContact O-OG 3.27Å; Y954-L958 HydrophobicContact CD1-CD1 4.12Å; Y954-L958 HydrophobicContact CD2-CD1 4.17Å; Y954-L958 HydrophobicContact CE1-CD1 3.66Å; Y954-L958 HydrophobicContact CE2-CD1 3.72Å; Y954-L958 HydrophobicContact CG-CD1 4.36Å; Y954-L958 VanDerWaalsContact CZ-CD1 3.45Å; Y954-L958 PolarHBondContact O-N 2.84Å
955R80.1Confident77.6Confident31 Ų3171.2 Ų71.212%0.11738%0.38CS..Hα-helixtrans-60.2-43.9172.8-72-163.9-175.998.212.3112.2E823 Q951 S957 L958 G959 L960E823-R955 VanDerWaalsContact CD-NH2 3.27Å; E823-R955 IonicContact OE1-CZ 2.9Å; E823-R955 VanDerWaalsContact OE1-CZ 3.31Å; E823-R955 IonicContact OE1-NH1 2.81Å; E823-R955 PolarHBondContact OE1-NH1 3.04Å; E823-R955 IonicContact OE1-NH2 2.65Å; E823-R955 PolarHBondContact OE1-NH2 3.23Å; E823-R955 IonicContact OE2-CZ 2.6Å; E823-R955 IonicContact OE2-NH1 2.63Å; E823-R955 IonicContact OE2-NH2 2.72Å; E823-R955 PolarHBondContact OE2-NH2 2.72Å; Q951-R955 WeakPolarHBondContact O-CG 3.45Å; Q951-R955 PolarHBondContact O-N 2.76Å; R955-S957 VanDerWaalsContact C-N 3.27Å; R955-S957 PolarHBondContact O-N 3.28Å; R955-L958 CarbonylContact O-C 3.56Å; R955-L958 PolarHBondContact O-N 2.8Å; R955-G959 PolarHBondContact O-N 2.89Å; R955-L960 HydrophobicContact CB-CB 4.35Å; R955-L960 HydrophobicContact CG-CB 4.13Å; R955-L960 PolarHBondContact O-N 3.42Å
956A77Confident77.1Confident81 Ų8174 Ų7467%0.66940%0.404SS*.Hα-helixtrans-61.9-34.1177.200000112.7R952 H953 Y954 L958R952-A956 VanDerWaalsContact O-CB 3.24Å; R952-A956 WeakPolarHBondContact O-CB 3.39Å; R952-A956 PolarHBondContact O-N 2.76Å; H953-A956 PolarHBondContact O-N 2.73Å; Y954-A956 PolarHBondContact O-N 3.24Å; A956-L958 VanDerWaalsContact C-N 3.27Å; A956-L958 PolarHBondContact O-N 2.71Å
957S74.4Confident76.7Confident74 Ų7475.8 Ų75.852%0.51741%0.409SS..THydrogen-bonded Turntrans-77-6.9174.865.10000115H953 Y954 R955H953-S957 WeakPolarHBondContact O-CB 3.41Å; H953-S957 PolarHBondContact O-N 3.31Å; H953-S957 PolarHBondContact O-OG 2.89Å; Y954-S957 WeakPolarHBondContact CA-OG 3.34Å; Y954-S957 PolarHBondContact O-N 3.43Å; Y954-S957 PolarHBondContact O-OG 3.27Å; R955-S957 VanDerWaalsContact C-N 3.27Å; R955-S957 PolarHBondContact O-N 3.28Å
958L77.7Confident76.4Confident96 Ų9676.2 Ų76.250%0.50341%0.412SS..THydrogen-bonded Turntrans-127.5-4.5-176.1-68.7175.2000114.4Y954 R955 A956 L960Y954-L958 HydrophobicContact CD1-CD1 4.12Å; Y954-L958 HydrophobicContact CD2-CD1 4.17Å; Y954-L958 HydrophobicContact CE1-CD1 3.66Å; Y954-L958 HydrophobicContact CE2-CD1 3.72Å; Y954-L958 HydrophobicContact CG-CD1 4.36Å; Y954-L958 VanDerWaalsContact CZ-CD1 3.45Å; Y954-L958 PolarHBondContact O-N 2.84Å; R955-L958 CarbonylContact O-C 3.56Å; R955-L958 PolarHBondContact O-N 2.8Å; A956-L958 VanDerWaalsContact C-N 3.27Å; A956-L958 PolarHBondContact O-N 2.71Å; L958-L960 HydrophobicContact CB-CD1 4.15Å; L958-L960 HydrophobicContact CB-CG 4.11Å; L958-L960 HydrophobicContact CD1-CD1 4.27Å; L958-L960 PolarHBondContact O-N 3.13Å
959G73.4Confident76.4Confident72 Ų7276.1 Ų76.174%0.74241%0.41SS*.THydrogen-bonded Turntrans71.521.5-179.600000115.5R955R955-G959 PolarHBondContact O-N 2.89Å
960L76.9Confident75.9Confident73 Ų7373.7 Ų73.738%0.38241%0.406SS..  trans-86.5136.8-174-66.7172.6000113.2R955 L958R955-L960 HydrophobicContact CB-CB 4.35Å; R955-L960 HydrophobicContact CG-CB 4.13Å; R955-L960 PolarHBondContact O-N 3.42Å; L958-L960 HydrophobicContact CB-CD1 4.15Å; L958-L960 HydrophobicContact CB-CG 4.11Å; L958-L960 HydrophobicContact CD1-CD1 4.27Å; L958-L960 PolarHBondContact O-N 3.13Å
961P75.9Confident75.6Confident69 Ų6977.3 Ų77.345%0.44843%0.43SS..  trans-73150.7-177.529.7-36.2000113.9S963 M964P961-S963 VanDerWaalsContact C-N 3.29Å; P961-S963 PolarHBondContact O-N 2.83Å; P961-M964 HydrophobicContact CG-CE 4Å
962E68.5Low75.4Confident116 Ų11677.8 Ų77.854%0.54243%0.433SS..G310 helixtrans-71.7-14.8-178.4-69-164.4147.400114.1R952 M964 R965R952-E962 IonicContact CZ-OE1 3.28Å; R952-E962 IonicContact NE-OE1 3.17Å; R952-E962 PolarHBondContact NE-OE1 3.36Å; R952-E962 IonicContact NH2-OE1 2.74Å; R952-E962 PolarHBondContact NH2-OE1 3.37Å; E962-M964 PolarHBondContact O-N 3.06Å; E962-M964 VanDerWaalsContact O-N 3.09Å; E962-R965 VanDerWaalsContact O-CB 3.31Å; E962-R965 WeakPolarHBondContact O-CB 3.35Å; E962-R965 PolarHBondContact O-N 3.3Å; E962-R965 VanDerWaalsContact O-N 3.1Å
963S66.7Low75Confident106 Ų10676.3 Ų76.374%0.74143%0.431SS*.G310 helixtrans-62.3-19.3-177.957.10000114.7P961 R965P961-S963 VanDerWaalsContact C-N 3.29Å; P961-S963 PolarHBondContact O-N 2.83Å; S963-R965 PolarHBondContact O-N 2.98Å
964M66.9Low74.9Confident75 Ų7575.4 Ų75.437%0.36943%0.427SS..G310 helixtrans-74.6-5176.2-58.7-171.6-157.100114.2P961 E962 A966 K967 P970P961-M964 HydrophobicContact CG-CE 4Å; E962-M964 PolarHBondContact O-N 3.06Å; E962-M964 VanDerWaalsContact O-N 3.09Å; M964-A966 PolarHBondContact O-N 3.45Å; M964-K967 PolarHBondContact O-N 3.49Å; M964-P970 HydrophobicContact SD-CB 4.07Å; M964-P970 HydrophobicContact SD-CG 4.4Å
965R69.9Low74.8Confident103 Ų10375.5 Ų75.539%0.38944%0.438SS..G310 helixtrans-55.9-16.5-174.8-175.9168.2-169.5-139.5-8.4115.3E823 D864 E962 S963E823-R965 HydrophobicContact CG-CG 4.48Å; E823-R965 WeakPolarHBondContact OE1-CG 3.44Å; E823-R965 IonicContact OE1-NE 3.4Å; D864-R965 IonicContact OD2-CZ 2.73Å; D864-R965 IonicContact OD2-NH1 2.73Å; D864-R965 PolarHBondContact OD2-NH1 2.83Å; D864-R965 VanDerWaalsContact OD2-NH1 3.15Å; D864-R965 IonicContact OD2-NH2 2.79Å; D864-R965 PolarHBondContact OD2-NH2 3.07Å; E962-R965 VanDerWaalsContact O-CB 3.31Å; E962-R965 WeakPolarHBondContact O-CB 3.35Å; E962-R965 PolarHBondContact O-N 3.3Å; E962-R965 VanDerWaalsContact O-N 3.1Å; S963-R965 PolarHBondContact O-N 2.98Å
966A72.3Confident75Confident72 Ų7277.3 Ų77.360%0.59545%0.448SS*.G310 helixtrans-104.13.3-172.900000116.1M964M964-A966 PolarHBondContact O-N 3.45Å
967K76.1Confident75.1Confident93 Ų9376 Ų7640%0.40443%0.428SS..  trans-131.8146.3178.7-65.1-170.7-177.2-1740111.4M964 Y991M964-K967 PolarHBondContact O-N 3.49Å; K967-Y991 PolarHBondContact NZ-OH 2.97Å
968V80.3Confident75.3Confident8 Ų873.6 Ų73.65%0.04841%0.408CS..SBendtrans-83.4-42.6176.3-178.30000110.5L817 V824 P970 I989 D990L817-V968 HydrophobicContact CD1-CG1 3.6Å; V824-V968 HydrophobicContact CG2-CG2 4.3Å; V968-P970 VanDerWaalsContact O-CD 3.32Å; V968-P970 WeakPolarHBondContact O-CD 3.18Å; V968-I989 HydrophobicContact CB-CG2 4.34Å; V968-I989 HydrophobicContact CG2-CG2 4.32Å; V968-D990 PolarHBondContact N-OD1 3.16Å
969F82.2Confident75.3Confident38 Ų3878 Ų7817%0.16742%0.418CS..  trans-112.387.6177.2-54.3-79000111.2L817 D971 F972 Q986 I989 D990L817-F969 HydrophobicContact CD1-CD1 4.23Å; L817-F969 HydrophobicContact CD1-CE1 3.54Å; L817-F969 HydrophobicContact CD1-CZ 3.88Å; L817-F969 HydrophobicContact CD2-CE1 4.19Å; L817-F969 HydrophobicContact CD2-CZ 4.32Å; F969-D971 PolarHBondContact O-N 2.89Å; F969-D971 VanDerWaalsContact O-N 3.12Å; F969-F972 HydrophobicContact CB-CB 4.3Å; F969-F972 PolarHBondContact O-N 3.33Å; F969-Q986 HydrophobicContact CD1-CG 4.5Å; F969-Q986 VanDerWaalsContact CD1-NE2 3.35Å; F969-Q986 HydrophobicContact CD2-CB 4.28Å; F969-Q986 HydrophobicContact CD2-CG 4.03Å; F969-Q986 HydrophobicContact CE2-CG 4.19Å; F969-Q986 HydrophobicContact CG-CG 4.19Å; F969-Q986 HydrophobicContact CZ-CG 4.49Å; F969-I989 HydrophobicContact CD2-CG2 4.49Å; F969-I989 HydrophobicContact CE2-CB 4.31Å; F969-I989 HydrophobicContact CE2-CD1 3.89Å; F969-I989 HydrophobicContact CE2-CG2 4.07Å; F969-I989 HydrophobicContact CZ-CD1 4.48Å; F969-D990 WeakPolarHBondContact CB-OD2 3.3Å; F969-D990 WeakPolarHBondContact CD2-OD2 3.43Å; F969-D990 PolarHBondContact N-OD2 3.17Å
970P70.7Confident75.6Confident42 Ų4276.5 Ų76.527%0.27340%0.396SS..THydrogen-bonded Turntrans-61.8-22.4-178.825.7-34.9000113.6M964 V968 F972M964-P970 HydrophobicContact SD-CB 4.07Å; M964-P970 HydrophobicContact SD-CG 4.4Å; V968-P970 VanDerWaalsContact O-CD 3.32Å; V968-P970 WeakPolarHBondContact O-CD 3.18Å; P970-F972 VanDerWaalsContact C-N 3.3Å; P970-F972 PolarHBondContact O-N 3.03Å
971D76.1Confident75.7Confident148 Ų14878.3 Ų78.379%0.79141%0.406SS*.THydrogen-bonded Turntrans-80.8-1.8-175.5-38.2-49.4000114F969F969-D971 PolarHBondContact O-N 2.89Å; F969-D971 VanDerWaalsContact O-N 3.12Å
972F78.9Confident76Confident17 Ų1781.7 Ų81.78%0.07541%0.414CS..  trans-103.1131.4-169.3-179.2-102.6000114.6F969 P970 H976 F977 N983 Q986 F987 Y991F969-F972 HydrophobicContact CB-CB 4.3Å; F969-F972 PolarHBondContact O-N 3.33Å; P970-F972 VanDerWaalsContact C-N 3.3Å; P970-F972 PolarHBondContact O-N 3.03Å; F972-H976 HydrophobicContact CE2-CB 4.17Å; F972-F977 HydrophobicContact CZ-CB 4.4Å; F972-N983 HydrophobicContact CE2-CB 3.94Å; F972-N983 WeakPolarHBondContact CZ-O 3.35Å; F972-Q986 HydrophobicContact CD1-CB 4.3Å; F972-Q986 HydrophobicContact CD2-CB 4.14Å; F972-Q986 HydrophobicContact CG-CB 4.04Å; F972-F987 HydrophobicContact CE1-CB 3.66Å; F972-F987 HydrophobicContact CE1-CD2 4.18Å; F972-F987 HydrophobicContact CE1-CG 4.44Å; F972-F987 HydrophobicContact CZ-CB 3.82Å; F972-Y991 HydrophobicContact CD1-CE2 4.12Å; F972-Y991 HydrophobicContact CE1-CD2 4.49Å; F972-Y991 HydrophobicContact CE1-CE2 4.26Å
973H75.2Confident76.8Confident108 Ų10877.6 Ų77.650%0.540%0.396SS..  trans-115.4139.1180-158.4-96.8000112.5S975 H976H973-S975 PolarHBondContact ND1-OG 3.28Å; H973-S975 VanDerWaalsContact ND1-OG 3.13Å; H973-S975 PolarHBondContact O-N 3.39Å; H973-H976 PolarHBondContact O-N 3.18Å
974H75.1Confident77.5Confident89 Ų8973.9 Ų73.941%0.41237%0.371SS..G310 helixtrans-59.2-27.4-166.368.2167.3000115.2H976 F977 F987H974-H976 VanDerWaalsContact C-N 3.25Å; H974-H976 PolarHBondContact O-N 3.13Å; H974-F977 VanDerWaalsContact O-CD1 3.27Å; H974-F977 WeakPolarHBondContact O-CD1 3.34Å; H974-F987 HydrophobicContact CB-CE2 4.44Å
975S77.6Confident78.4Confident74 Ų7474.6 Ų74.652%0.51738%0.376SS..G310 helixtrans-78.80.2-176.5500000114.5H973H973-S975 PolarHBondContact ND1-OG 3.28Å; H973-S975 VanDerWaalsContact ND1-OG 3.13Å; H973-S975 PolarHBondContact O-N 3.39Å
976H82.7Confident79.1Confident69 Ų6970.8 Ų70.832%0.31936%0.362SS..G310 helixtrans-103.9-0.3-178.6-67-24.8000114.7F972 H973 H974 D978 R979 N983F972-H976 HydrophobicContact CE2-CB 4.17Å; H973-H976 PolarHBondContact O-N 3.18Å; H974-H976 VanDerWaalsContact C-N 3.25Å; H974-H976 PolarHBondContact O-N 3.13Å; H976-D978 PolarHBondContact O-N 3.01Å; H976-R979 PolarHBondContact O-N 3.32Å; H976-N983 VanDerWaalsContact O-CB 3.23Å; H976-N983 WeakPolarHBondContact O-CB 3.35Å; H976-N983 PolarHBondContact O-ND2 3.34Å
977F80.6Confident79.8Confident55 Ų5569.2 Ų69.224%0.24134%0.342CS..G310 helixtrans-57.3-41.8-173.478.2-73.7000113.8F972 H974 R979 A984 F987 Y1317F972-F977 HydrophobicContact CZ-CB 4.4Å; H974-F977 VanDerWaalsContact O-CD1 3.27Å; H974-F977 WeakPolarHBondContact O-CD1 3.34Å; F977-R979 VanDerWaalsContact C-N 3.29Å; F977-R979 PolarHBondContact O-N 2.84Å; F977-A984 PolarHBondContact O-N 3.28Å; F977-F987 HydrophobicContact CB-CB 3.94Å; F977-F987 HydrophobicContact CB-CD2 4.42Å; F977-F987 HydrophobicContact CB-CG 4.08Å; F977-Y1317 WeakPolarHBondContact CZ-OH 3.23Å
978D77Confident80.2Confident22 Ų2270.3 Ų70.312%0.11835%0.352CS..G310 helixtrans-67.2-21.9-178.4-83.2-18.1000115.3H976 S980 S1153 K1159H976-D978 PolarHBondContact O-N 3.01Å; D978-S980 VanDerWaalsContact C-N 3.32Å; D978-S980 PolarHBondContact O-N 2.96Å; D978-S1153 PolarHBondContact O-OG 3.41Å; D978-K1159 WeakPolarHBondContact OD1-CE 3.43Å; D978-K1159 IonicContact OD1-NZ 2.62Å; D978-K1159 PolarHBondContact OD1-NZ 3.32Å; D978-K1159 IonicContact OD2-NZ 2.71Å; D978-K1159 PolarHBondContact OD2-NZ 2.9Å
979R78.9Confident80.3Confident189 Ų18974.1 Ų74.171%0.71337%0.371SS*.G310 helixtrans-68-27.7-173.5-68.8-174.8174.3-173.9-2.2113.6H976 F977H976-R979 PolarHBondContact O-N 3.32Å; F977-R979 VanDerWaalsContact C-N 3.29Å; F977-R979 PolarHBondContact O-N 2.84Å
980S79.8Confident80.4Confident40 Ų4074 Ų7428%0.2837%0.372SS..  trans-162.2157.3177.880.20000112.9D978 K982 N983 A984D978-S980 VanDerWaalsContact C-N 3.32Å; D978-S980 PolarHBondContact O-N 2.96Å; S980-K982 PolarHBondContact O-N 3.23Å; S980-K982 PolarHBondContact OG-N 3.02Å; S980-N983 WeakPolarHBondContact O-CB 3.33Å; S980-N983 PolarHBondContact O-N 3.21Å; S980-N983 VanDerWaalsContact OG-CG 3.32Å; S980-N983 PolarHBondContact OG-N 3.42Å; S980-N983 PolarHBondContact OG-OD1 3.13Å; S980-N983 VanDerWaalsContact OG-OD1 3.05Å; S980-A984 PolarHBondContact O-N 3.34Å
981L78.2Confident81.1Confident112 Ų11274.2 Ų74.259%0.58637%0.368SS*.Hα-helixtrans-55.2-37.6173.5-167.780.1000112.3N983 A984 I985L981-N983 VanDerWaalsContact C-N 3.34Å; L981-N983 PolarHBondContact O-N 3.47Å; L981-A984 PolarHBondContact O-N 3.27Å; L981-I985 HydrophobicContact CD2-CD1 4.31Å; L981-I985 HydrophobicContact CG-CD1 4.08Å; L981-I985 WeakPolarHBondContact O-CG1 3.47Å; L981-I985 PolarHBondContact O-N 3.22Å
982K82.4Confident81.6Confident139 Ų13967.6 Ų67.660%0.60433%0.334SS*.Hα-helixtrans-59.3-46.3175.9-176.4-165.7171.9-167.20110.9S980 A984 I985 Q986S980-K982 PolarHBondContact O-N 3.23Å; S980-K982 PolarHBondContact OG-N 3.02Å; K982-A984 VanDerWaalsContact C-N 3.34Å; K982-I985 PolarHBondContact O-N 3.46Å; K982-Q986 WeakPolarHBondContact O-CG 3.36Å; K982-Q986 PolarHBondContact O-N 3.32Å
983N85.1Confident82Confident31 Ų3169.8 Ų69.817%0.16634%0.344CS..Hα-helixtrans-66.8-37.8-179.3-6413.7000111.2F972 H976 S980 L981 Q986 F987F972-N983 HydrophobicContact CE2-CB 3.94Å; F972-N983 WeakPolarHBondContact CZ-O 3.35Å; H976-N983 VanDerWaalsContact O-CB 3.23Å; H976-N983 WeakPolarHBondContact O-CB 3.35Å; H976-N983 PolarHBondContact O-ND2 3.34Å; S980-N983 WeakPolarHBondContact O-CB 3.33Å; S980-N983 PolarHBondContact O-N 3.21Å; S980-N983 VanDerWaalsContact OG-CG 3.32Å; S980-N983 PolarHBondContact OG-N 3.42Å; S980-N983 PolarHBondContact OG-OD1 3.13Å; S980-N983 VanDerWaalsContact OG-OD1 3.05Å; L981-N983 VanDerWaalsContact C-N 3.34Å; L981-N983 PolarHBondContact O-N 3.47Å; N983-Q986 PolarHBondContact O-N 2.79Å; N983-F987 WeakPolarHBondContact O-CB 3.43Å; N983-F987 PolarHBondContact O-N 3.43Å
984A82.7Confident82.6Confident27 Ų2767.2 Ų67.222%0.22333%0.33CS..Hα-helixtrans-64.1-38.8173.400000112.6F977 S980 L981 K982 F987 L988F977-A984 PolarHBondContact O-N 3.28Å; S980-A984 PolarHBondContact O-N 3.34Å; L981-A984 PolarHBondContact O-N 3.27Å; K982-A984 VanDerWaalsContact C-N 3.34Å; A984-F987 PolarHBondContact O-N 2.85Å; A984-L988 WeakPolarHBondContact O-CB 3.35Å; A984-L988 PolarHBondContact O-N 3.37Å
985I84Confident83.1Confident91 Ų9164.9 Ų64.947%0.46732%0.319SS..Hα-helixtrans-67.9-42.5174.8-68.3164.4000111.2L981 K982 F987 L988 I989L981-I985 HydrophobicContact CD2-CD1 4.31Å; L981-I985 HydrophobicContact CG-CD1 4.08Å; L981-I985 WeakPolarHBondContact O-CG1 3.47Å; L981-I985 PolarHBondContact O-N 3.22Å; K982-I985 PolarHBondContact O-N 3.46Å; I985-F987 VanDerWaalsContact C-N 3.35Å; I985-F987 PolarHBondContact O-N 3.09Å; I985-L988 PolarHBondContact O-N 3.16Å; I985-I989 HydrophobicContact CG2-CD1 3.92Å; I985-I989 WeakPolarHBondContact O-CG1 3.38Å; I985-I989 PolarHBondContact O-N 2.81Å
986Q85.6Confident83.6Confident23 Ų2365 Ų6511%0.10731%0.31CS..Hα-helixtrans-62.6-41.8175.2-69.2-177.7-79.300111.5F969 F972 K982 N983 L988 I989 D990F969-Q986 HydrophobicContact CD1-CG 4.5Å; F969-Q986 VanDerWaalsContact CD1-NE2 3.35Å; F969-Q986 HydrophobicContact CD2-CB 4.28Å; F969-Q986 HydrophobicContact CD2-CG 4.03Å; F969-Q986 HydrophobicContact CE2-CG 4.19Å; F969-Q986 HydrophobicContact CG-CG 4.19Å; F969-Q986 HydrophobicContact CZ-CG 4.49Å; F972-Q986 HydrophobicContact CD1-CB 4.3Å; F972-Q986 HydrophobicContact CD2-CB 4.14Å; F972-Q986 HydrophobicContact CG-CB 4.04Å; K982-Q986 WeakPolarHBondContact O-CG 3.36Å; K982-Q986 PolarHBondContact O-N 3.32Å; N983-Q986 PolarHBondContact O-N 2.79Å; Q986-L988 PolarHBondContact O-N 2.79Å; Q986-I989 PolarHBondContact O-N 2.96Å; Q986-D990 PolarHBondContact O-N 3.4Å; Q986-D990 VanDerWaalsContact O-N 3.09Å
987F86Confident83.9Confident39 Ų3961.8 Ų61.817%0.17130%0.295CS..Hα-helixtrans-58.3-44.3171.4176.7-98.5000112.5F972 H974 F977 N983 A984 I985 I989 Y991 G992 K995F972-F987 HydrophobicContact CE1-CB 3.66Å; F972-F987 HydrophobicContact CE1-CD2 4.18Å; F972-F987 HydrophobicContact CE1-CG 4.44Å; F972-F987 HydrophobicContact CZ-CB 3.82Å; H974-F987 HydrophobicContact CB-CE2 4.44Å; F977-F987 HydrophobicContact CB-CB 3.94Å; F977-F987 HydrophobicContact CB-CD2 4.42Å; F977-F987 HydrophobicContact CB-CG 4.08Å; N983-F987 WeakPolarHBondContact O-CB 3.43Å; N983-F987 PolarHBondContact O-N 3.43Å; A984-F987 PolarHBondContact O-N 2.85Å; I985-F987 VanDerWaalsContact C-N 3.35Å; I985-F987 PolarHBondContact O-N 3.09Å; F987-I989 PolarHBondContact O-N 3.48Å; F987-Y991 AromaticContact CD2-CD2 3.91Å; F987-Y991 HydrophobicContact CD2-CD2 3.91Å; F987-Y991 HydrophobicContact CD2-CG 4.33Å; F987-Y991 HydrophobicContact CE2-CD2 4.31Å; F987-Y991 HydrophobicContact CE2-CG 4.31Å; F987-Y991 WeakPolarHBondContact O-CA 3.5Å; F987-Y991 WeakPolarHBondContact O-CB 3.35Å; F987-Y991 PolarHBondContact O-N 2.64Å; F987-G992 PolarHBondContact O-N 3.22Å; F987-K995 HydrophobicContact CZ-CG 4.11Å
988L84.8Confident84.3Confident116 Ų11659.9 Ų59.961%0.60729%0.287SS*.Hα-helixtrans-68.3-33-179.2-169.5144.3000112.6A984 I985 Q986 G992A984-L988 WeakPolarHBondContact O-CB 3.35Å; A984-L988 PolarHBondContact O-N 3.37Å; I985-L988 PolarHBondContact O-N 3.16Å; Q986-L988 PolarHBondContact O-N 2.79Å; L988-G992 WeakPolarHBondContact O-CA 2.86Å; L988-G992 PolarHBondContact O-N 3.07Å
989I84.1Confident85Confident88 Ų8859.3 Ų59.345%0.45128%0.284SS..Hα-helixtrans-71.9-50.6176.3-68.4167.1000111.6V968 F969 I985 Q986 F987V968-I989 HydrophobicContact CB-CG2 4.34Å; V968-I989 HydrophobicContact CG2-CG2 4.32Å; F969-I989 HydrophobicContact CD2-CG2 4.49Å; F969-I989 HydrophobicContact CE2-CB 4.31Å; F969-I989 HydrophobicContact CE2-CD1 3.89Å; F969-I989 HydrophobicContact CE2-CG2 4.07Å; F969-I989 HydrophobicContact CZ-CD1 4.48Å; I985-I989 HydrophobicContact CG2-CD1 3.92Å; I985-I989 WeakPolarHBondContact O-CG1 3.38Å; I985-I989 PolarHBondContact O-N 2.81Å; Q986-I989 PolarHBondContact O-N 2.96Å; F987-I989 PolarHBondContact O-N 3.48Å
990D84.3Confident85.6Confident36 Ų3653.2 Ų53.219%0.19327%0.265CS..Hα-helixtrans-83.2-24.6-175.7-74-54.5000113.8V968 F969 Q986V968-D990 PolarHBondContact N-OD1 3.16Å; F969-D990 WeakPolarHBondContact CB-OD2 3.3Å; F969-D990 WeakPolarHBondContact CD2-OD2 3.43Å; F969-D990 PolarHBondContact N-OD2 3.17Å; Q986-D990 PolarHBondContact O-N 3.4Å; Q986-D990 VanDerWaalsContact O-N 3.09Å
991Y84.7Confident86.2Confident46 Ų4651.5 Ų51.518%0.1825%0.253CS..Hα-helixtrans-127.6-1.5-175.4-56.1-87000115.3K967 F972 F987 F993 Y994 K995K967-Y991 PolarHBondContact NZ-OH 2.97Å; F972-Y991 HydrophobicContact CD1-CE2 4.12Å; F972-Y991 HydrophobicContact CE1-CD2 4.49Å; F972-Y991 HydrophobicContact CE1-CE2 4.26Å; F987-Y991 AromaticContact CD2-CD2 3.91Å; F987-Y991 HydrophobicContact CD2-CD2 3.91Å; F987-Y991 HydrophobicContact CD2-CG 4.33Å; F987-Y991 HydrophobicContact CE2-CD2 4.31Å; F987-Y991 HydrophobicContact CE2-CG 4.31Å; F987-Y991 WeakPolarHBondContact O-CA 3.5Å; F987-Y991 WeakPolarHBondContact O-CB 3.35Å; F987-Y991 PolarHBondContact O-N 2.64Å; Y991-F993 PolarHBondContact O-N 2.91Å; Y991-Y994 WeakPolarHBondContact O-CB 3.39Å; Y991-Y994 PolarHBondContact O-N 3.35Å; Y991-K995 PolarHBondContact O-N 3.31Å; Y991-K995 VanDerWaalsContact O-N 3.09Å
992G85.3Confident86.9Confident8 Ų846.9 Ų46.98%0.08223%0.229CC..Hα-helixtrans-57.4-51.4-175.900000113.5F987 L988 Y994 K995 F996F987-G992 PolarHBondContact O-N 3.22Å; L988-G992 WeakPolarHBondContact O-CA 2.86Å; L988-G992 PolarHBondContact O-N 3.07Å; G992-Y994 VanDerWaalsContact C-N 3.26Å; G992-Y994 PolarHBondContact O-N 3.04Å; G992-K995 PolarHBondContact O-N 3.05Å; G992-F996 WeakPolarHBondContact O-CD2 3.13Å; G992-F996 PolarHBondContact O-N 3.11Å
993F88.3Confident87.4Confident63 Ų6341.7 Ų41.728%0.27621%0.207SC..Hα-helixtrans-67.6-24.5176.5-166.4-92.6000112.8Y991 G997 I1000 L1112 C1115 Q1116 V1119Y991-F993 PolarHBondContact O-N 2.91Å; F993-G997 VanDerWaalsContact O-CA 3.23Å; F993-G997 WeakPolarHBondContact O-CA 3.45Å; F993-G997 PolarHBondContact O-N 2.9Å; F993-I1000 HydrophobicContact CD2-CD1 4.17Å; F993-I1000 HydrophobicContact CE2-CG2 4.29Å; F993-L1112 HydrophobicContact CE2-CD2 4Å; F993-C1115 HydrophobicContact CE1-CB 3.68Å; F993-C1115 HydrophobicContact CZ-CB 3.92Å; F993-Q1116 HydrophobicContact CE1-CB 4.29Å; F993-Q1116 HydrophobicContact CZ-CB 4.21Å; F993-V1119 HydrophobicContact CD1-CG2 3.86Å; F993-V1119 HydrophobicContact CE1-CG2 4.04Å
994Y86.9Confident87.8Confident55 Ų5541.1 Ų41.122%0.21621%0.207CC..Hα-helixtrans-71.8-28.8174.5177.2-96.5000113Y991 G992 V1119 N1127Y991-Y994 WeakPolarHBondContact O-CB 3.39Å; Y991-Y994 PolarHBondContact O-N 3.35Å; G992-Y994 VanDerWaalsContact C-N 3.26Å; G992-Y994 PolarHBondContact O-N 3.04Å; Y994-V1119 HydrophobicContact CD2-CG1 3.85Å; Y994-V1119 HydrophobicContact CE2-CG1 4.34Å; Y994-N1127 PolarHBondContact O-ND2 3.27Å
995K85.6Confident88.3Confident39 Ų3939.9 Ų39.917%0.1720%0.196CC..Hα-helixtrans-93.3-31.1176.9-69.5-55.3-173.3-172.90114.5F987 Y991 G992 D1126 N1127 R1311F987-K995 HydrophobicContact CZ-CG 4.11Å; Y991-K995 PolarHBondContact O-N 3.31Å; Y991-K995 VanDerWaalsContact O-N 3.09Å; G992-K995 PolarHBondContact O-N 3.05Å; K995-D1126 PolarHBondContact NZ-O 3.06Å; K995-D1126 IonicContact NZ-OD2 3.16Å; K995-D1126 PolarHBondContact NZ-OD2 2.88Å; K995-N1127 WeakPolarHBondContact CD-OD1 3.36Å; K995-N1127 WeakPolarHBondContact CE-OD1 3.49Å; K995-N1127 PolarHBondContact NZ-OD1 3.37Å; K995-R1311 PolarHBondContact O-NH2 3.47Å
996F88.2Confident88.8Confident78 Ų7835.6 Ų35.634%0.34218%0.175SC..Hα-helixtrans-120.77.7-172.8-56.8-68.2000115.3G992 L998 E999 I1000 F1308G992-F996 WeakPolarHBondContact O-CD2 3.13Å; G992-F996 PolarHBondContact O-N 3.11Å; F996-L998 VanDerWaalsContact C-N 3.3Å; F996-L998 PolarHBondContact O-N 3.09Å; F996-E999 VanDerWaalsContact C-OE2 3.27Å; F996-E999 WeakPolarHBondContact CA-OE2 3.45Å; F996-E999 PolarHBondContact O-N 3.16Å; F996-I1000 HydrophobicContact CB-CD1 4.07Å; F996-I1000 HydrophobicContact CB-CG1 4.45Å; F996-I1000 VanDerWaalsContact O-CG1 3.3Å; F996-I1000 WeakPolarHBondContact O-CG1 3.19Å; F996-I1000 PolarHBondContact O-N 3.03Å; F996-F1308 HydrophobicContact CD1-CE1 4.26Å
997G89.5Confident89.1Confident1 Ų138.4 Ų38.41%0.0119%0.19CC..Hα-helixtrans-64.2-27.2-172.200000115.4F993 T1001 Q1116F993-G997 VanDerWaalsContact O-CA 3.23Å; F993-G997 WeakPolarHBondContact O-CA 3.45Å; F993-G997 PolarHBondContact O-N 2.9Å; G997-T1001 WeakPolarHBondContact O-CB 3.2Å; G997-T1001 WeakPolarHBondContact O-CG2 3.49Å; G997-T1001 PolarHBondContact O-N 3.46Å; G997-T1001 PolarHBondContact O-OG1 3.42Å; G997-Q1116 VanDerWaalsContact C-OE1 3.26Å; G997-Q1116 VanDerWaalsContact CA-OE1 3.31Å
998L90Very high89.4Confident14 Ų1436.8 Ų36.87%0.07318%0.182CC..Hα-helixtrans-72.2-44.9173.6174.859.1000110.9F996 I1000 T1001 M1002 R1032 V1035 W1039 F1120F996-L998 VanDerWaalsContact C-N 3.3Å; F996-L998 PolarHBondContact O-N 3.09Å; L998-I1000 VanDerWaalsContact C-N 3.35Å; L998-I1000 PolarHBondContact O-N 3.41Å; L998-T1001 WeakPolarHBondContact CA-OG1 3.45Å; L998-T1001 PolarHBondContact O-N 2.89Å; L998-T1001 PolarHBondContact O-OG1 2.97Å; L998-M1002 HydrophobicContact CD1-CG 4.34Å; L998-M1002 HydrophobicContact CD1-SD 4.43Å; L998-M1002 HydrophobicContact CG-CE 4.22Å; L998-M1002 WeakPolarHBondContact O-CG 3.05Å; L998-M1002 PolarHBondContact O-N 3.24Å; L998-R1032 HydrophobicContact CD2-CG 4.18Å; L998-V1035 HydrophobicContact CD1-CG1 3.89Å; L998-W1039 HydrophobicContact CD1-CE3 4.49Å; L998-W1039 HydrophobicContact CD1-CH2 4.2Å; L998-W1039 HydrophobicContact CD1-CZ3 3.87Å; L998-F1120 HydrophobicContact CD1-CZ 4.41Å; L998-F1120 HydrophobicContact CD2-CZ 4.43Å
999E91.1Very high89.7Confident10 Ų1031.2 Ų31.25%0.04715%0.154CC..Hα-helixtrans-62.3-43177.2-60.289.7147.100110.8F996 I1003 V1307 F1308 R1311F996-E999 VanDerWaalsContact C-OE2 3.27Å; F996-E999 WeakPolarHBondContact CA-OE2 3.45Å; F996-E999 PolarHBondContact O-N 3.16Å; E999-I1003 WeakPolarHBondContact O-CG1 3.27Å; E999-I1003 PolarHBondContact O-N 3.15Å; E999-V1307 HydrophobicContact CB-CG1 4.09Å; E999-V1307 HydrophobicContact CG-CG1 4.07Å; E999-F1308 HydrophobicContact CB-CE1 4.43Å; E999-R1311 WeakPolarHBondContact OE1-CD 3.4Å; E999-R1311 WeakPolarHBondContact OE1-CG 3.43Å; E999-R1311 IonicContact OE1-CZ 2.75Å; E999-R1311 IonicContact OE1-NE 2.66Å; E999-R1311 PolarHBondContact OE1-NE 3.49Å; E999-R1311 IonicContact OE1-NH2 2.72Å
1000I91.5Very high90Very high61 Ų6130.4 Ų30.431%0.31315%0.147SC..Hα-helixtrans-64.4-40.4174.7-68164.3000111.9F993 F996 L998 I1003 A1004F993-I1000 HydrophobicContact CD2-CD1 4.17Å; F993-I1000 HydrophobicContact CE2-CG2 4.29Å; F996-I1000 HydrophobicContact CB-CD1 4.07Å; F996-I1000 HydrophobicContact CB-CG1 4.45Å; F996-I1000 VanDerWaalsContact O-CG1 3.3Å; F996-I1000 WeakPolarHBondContact O-CG1 3.19Å; F996-I1000 PolarHBondContact O-N 3.03Å; L998-I1000 VanDerWaalsContact C-N 3.35Å; L998-I1000 PolarHBondContact O-N 3.41Å; I1000-I1003 PolarHBondContact O-N 2.9Å; I1000-A1004 WeakPolarHBondContact O-CB 3.3Å; I1000-A1004 PolarHBondContact O-N 2.86Å
1001T93Very high90.2Very high4 Ų432.3 Ų32.33%0.02516%0.157CC..Hα-helixtrans-72-35.8179.940.20000112.9G997 L998 I1003 A1004 I1005 W1039 L1112 Q1116G997-T1001 WeakPolarHBondContact O-CB 3.2Å; G997-T1001 WeakPolarHBondContact O-CG2 3.49Å; G997-T1001 PolarHBondContact O-N 3.46Å; G997-T1001 PolarHBondContact O-OG1 3.42Å; L998-T1001 WeakPolarHBondContact CA-OG1 3.45Å; L998-T1001 PolarHBondContact O-N 2.89Å; L998-T1001 PolarHBondContact O-OG1 2.97Å; T1001-I1003 VanDerWaalsContact C-N 3.35Å; T1001-A1004 PolarHBondContact O-N 3.35Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.47Å; T1001-I1005 PolarHBondContact O-N 3Å; T1001-W1039 HydrophobicContact CG2-CH2 4.44Å; T1001-W1039 HydrophobicContact CG2-CZ2 4.04Å; T1001-W1039 WeakPolarHBondContact OG1-CH2 3.4Å; T1001-L1112 HydrophobicContact CG2-CB 3.69Å; T1001-Q1116 HydrophobicContact CG2-CB 4.17Å
1002M92.5Very high90.4Very high16 Ų1630.1 Ų30.18%0.07915%0.148CC..Hα-helixtrans-64.5-38.4171.9-68.6-175.2-58.400112.2L998 I1005 G1006 L1024 F1027 A1028 V1307L998-M1002 HydrophobicContact CD1-CG 4.34Å; L998-M1002 HydrophobicContact CD1-SD 4.43Å; L998-M1002 HydrophobicContact CG-CE 4.22Å; L998-M1002 WeakPolarHBondContact O-CG 3.05Å; L998-M1002 PolarHBondContact O-N 3.24Å; M1002-I1005 PolarHBondContact O-N 2.59Å; M1002-G1006 PolarHBondContact O-N 2.88Å; M1002-L1024 HydrophobicContact CB-CD1 4.01Å; M1002-L1024 HydrophobicContact CG-CD1 4.44Å; M1002-L1024 WeakPolarHBondContact O-CD1 3.17Å; M1002-F1027 HydrophobicContact CG-CB 4.27Å; M1002-F1027 HydrophobicContact SD-CB 3.99Å; M1002-A1028 HydrophobicContact SD-CB 4.39Å; M1002-V1307 HydrophobicContact CE-CG1 3.85Å
1003I92.7Very high90.4Very high29 Ų2930.3 Ų30.315%0.14915%0.147CC..Hα-helixtrans-66.7-40.3174.5-67.5167.9000110.9E999 I1000 T1001 I1005 G1006 I1007 F1308E999-I1003 WeakPolarHBondContact O-CG1 3.27Å; E999-I1003 PolarHBondContact O-N 3.15Å; I1000-I1003 PolarHBondContact O-N 2.9Å; T1001-I1003 VanDerWaalsContact C-N 3.35Å; I1003-I1005 VanDerWaalsContact C-N 3.34Å; I1003-I1005 PolarHBondContact O-N 3.33Å; I1003-G1006 PolarHBondContact O-N 3.12Å; I1003-G1006 VanDerWaalsContact O-N 3.17Å; I1003-I1007 HydrophobicContact CG2-CD1 3.98Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.4Å; I1003-I1007 PolarHBondContact O-N 2.99Å; I1003-F1308 HydrophobicContact CD1-CD2 4.2Å; I1003-F1308 HydrophobicContact CD1-CE2 3.58Å; I1003-F1308 HydrophobicContact CD1-CZ 4.29Å
1004A93Very high90.4Very high19 Ų1927.5 Ų27.516%0.15714%0.135CC..Hα-helixtrans-61.3-39.9175.100000112.5I1000 T1001 I1007 D1008 L1112I1000-A1004 WeakPolarHBondContact O-CB 3.3Å; I1000-A1004 PolarHBondContact O-N 2.86Å; T1001-A1004 PolarHBondContact O-N 3.35Å; A1004-I1007 PolarHBondContact O-N 3.39Å; A1004-D1008 PolarHBondContact O-N 2.87Å; A1004-L1112 HydrophobicContact CB-CD1 3.78Å
1005I94.3Very high90.4Very high2 Ų226.1 Ų26.11%0.0114%0.135CC..Hα-helixtrans-63.6-41.9173.3-66.6164.9000110.7T1001 M1002 I1003 I1007 D1008 I1009 Q1020 L1024 F1027 Y1042 V1109T1001-I1005 WeakPolarHBondContact O-CG1 3.47Å; T1001-I1005 PolarHBondContact O-N 3Å; M1002-I1005 PolarHBondContact O-N 2.59Å; I1003-I1005 VanDerWaalsContact C-N 3.34Å; I1003-I1005 PolarHBondContact O-N 3.33Å; I1005-I1007 VanDerWaalsContact C-N 3.3Å; I1005-I1007 PolarHBondContact O-N 3.5Å; I1005-D1008 PolarHBondContact O-N 3.13Å; I1005-I1009 HydrophobicContact CG2-CD1 3.83Å; I1005-I1009 HydrophobicContact CG2-CG1 4.46Å; I1005-I1009 WeakPolarHBondContact O-CD1 3.32Å; I1005-I1009 VanDerWaalsContact O-CG1 3.24Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.24Å; I1005-I1009 PolarHBondContact O-N 3.06Å; I1005-Q1020 HydrophobicContact CG2-CB 4.21Å; I1005-L1024 HydrophobicContact CG2-CB 4.05Å; I1005-L1024 HydrophobicContact CG2-CD1 4.41Å; I1005-F1027 HydrophobicContact CD1-CD2 4.16Å; I1005-F1027 HydrophobicContact CD1-CE2 4.07Å; I1005-Y1042 HydrophobicContact CD1-CE1 4.14Å; I1005-Y1042 WeakPolarHBondContact CD1-OH 3.5Å; I1005-Y1042 WeakPolarHBondContact CG1-OH 3.35Å; I1005-V1109 HydrophobicContact CG1-CG1 4.2Å
1006G92.6Very high90.6Very high1 Ų125.5 Ų25.51%0.0113%0.133CC..Hα-helixtrans-61-35.2174.500000114.1M1002 I1003 F1010 V1300M1002-G1006 PolarHBondContact O-N 2.88Å; I1003-G1006 PolarHBondContact O-N 3.12Å; I1003-G1006 VanDerWaalsContact O-N 3.17Å; G1006-F1010 PolarHBondContact O-N 2.92Å; G1006-V1300 WeakPolarHBondContact O-CG2 3.44Å
1007I92.3Very high90.7Very high82 Ų8221.8 Ų21.842%0.42112%0.117SC..Hα-helixtrans-72.7-39.7175.5-67.3164.8000111.2I1003 A1004 I1005 F1010 N1011 V1300I1003-I1007 HydrophobicContact CG2-CD1 3.98Å; I1003-I1007 WeakPolarHBondContact O-CG1 3.4Å; I1003-I1007 PolarHBondContact O-N 2.99Å; A1004-I1007 PolarHBondContact O-N 3.39Å; I1005-I1007 VanDerWaalsContact C-N 3.3Å; I1005-I1007 PolarHBondContact O-N 3.5Å; I1007-F1010 PolarHBondContact O-N 3.26Å; I1007-N1011 PolarHBondContact O-N 2.98Å; I1007-V1300 HydrophobicContact CG1-CG1 4.29Å
1008D91.9Very high90.8Very high4 Ų423.2 Ų23.22%0.02113%0.129CC..Hα-helixtrans-62.2-46.7176.1-172.564.1000111.5A1004 I1005 F1010 N1011 R1012 V1109A1004-D1008 PolarHBondContact O-N 2.87Å; I1005-D1008 PolarHBondContact O-N 3.13Å; D1008-F1010 VanDerWaalsContact C-N 3.28Å; D1008-F1010 PolarHBondContact O-N 3.47Å; D1008-N1011 PolarHBondContact O-N 3.31Å; D1008-N1011 VanDerWaalsContact O-N 3.17Å; D1008-R1012 WeakPolarHBondContact O-CB 3.35Å; D1008-R1012 WeakPolarHBondContact O-CG 3.35Å; D1008-R1012 PolarHBondContact O-N 3.46Å; D1008-R1012 WeakPolarHBondContact OD2-CD 3.49Å; D1008-V1109 HydrophobicContact CB-CG2 3.97Å
1009I92.5Very high90.8Very high0 Ų026.4 Ų26.40%015%0.145CC..Hα-helixtrans-54.6-43.8173.3-68160.9000111.4I1005 R1012 M1013 A1017 Q1020 C1021 L1024 I1231 V1235 I1296I1005-I1009 HydrophobicContact CG2-CD1 3.83Å; I1005-I1009 HydrophobicContact CG2-CG1 4.46Å; I1005-I1009 WeakPolarHBondContact O-CD1 3.32Å; I1005-I1009 VanDerWaalsContact O-CG1 3.24Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.24Å; I1005-I1009 PolarHBondContact O-N 3.06Å; I1009-R1012 PolarHBondContact O-N 3.12Å; I1009-M1013 PolarHBondContact O-N 2.9Å; I1009-A1017 HydrophobicContact CB-CB 4.46Å; I1009-A1017 HydrophobicContact CG2-CB 4.23Å; I1009-Q1020 HydrophobicContact CD1-CB 3.97Å; I1009-Q1020 HydrophobicContact CG1-CB 3.64Å; I1009-C1021 VanDerWaalsContact CG2-SG 3.57Å; I1009-L1024 HydrophobicContact CD1-CB 4.32Å; I1009-L1024 HydrophobicContact CD1-CD2 3.7Å; I1009-I1231 HydrophobicContact CG2-CG2 4.24Å; I1009-V1235 HydrophobicContact CG2-CG2 3.84Å; I1009-I1296 HydrophobicContact CG2-CD1 3.72Å
1010F90.4Very high90.9Very high71 Ų7126 Ų2631%0.31114%0.143SC..Hα-helixtrans-66.4-37.4179.4167.4-121.6000113.3G1006 I1007 D1008 M1013 I1296 V1300G1006-F1010 PolarHBondContact O-N 2.92Å; I1007-F1010 PolarHBondContact O-N 3.26Å; D1008-F1010 VanDerWaalsContact C-N 3.28Å; D1008-F1010 PolarHBondContact O-N 3.47Å; F1010-M1013 WeakPolarHBondContact O-CG 3.36Å; F1010-I1296 HydrophobicContact CB-CD1 3.92Å; F1010-I1296 HydrophobicContact CB-CG1 3.85Å; F1010-I1296 HydrophobicContact CD2-CG1 3.72Å; F1010-I1296 HydrophobicContact CG-CG1 4.21Å; F1010-V1300 HydrophobicContact CB-CG2 4.33Å
1011N88Confident90.9Very high75 Ų7523.2 Ų23.240%0.40113%0.129SC..Hα-helixtrans-72.7-39.7176.7-70-17.1000111.9I1007 D1008 Y1102I1007-N1011 PolarHBondContact O-N 2.98Å; D1008-N1011 PolarHBondContact O-N 3.31Å; D1008-N1011 VanDerWaalsContact O-N 3.17Å; N1011-Y1102 WeakPolarHBondContact O-CE1 3.33Å
1012R88Confident90.9Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-81.2-52.9-172.4-68.9-176.568.1117.827.2113.6D1008 I1009 D1014 A1017 Q1053 Y1102 D1106D1008-R1012 WeakPolarHBondContact O-CB 3.35Å; D1008-R1012 WeakPolarHBondContact O-CG 3.35Å; D1008-R1012 PolarHBondContact O-N 3.46Å; D1008-R1012 WeakPolarHBondContact OD2-CD 3.49Å; I1009-R1012 PolarHBondContact O-N 3.12Å; R1012-D1014 WeakPolarHBondContact CB-OD1 3.35Å; R1012-D1014 IonicContact CZ-OD1 2.63Å; R1012-D1014 IonicContact CZ-OD2 3.76Å; R1012-D1014 IonicContact NE-OD1 2.77Å; R1012-D1014 PolarHBondContact NE-OD1 3.11Å; R1012-D1014 VanDerWaalsContact NE-OD1 3.13Å; R1012-D1014 IonicContact NE-OD2 3.58Å; R1012-D1014 PolarHBondContact NE-OD2 3.1Å; R1012-D1014 IonicContact NH2-OD1 3.99Å; R1012-D1014 IonicContact NH2-OD2 2.69Å; R1012-D1014 PolarHBondContact NH2-OD2 3.4Å; R1012-D1014 PolarHBondContact O-N 3.14Å; R1012-A1017 HydrophobicContact CB-CB 3.95Å; R1012-Q1053 VanDerWaalsContact NH1-OE1 3.14Å; R1012-Y1102 HydrophobicContact CG-CD1 4.21Å; R1012-Y1102 HydrophobicContact CG-CG 4.33Å; R1012-D1106 IonicContact CZ-OD2 2.82Å; R1012-D1106 IonicContact NH1-OD1 2.91Å; R1012-D1106 PolarHBondContact NH1-OD1 3.38Å; R1012-D1106 IonicContact NH1-OD2 3.19Å; R1012-D1106 PolarHBondContact NH1-OD2 2.92Å
1013M87.3Confident90.9Very high12 Ų1230.9 Ų30.96%0.05916%0.16CC..  trans49.526.8-176.2-60.7-72.4-78.400115I1009 F1010 V1235 Q1238 I1296I1009-M1013 PolarHBondContact O-N 2.9Å; F1010-M1013 WeakPolarHBondContact O-CG 3.36Å; M1013-V1235 HydrophobicContact CE-CG2 4.49Å; M1013-V1235 HydrophobicContact SD-CG2 3.9Å; M1013-Q1238 HydrophobicContact CE-CG 3.87Å; M1013-I1296 HydrophobicContact CE-CG2 4.06Å; M1013-I1296 HydrophobicContact SD-CD1 3.9Å; M1013-I1296 HydrophobicContact SD-CG1 3.86Å; M1013-I1296 HydrophobicContact SD-CG2 4.28Å
1014D87.3Confident90.9Very high5 Ų529.6 Ų29.63%0.02715%0.154CC..SBendtrans-108.2-174.8-175.169.7-11.6000112.9R1012 L1016 A1017 A1018R1012-D1014 WeakPolarHBondContact CB-OD1 3.35Å; R1012-D1014 IonicContact CZ-OD1 2.63Å; R1012-D1014 IonicContact CZ-OD2 3.76Å; R1012-D1014 IonicContact NE-OD1 2.77Å; R1012-D1014 PolarHBondContact NE-OD1 3.11Å; R1012-D1014 VanDerWaalsContact NE-OD1 3.13Å; R1012-D1014 IonicContact NE-OD2 3.58Å; R1012-D1014 PolarHBondContact NE-OD2 3.1Å; R1012-D1014 IonicContact NH2-OD1 3.99Å; R1012-D1014 IonicContact NH2-OD2 2.69Å; R1012-D1014 PolarHBondContact NH2-OD2 3.4Å; R1012-D1014 PolarHBondContact O-N 3.14Å; D1014-L1016 PolarHBondContact O-N 3.02Å; D1014-L1016 PolarHBondContact OD1-N 2.89Å; D1014-A1017 WeakPolarHBondContact O-CB 3.27Å; D1014-A1017 PolarHBondContact O-N 3.32Å; D1014-A1017 VanDerWaalsContact O-N 3.14Å; D1014-A1017 WeakPolarHBondContact OD1-CB 3.31Å; D1014-A1017 PolarHBondContact OD1-N 3.17Å; D1014-A1018 PolarHBondContact O-N 3Å
1015A87.9Confident90.9Very high25 Ų2530.7 Ų30.721%0.20716%0.159CC..Hα-helixtrans-61.7-30.6176.400000113.1A1018 I1019 L1088 L1089A1015-A1018 WeakPolarHBondContact O-CB 3.36Å; A1015-A1018 PolarHBondContact O-N 3.2Å; A1015-I1019 PolarHBondContact O-N 3.49Å; A1015-L1088 VanDerWaalsContact CB-O 3.22Å; A1015-L1088 WeakPolarHBondContact CB-O 3.39Å; A1015-L1088 PolarHBondContact N-O 2.98Å; A1015-L1089 HydrophobicContact CB-CD2 4.19Å
1016L89.6Confident90.8Very high27 Ų2732.2 Ų32.214%0.14117%0.167CC..Hα-helixtrans-72.8-36.5174.1-77.7163.8000111.2D1014 A1018 I1019 Q1020 L1049 N1090D1014-L1016 PolarHBondContact O-N 3.02Å; D1014-L1016 PolarHBondContact OD1-N 2.89Å; L1016-A1018 VanDerWaalsContact C-N 3.29Å; L1016-A1018 PolarHBondContact O-N 3.46Å; L1016-I1019 HydrophobicContact CD2-CD1 4.3Å; L1016-I1019 CarbonylContact O-C 3.28Å; L1016-I1019 WeakPolarHBondContact O-CA 3.34Å; L1016-I1019 WeakPolarHBondContact O-CB 3.45Å; L1016-I1019 PolarHBondContact O-N 2.91Å; L1016-I1019 VanDerWaalsContact O-N 3.08Å; L1016-Q1020 WeakPolarHBondContact O-CG 3.39Å; L1016-Q1020 PolarHBondContact O-N 2.93Å; L1016-L1049 HydrophobicContact CD1-CD1 4.28Å; L1016-L1049 HydrophobicContact CD2-CD1 3.94Å; L1016-L1049 HydrophobicContact CD2-CD2 4.39Å; L1016-N1090 HydrophobicContact CD1-CB 4.2Å
1017A90.4Very high90.7Very high0 Ų032.4 Ų32.40%017%0.167CC..Hα-helixtrans-59.8-38.5169.800000111.7I1009 R1012 D1014 I1019 Q1020 C1021 V1235I1009-A1017 HydrophobicContact CB-CB 4.46Å; I1009-A1017 HydrophobicContact CG2-CB 4.23Å; R1012-A1017 HydrophobicContact CB-CB 3.95Å; D1014-A1017 WeakPolarHBondContact O-CB 3.27Å; D1014-A1017 PolarHBondContact O-N 3.32Å; D1014-A1017 VanDerWaalsContact O-N 3.14Å; D1014-A1017 WeakPolarHBondContact OD1-CB 3.31Å; D1014-A1017 PolarHBondContact OD1-N 3.17Å; A1017-I1019 VanDerWaalsContact C-N 3.32Å; A1017-I1019 PolarHBondContact O-N 3.1Å; A1017-Q1020 CarbonylContact O-C 3.55Å; A1017-Q1020 PolarHBondContact O-N 3.12Å; A1017-C1021 PolarHBondContact O-N 3.45Å; A1017-C1021 PolarHBondContact O-SG 2.98Å; A1017-V1235 HydrophobicContact CB-CG1 4.32Å
1018A89.9Confident90.6Very high31 Ų3129.5 Ų29.526%0.25616%0.156SC..Hα-helixtrans-63.2-36.7172.900000112.5D1014 A1015 L1016 C1021 F1022 V1235D1014-A1018 PolarHBondContact O-N 3Å; A1015-A1018 WeakPolarHBondContact O-CB 3.36Å; A1015-A1018 PolarHBondContact O-N 3.2Å; L1016-A1018 VanDerWaalsContact C-N 3.29Å; L1016-A1018 PolarHBondContact O-N 3.46Å; A1018-C1021 WeakPolarHBondContact O-CB 3.5Å; A1018-C1021 PolarHBondContact O-N 3.44Å; A1018-F1022 PolarHBondContact O-N 2.86Å; A1018-V1235 HydrophobicContact CB-CG1 4.03Å
1019I91.3Very high90.4Very high81 Ų8134 Ų3442%0.41518%0.179SC..Hα-helixtrans-69.4-39172.7-66.4166.2000111A1015 L1016 A1017 C1021 F1022 W1023A1015-I1019 PolarHBondContact O-N 3.49Å; L1016-I1019 HydrophobicContact CD2-CD1 4.3Å; L1016-I1019 CarbonylContact O-C 3.28Å; L1016-I1019 WeakPolarHBondContact O-CA 3.34Å; L1016-I1019 WeakPolarHBondContact O-CB 3.45Å; L1016-I1019 PolarHBondContact O-N 2.91Å; L1016-I1019 VanDerWaalsContact O-N 3.08Å; A1017-I1019 VanDerWaalsContact C-N 3.32Å; A1017-I1019 PolarHBondContact O-N 3.1Å; I1019-C1021 VanDerWaalsContact C-N 3.34Å; I1019-C1021 PolarHBondContact O-N 3.42Å; I1019-F1022 WeakPolarHBondContact O-CB 3.3Å; I1019-F1022 PolarHBondContact O-N 2.96Å; I1019-W1023 PolarHBondContact O-N 3.01Å
1020Q91.9Very high90.1Very high1 Ų137.5 Ų37.51%0.00520%0.198CC..Hα-helixtrans-65.8-33.9173.2-62.5-65.730.600112.2I1005 I1009 L1016 A1017 F1022 W1023 L1024 Y1042 M1046I1005-Q1020 HydrophobicContact CG2-CB 4.21Å; I1009-Q1020 HydrophobicContact CD1-CB 3.97Å; I1009-Q1020 HydrophobicContact CG1-CB 3.64Å; L1016-Q1020 WeakPolarHBondContact O-CG 3.39Å; L1016-Q1020 PolarHBondContact O-N 2.93Å; A1017-Q1020 CarbonylContact O-C 3.55Å; A1017-Q1020 PolarHBondContact O-N 3.12Å; Q1020-F1022 VanDerWaalsContact C-N 3.31Å; Q1020-F1022 PolarHBondContact O-N 2.85Å; Q1020-W1023 PolarHBondContact O-N 3.17Å; Q1020-L1024 WeakPolarHBondContact O-CB 3.23Å; Q1020-L1024 PolarHBondContact O-N 3.5Å; Q1020-Y1042 PolarHBondContact OE1-OH 3.11Å; Q1020-M1046 PolarHBondContact NE2-SD 2.99Å
1021C92.5Very high89.6Confident2 Ų241.4 Ų41.41%0.01422%0.215CC..Hα-helixtrans-57.9-43.2171-72.60000111.2I1009 A1017 A1018 I1019 L1024 V1025 T1232I1009-C1021 VanDerWaalsContact CG2-SG 3.57Å; A1017-C1021 PolarHBondContact O-N 3.45Å; A1017-C1021 PolarHBondContact O-SG 2.98Å; A1018-C1021 WeakPolarHBondContact O-CB 3.5Å; A1018-C1021 PolarHBondContact O-N 3.44Å; I1019-C1021 VanDerWaalsContact C-N 3.34Å; I1019-C1021 PolarHBondContact O-N 3.42Å; C1021-L1024 PolarHBondContact O-N 3.22Å; C1021-V1025 WeakPolarHBondContact O-CB 3.34Å; C1021-V1025 VanDerWaalsContact O-CG2 3.27Å; C1021-V1025 WeakPolarHBondContact O-CG2 3.23Å; C1021-V1025 PolarHBondContact O-N 3.2Å; C1021-T1232 HydrophobicContact CB-CG2 4.35Å
1022F92.3Very high89.5Confident133 Ų13339.5 Ų39.558%0.58320%0.202SC*.Hα-helixtrans-62.3-43.6176.4-178.8-96.6000112.1A1018 I1019 Q1020 L1026A1018-F1022 PolarHBondContact O-N 2.86Å; I1019-F1022 WeakPolarHBondContact O-CB 3.3Å; I1019-F1022 PolarHBondContact O-N 2.96Å; Q1020-F1022 VanDerWaalsContact C-N 3.31Å; Q1020-F1022 PolarHBondContact O-N 2.85Å; F1022-L1026 HydrophobicContact CE1-CD1 4.14Å; F1022-L1026 HydrophobicContact CZ-CD1 4.45Å; F1022-L1026 VanDerWaalsContact O-CB 3.3Å; F1022-L1026 WeakPolarHBondContact O-CB 3.31Å; F1022-L1026 PolarHBondContact O-N 3.22Å
1023W93.1Very high89.3Confident48 Ų4842.4 Ų42.418%0.18222%0.219CC..Hα-helixtrans-61.8-43.6173.1-73.7119.4000112.5I1019 Q1020 L1026 F1027 I1038 Y1042 Y1045I1019-W1023 PolarHBondContact O-N 3.01Å; Q1020-W1023 PolarHBondContact O-N 3.17Å; W1023-L1026 HydrophobicContact CE3-CD2 4.47Å; W1023-L1026 PolarHBondContact O-N 2.83Å; W1023-F1027 HydrophobicContact CB-CE2 3.96Å; W1023-F1027 HydrophobicContact CB-CZ 4.29Å; W1023-F1027 HydrophobicContact CD2-CZ 4.35Å; W1023-F1027 HydrophobicContact CE3-CE1 4Å; W1023-F1027 AromaticContact CE3-CZ 3.72Å; W1023-F1027 HydrophobicContact CE3-CZ 3.72Å; W1023-F1027 HydrophobicContact CZ3-CZ 4.47Å; W1023-F1027 WeakPolarHBondContact O-CD2 3.42Å; W1023-F1027 WeakPolarHBondContact O-CG 3.35Å; W1023-F1027 PolarHBondContact O-N 3.45Å; W1023-I1038 HydrophobicContact CH2-CG2 4.49Å; W1023-I1038 HydrophobicContact CZ3-CG2 3.74Å; W1023-Y1042 HydrophobicContact CB-CD2 4.43Å; W1023-Y1042 HydrophobicContact CB-CE2 4.15Å; W1023-Y1042 AromaticContact CD1-CE2 3.97Å; W1023-Y1042 AromaticContact CD2-CD2 3.94Å; W1023-Y1042 HydrophobicContact CD2-CD2 3.94Å; W1023-Y1042 HydrophobicContact CD2-CE2 4.4Å; W1023-Y1042 HydrophobicContact CE3-CD2 4.38Å; W1023-Y1042 AromaticContact CG-CD2 3.96Å; W1023-Y1042 HydrophobicContact CG-CD2 3.96Å; W1023-Y1042 AromaticContact CG-CE2 3.93Å; W1023-Y1042 HydrophobicContact CG-CE2 3.93Å; W1023-Y1045 AromaticContact NE1-CE1 3.87Å
1024L93.5Very high89.4Confident2 Ų246.3 Ų46.31%0.0124%0.236CC..Hα-helixtrans-62.6-44.4178.8-177.959.4000112.1M1002 I1005 I1009 Q1020 C1021 F1027 A1028 L1228 L1303M1002-L1024 HydrophobicContact CB-CD1 4.01Å; M1002-L1024 HydrophobicContact CG-CD1 4.44Å; M1002-L1024 WeakPolarHBondContact O-CD1 3.17Å; I1005-L1024 HydrophobicContact CG2-CB 4.05Å; I1005-L1024 HydrophobicContact CG2-CD1 4.41Å; I1009-L1024 HydrophobicContact CD1-CB 4.32Å; I1009-L1024 HydrophobicContact CD1-CD2 3.7Å; Q1020-L1024 WeakPolarHBondContact O-CB 3.23Å; Q1020-L1024 PolarHBondContact O-N 3.5Å; C1021-L1024 PolarHBondContact O-N 3.22Å; L1024-F1027 PolarHBondContact O-N 3.08Å; L1024-A1028 VanDerWaalsContact O-CB 3.22Å; L1024-A1028 WeakPolarHBondContact O-CB 3.42Å; L1024-A1028 PolarHBondContact O-N 3.21Å; L1024-L1228 HydrophobicContact CD2-CD2 4.33Å; L1024-L1228 HydrophobicContact CG-CD2 4.04Å; L1024-L1303 HydrophobicContact CD2-CD2 3.9Å
1025V92.1Very high89.5Confident43 Ų4346.1 Ų46.126%0.26124%0.235SC..Hα-helixtrans-59.2-46.4172.4169.60000110.7C1021 F1027 A1028 L1029 L1228C1021-V1025 WeakPolarHBondContact O-CB 3.34Å; C1021-V1025 VanDerWaalsContact O-CG2 3.27Å; C1021-V1025 WeakPolarHBondContact O-CG2 3.23Å; C1021-V1025 PolarHBondContact O-N 3.2Å; V1025-F1027 VanDerWaalsContact C-N 3.33Å; V1025-F1027 PolarHBondContact O-N 3.25Å; V1025-A1028 PolarHBondContact O-N 3.42Å; V1025-L1029 HydrophobicContact CG1-CD1 3.84Å; V1025-L1029 WeakPolarHBondContact O-CB 3.41Å; V1025-L1029 WeakPolarHBondContact O-CG 3.14Å; V1025-L1029 PolarHBondContact O-N 2.81Å; V1025-L1029 VanDerWaalsContact O-N 3.16Å; V1025-L1228 HydrophobicContact CG2-CB 4.17Å; V1025-L1228 HydrophobicContact CG2-CD2 4.48Å
1026L91.8Very high89.6Confident34 Ų3448.8 Ų48.818%0.17824%0.24CC..Hα-helixtrans-64.6-34.5179.9-173.4150.4000112.4F1022 W1023 N1030 F1034 I1038F1022-L1026 HydrophobicContact CE1-CD1 4.14Å; F1022-L1026 HydrophobicContact CZ-CD1 4.45Å; F1022-L1026 VanDerWaalsContact O-CB 3.3Å; F1022-L1026 WeakPolarHBondContact O-CB 3.31Å; F1022-L1026 PolarHBondContact O-N 3.22Å; W1023-L1026 HydrophobicContact CE3-CD2 4.47Å; W1023-L1026 PolarHBondContact O-N 2.83Å; L1026-N1030 WeakPolarHBondContact O-CB 3.48Å; L1026-N1030 PolarHBondContact O-ND2 3.41Å; L1026-F1034 HydrophobicContact CD2-CE1 4.26Å; L1026-I1038 HydrophobicContact CD2-CD1 4.04Å; L1026-I1038 HydrophobicContact CD2-CG2 4.31Å
1027F91.9Very high89.5Confident4 Ų456.6 Ų56.62%0.01827%0.268CS..Hα-helixtrans-78.9-42.2176.3-59-31.7000112.9M1002 I1005 W1023 L1024 V1025 V1035 I1038 W1039 Y1042M1002-F1027 HydrophobicContact CG-CB 4.27Å; M1002-F1027 HydrophobicContact SD-CB 3.99Å; I1005-F1027 HydrophobicContact CD1-CD2 4.16Å; I1005-F1027 HydrophobicContact CD1-CE2 4.07Å; W1023-F1027 HydrophobicContact CB-CE2 3.96Å; W1023-F1027 HydrophobicContact CB-CZ 4.29Å; W1023-F1027 HydrophobicContact CD2-CZ 4.35Å; W1023-F1027 HydrophobicContact CE3-CE1 4Å; W1023-F1027 AromaticContact CE3-CZ 3.72Å; W1023-F1027 HydrophobicContact CE3-CZ 3.72Å; W1023-F1027 HydrophobicContact CZ3-CZ 4.47Å; W1023-F1027 WeakPolarHBondContact O-CD2 3.42Å; W1023-F1027 WeakPolarHBondContact O-CG 3.35Å; W1023-F1027 PolarHBondContact O-N 3.45Å; L1024-F1027 PolarHBondContact O-N 3.08Å; V1025-F1027 VanDerWaalsContact C-N 3.33Å; V1025-F1027 PolarHBondContact O-N 3.25Å; F1027-V1035 HydrophobicContact CB-CG1 4.46Å; F1027-V1035 HydrophobicContact CD1-CG1 3.83Å; F1027-V1035 HydrophobicContact CD1-CG2 4.44Å; F1027-V1035 HydrophobicContact CE1-CG1 4.45Å; F1027-V1035 HydrophobicContact CG-CG1 4.31Å; F1027-I1038 HydrophobicContact CE1-CG2 4.19Å; F1027-W1039 HydrophobicContact CD1-CZ3 4.42Å; F1027-W1039 AromaticContact CD2-CZ3 3.88Å; F1027-W1039 HydrophobicContact CD2-CZ3 3.88Å; F1027-W1039 HydrophobicContact CE1-CE3 4.27Å; F1027-W1039 HydrophobicContact CE1-CZ3 4.36Å; F1027-W1039 HydrophobicContact CE2-CE3 4.36Å; F1027-W1039 AromaticContact CE2-CZ3 3.8Å; F1027-W1039 HydrophobicContact CE2-CZ3 3.8Å; F1027-W1039 HydrophobicContact CG-CZ3 4.21Å; F1027-W1039 HydrophobicContact CZ-CE3 4.16Å; F1027-W1039 HydrophobicContact CZ-CZ3 4.06Å; F1027-Y1042 HydrophobicContact CE2-CD1 4.45Å; F1027-Y1042 AromaticContact CE2-CD2 3.99Å; F1027-Y1042 HydrophobicContact CE2-CD2 3.99Å; F1027-Y1042 HydrophobicContact CE2-CE2 4.19Å; F1027-Y1042 HydrophobicContact CE2-CG 4.14Å; F1027-Y1042 HydrophobicContact CZ-CD1 4.47Å; F1027-Y1042 AromaticContact CZ-CD2 3.82Å; F1027-Y1042 HydrophobicContact CZ-CD2 3.82Å; F1027-Y1042 HydrophobicContact CZ-CE2 4.47Å; F1027-Y1042 AromaticContact CZ-CG 3.83Å; F1027-Y1042 HydrophobicContact CZ-CG 3.83Å
1028A89.7Confident89.6Confident22 Ų2258.1 Ų58.118%0.18228%0.276CS..Hα-helixtrans-74.8-30.1-173.200000114.2M1002 L1024 V1025 L1228M1002-A1028 HydrophobicContact SD-CB 4.39Å; L1024-A1028 VanDerWaalsContact O-CB 3.22Å; L1024-A1028 WeakPolarHBondContact O-CB 3.42Å; L1024-A1028 PolarHBondContact O-N 3.21Å; V1025-A1028 PolarHBondContact O-N 3.42Å; A1028-L1228 HydrophobicContact CB-CD1 3.77Å; A1028-L1228 HydrophobicContact CB-CD2 4.39Å
1029L87.2Confident89.8Confident97 Ų9756.7 Ų56.751%0.50826%0.264SS..SBendtrans-90-8.8-178.9-61.4-178.4000114.3V1025 L1228V1025-L1029 HydrophobicContact CG1-CD1 3.84Å; V1025-L1029 WeakPolarHBondContact O-CB 3.41Å; V1025-L1029 WeakPolarHBondContact O-CG 3.14Å; V1025-L1029 PolarHBondContact O-N 2.81Å; V1025-L1029 VanDerWaalsContact O-N 3.16Å; L1029-L1228 HydrophobicContact CD2-CD1 3.95Å; L1029-L1228 HydrophobicContact CG-CD1 4.13Å
1030N85.7Confident89.7Confident74 Ų7455.5 Ų55.540%0.39626%0.26SS..SBendtrans-108.5157.5-173-80-63.8000114.3L1026 F1034 V1035L1026-N1030 WeakPolarHBondContact O-CB 3.48Å; L1026-N1030 PolarHBondContact O-ND2 3.41Å; N1030-F1034 HydrophobicContact CB-CD1 3.68Å; N1030-F1034 HydrophobicContact CB-CE1 4.3Å; N1030-F1034 HydrophobicContact CB-CG 4.49Å; N1030-V1035 HydrophobicContact CB-CG2 4.35Å
1031K81Confident89.8Confident153 Ų15362.1 Ų62.167%0.66529%0.289SS*.  trans-67141.8176.7-65.1-171.3177.7-171.60111.5V1033 F1034 V1035K1031-V1033 PolarHBondContact O-N 3.41Å; K1031-F1034 WeakPolarHBondContact O-CB 3.46Å; K1031-F1034 PolarHBondContact O-N 3.02Å; K1031-V1035 PolarHBondContact O-N 3.04Å
1032R85.3Confident89.8Confident35 Ų3562 Ų6213%0.13229%0.288CS..Hα-helixtrans-44.9-40.3179.6-170.8-179.6-176.4102.90.6114.3L998 F1034 V1035 R1036 E1123 N1127L998-R1032 HydrophobicContact CD2-CG 4.18Å; R1032-F1034 VanDerWaalsContact C-N 3.32Å; R1032-F1034 PolarHBondContact O-N 2.72Å; R1032-V1035 PolarHBondContact O-N 3.32Å; R1032-R1036 WeakPolarHBondContact O-CB 3.34Å; R1032-R1036 PolarHBondContact O-N 3.28Å; R1032-E1123 IonicContact CZ-OE1 2.69Å; R1032-E1123 IonicContact CZ-OE2 2.93Å; R1032-E1123 IonicContact NE-OE1 3.56Å; R1032-E1123 PolarHBondContact NE-OE1 3.27Å; R1032-E1123 IonicContact NE-OE2 2.62Å; R1032-E1123 IonicContact NH2-OE1 2.69Å; R1032-E1123 PolarHBondContact NH2-OE1 3.37Å; R1032-E1123 IonicContact NH2-OE2 2.67Å; R1032-E1123 PolarHBondContact NH2-OE2 2.99Å; R1032-N1127 PolarHBondContact NH2-ND2 3.14Å
1033V83.7Confident89.8Confident61 Ų6156.2 Ų56.237%0.3726%0.264SS..Hα-helixtrans-62.4-34.5179.2-179.50000113K1031K1031-V1033 PolarHBondContact O-N 3.41Å
1034F88.7Confident89.8Confident95 Ų9558.2 Ų58.242%0.41728%0.277SS..Hα-helixtrans-73.8-48.2176.1-178.9-102.8000110.6L1026 N1030 K1031 R1032 R1036 R1037 I1038L1026-F1034 HydrophobicContact CD2-CE1 4.26Å; N1030-F1034 HydrophobicContact CB-CD1 3.68Å; N1030-F1034 HydrophobicContact CB-CE1 4.3Å; N1030-F1034 HydrophobicContact CB-CG 4.49Å; K1031-F1034 WeakPolarHBondContact O-CB 3.46Å; K1031-F1034 PolarHBondContact O-N 3.02Å; R1032-F1034 VanDerWaalsContact C-N 3.32Å; R1032-F1034 PolarHBondContact O-N 2.72Å; F1034-R1036 VanDerWaalsContact C-N 3.3Å; F1034-R1036 PolarHBondContact O-N 3.03Å; F1034-R1037 WeakPolarHBondContact O-CB 3.47Å; F1034-R1037 PolarHBondContact O-N 3.5Å; F1034-I1038 HydrophobicContact CD1-CD1 3.99Å; F1034-I1038 HydrophobicContact CE1-CD1 3.4Å; F1034-I1038 HydrophobicContact CE2-CD1 4.06Å; F1034-I1038 HydrophobicContact CZ-CD1 3.44Å; F1034-I1038 VanDerWaalsContact CZ-CD1 3.44Å; F1034-I1038 PolarHBondContact O-N 3.01Å
1035V89.9Confident89.7Confident1 Ų160.8 Ų60.81%0.00629%0.287CS..Hα-helixtrans-55.5-44.4176.4-178.30000111.2L998 F1027 N1030 K1031 R1032 R1037 I1038 W1039L998-V1035 HydrophobicContact CD1-CG1 3.89Å; F1027-V1035 HydrophobicContact CB-CG1 4.46Å; F1027-V1035 HydrophobicContact CD1-CG1 3.83Å; F1027-V1035 HydrophobicContact CD1-CG2 4.44Å; F1027-V1035 HydrophobicContact CE1-CG1 4.45Å; F1027-V1035 HydrophobicContact CG-CG1 4.31Å; N1030-V1035 HydrophobicContact CB-CG2 4.35Å; K1031-V1035 PolarHBondContact O-N 3.04Å; R1032-V1035 PolarHBondContact O-N 3.32Å; V1035-R1037 PolarHBondContact O-N 3.21Å; V1035-I1038 PolarHBondContact O-N 3.28Å; V1035-I1038 VanDerWaalsContact O-N 3.12Å; V1035-W1039 HydrophobicContact CG1-CE3 3.76Å; V1035-W1039 HydrophobicContact CG1-CZ3 4.09Å; V1035-W1039 WeakPolarHBondContact O-CB 3.28Å; V1035-W1039 PolarHBondContact O-N 3.09Å
1036R89.5Confident89.7Confident80 Ų8058.7 Ų58.730%0.30227%0.274SS..Hα-helixtrans-55.3-32.6176.1179.2169.665178.7-6.4113.8R1032 F1034 F1120R1032-R1036 WeakPolarHBondContact O-CB 3.34Å; R1032-R1036 PolarHBondContact O-N 3.28Å; F1034-R1036 VanDerWaalsContact C-N 3.3Å; F1034-R1036 PolarHBondContact O-N 3.03Å; R1036-F1120 HydrophobicContact CB-CD1 4.11Å; R1036-F1120 HydrophobicContact CB-CE1 4.1Å; R1036-F1120 HydrophobicContact CB-CG 4.43Å; R1036-F1120 HydrophobicContact CB-CZ 4.4Å; R1036-F1120 HydrophobicContact CG-CB 4.13Å; R1036-F1120 HydrophobicContact CG-CD1 3.87Å; R1036-F1120 HydrophobicContact CG-CE1 4.38Å; R1036-F1120 HydrophobicContact CG-CG 3.98Å
1037R89Confident89.7Confident191 Ų19158 Ų5872%0.72127%0.273SS*.Hα-helixtrans-77.5-39.8177.5-68.7180177.8176-0112F1034 V1035F1034-R1037 WeakPolarHBondContact O-CB 3.47Å; F1034-R1037 PolarHBondContact O-N 3.5Å; V1035-R1037 PolarHBondContact O-N 3.21Å
1038I91.7Very high89.7Confident33 Ų3362.9 Ų62.917%0.16930%0.298CS..Hα-helixtrans-78.7-26.4-176.6-68.7179000112.3W1023 L1026 F1027 F1034 V1035 V1040 F1041 Y1042W1023-I1038 HydrophobicContact CH2-CG2 4.49Å; W1023-I1038 HydrophobicContact CZ3-CG2 3.74Å; L1026-I1038 HydrophobicContact CD2-CD1 4.04Å; L1026-I1038 HydrophobicContact CD2-CG2 4.31Å; F1027-I1038 HydrophobicContact CE1-CG2 4.19Å; F1034-I1038 HydrophobicContact CD1-CD1 3.99Å; F1034-I1038 HydrophobicContact CE1-CD1 3.4Å; F1034-I1038 HydrophobicContact CE2-CD1 4.06Å; F1034-I1038 HydrophobicContact CZ-CD1 3.44Å; F1034-I1038 VanDerWaalsContact CZ-CD1 3.44Å; F1034-I1038 PolarHBondContact O-N 3.01Å; V1035-I1038 PolarHBondContact O-N 3.28Å; V1035-I1038 VanDerWaalsContact O-N 3.12Å; I1038-V1040 PolarHBondContact O-N 2.96Å; I1038-F1041 PolarHBondContact O-N 2.99Å; I1038-Y1042 PolarHBondContact O-N 3.22Å
1039W93.1Very high89.8Confident1 Ų162.7 Ų62.70%0.00429%0.294CS..Hα-helixtrans-53.9-28.7-175.5-156-96000115.4L998 T1001 F1027 V1035 Y1042 V1043 A1113 Q1116 F1120L998-W1039 HydrophobicContact CD1-CE3 4.49Å; L998-W1039 HydrophobicContact CD1-CH2 4.2Å; L998-W1039 HydrophobicContact CD1-CZ3 3.87Å; T1001-W1039 HydrophobicContact CG2-CH2 4.44Å; T1001-W1039 HydrophobicContact CG2-CZ2 4.04Å; T1001-W1039 WeakPolarHBondContact OG1-CH2 3.4Å; F1027-W1039 HydrophobicContact CD1-CZ3 4.42Å; F1027-W1039 AromaticContact CD2-CZ3 3.88Å; F1027-W1039 HydrophobicContact CD2-CZ3 3.88Å; F1027-W1039 HydrophobicContact CE1-CE3 4.27Å; F1027-W1039 HydrophobicContact CE1-CZ3 4.36Å; F1027-W1039 HydrophobicContact CE2-CE3 4.36Å; F1027-W1039 AromaticContact CE2-CZ3 3.8Å; F1027-W1039 HydrophobicContact CE2-CZ3 3.8Å; F1027-W1039 HydrophobicContact CG-CZ3 4.21Å; F1027-W1039 HydrophobicContact CZ-CE3 4.16Å; F1027-W1039 HydrophobicContact CZ-CZ3 4.06Å; V1035-W1039 HydrophobicContact CG1-CE3 3.76Å; V1035-W1039 HydrophobicContact CG1-CZ3 4.09Å; V1035-W1039 WeakPolarHBondContact O-CB 3.28Å; V1035-W1039 PolarHBondContact O-N 3.09Å; W1039-Y1042 PolarHBondContact O-N 3.05Å; W1039-V1043 PolarHBondContact O-N 3.36Å; W1039-V1043 VanDerWaalsContact O-N 3.08Å; W1039-A1113 HydrophobicContact CZ2-CB 4Å; W1039-A1113 PolarHBondContact NE1-O 3.26Å; W1039-Q1116 HydrophobicContact CZ2-CB 4.08Å; W1039-Q1116 HydrophobicContact CZ2-CG 3.9Å; W1039-F1120 HydrophobicContact CB-CD2 4.08Å; W1039-F1120 HydrophobicContact CB-CE2 3.98Å; W1039-F1120 AromaticContact CD1-CD2 3.94Å; W1039-F1120 HydrophobicContact CD2-CD2 4.43Å; W1039-F1120 AromaticContact CD2-CE2 3.81Å; W1039-F1120 HydrophobicContact CD2-CE2 3.81Å; W1039-F1120 HydrophobicContact CE3-CE2 4.25Å; W1039-F1120 AromaticContact CG-CD2 3.87Å; W1039-F1120 HydrophobicContact CG-CD2 3.87Å; W1039-F1120 AromaticContact CG-CE2 3.67Å; W1039-F1120 HydrophobicContact CG-CE2 3.67Å
1040V90.9Very high90Very high55 Ų5558.1 Ų58.133%0.33327%0.27SS..Hα-helixtrans-63.2-43176.9-175.80000111I1038 V1043 I1044 L1117I1038-V1040 PolarHBondContact O-N 2.96Å; V1040-V1043 PolarHBondContact O-N 3.26Å; V1040-I1044 HydrophobicContact CG1-CD1 4.12Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.46Å; V1040-I1044 PolarHBondContact O-N 3.34Å; V1040-I1044 VanDerWaalsContact O-N 3.16Å; V1040-L1117 HydrophobicContact CG2-CD1 3.96Å
1041F92.8Very high90.3Very high141 Ų14155.4 Ų55.462%0.61826%0.257SS*.Hα-helixtrans-68.1-36.7178.1-55.7-69.6000111.4I1038 I1044 Y1045I1038-F1041 PolarHBondContact O-N 2.99Å; F1041-I1044 PolarHBondContact O-N 3.06Å; F1041-Y1045 WeakPolarHBondContact O-CB 3.43Å; F1041-Y1045 PolarHBondContact O-N 3.43Å
1042Y93Very high90.7Very high0 Ų053.1 Ų53.10%025%0.251CS..Hα-helixtrans-64.1-41.1176-175.1-100.7000112.8I1005 Q1020 W1023 F1027 I1038 W1039 Y1045 M1046 V1109 A1113I1005-Y1042 HydrophobicContact CD1-CE1 4.14Å; I1005-Y1042 WeakPolarHBondContact CD1-OH 3.5Å; I1005-Y1042 WeakPolarHBondContact CG1-OH 3.35Å; Q1020-Y1042 PolarHBondContact OE1-OH 3.11Å; W1023-Y1042 HydrophobicContact CB-CD2 4.43Å; W1023-Y1042 HydrophobicContact CB-CE2 4.15Å; W1023-Y1042 AromaticContact CD1-CE2 3.97Å; W1023-Y1042 AromaticContact CD2-CD2 3.94Å; W1023-Y1042 HydrophobicContact CD2-CD2 3.94Å; W1023-Y1042 HydrophobicContact CD2-CE2 4.4Å; W1023-Y1042 HydrophobicContact CE3-CD2 4.38Å; W1023-Y1042 AromaticContact CG-CD2 3.96Å; W1023-Y1042 HydrophobicContact CG-CD2 3.96Å; W1023-Y1042 AromaticContact CG-CE2 3.93Å; W1023-Y1042 HydrophobicContact CG-CE2 3.93Å; F1027-Y1042 HydrophobicContact CE2-CD1 4.45Å; F1027-Y1042 AromaticContact CE2-CD2 3.99Å; F1027-Y1042 HydrophobicContact CE2-CD2 3.99Å; F1027-Y1042 HydrophobicContact CE2-CE2 4.19Å; F1027-Y1042 HydrophobicContact CE2-CG 4.14Å; F1027-Y1042 HydrophobicContact CZ-CD1 4.47Å; F1027-Y1042 AromaticContact CZ-CD2 3.82Å; F1027-Y1042 HydrophobicContact CZ-CD2 3.82Å; F1027-Y1042 HydrophobicContact CZ-CE2 4.47Å; F1027-Y1042 AromaticContact CZ-CG 3.83Å; F1027-Y1042 HydrophobicContact CZ-CG 3.83Å; I1038-Y1042 PolarHBondContact O-N 3.22Å; W1039-Y1042 PolarHBondContact O-N 3.05Å; Y1042-Y1045 HydrophobicContact CD2-CD1 4.19Å; Y1042-Y1045 HydrophobicContact CE2-CD1 4.17Å; Y1042-Y1045 HydrophobicContact CE2-CE1 4.39Å; Y1042-Y1045 WeakPolarHBondContact O-CB 3.46Å; Y1042-Y1045 PolarHBondContact O-N 3.2Å; Y1042-M1046 HydrophobicContact CD1-CG 4.42Å; Y1042-M1046 HydrophobicContact CE1-CG 3.88Å; Y1042-M1046 HydrophobicContact CE2-CG 4.36Å; Y1042-M1046 HydrophobicContact CE2-SD 4.48Å; Y1042-M1046 WeakPolarHBondContact O-CG 3.3Å; Y1042-M1046 PolarHBondContact O-N 3.27Å; Y1042-V1109 HydrophobicContact CE1-CG1 4.16Å; Y1042-V1109 WeakPolarHBondContact OH-CG1 3.44Å; Y1042-A1113 HydrophobicContact CD1-CB 4.13Å; Y1042-A1113 HydrophobicContact CE1-CB 4.03Å
1043V92.8Very high91Very high11 Ų1151.6 Ų51.67%0.06725%0.245CC..Hα-helixtrans-66.7-38.2175174.50000111.6W1039 V1040 A1047 A1113 L1117W1039-V1043 PolarHBondContact O-N 3.36Å; W1039-V1043 VanDerWaalsContact O-N 3.08Å; V1040-V1043 PolarHBondContact O-N 3.26Å; V1043-A1047 VanDerWaalsContact O-CB 3.23Å; V1043-A1047 WeakPolarHBondContact O-CB 3.33Å; V1043-A1047 PolarHBondContact O-N 3.38Å; V1043-A1113 HydrophobicContact CG2-CB 3.88Å; V1043-A1113 WeakPolarHBondContact CG2-O 3.46Å; V1043-L1117 HydrophobicContact CB-CD2 4.21Å; V1043-L1117 HydrophobicContact CG1-CD2 4.13Å; V1043-L1117 HydrophobicContact CG2-CB 4.2Å; V1043-L1117 HydrophobicContact CG2-CD2 4.18Å
1044I91.8Very high91.3Very high89 Ų8948.8 Ų48.846%0.45623%0.228SC..Hα-helixtrans-66.1-43.2175.2-67.6166.9000110.8V1040 F1041 A1047 I1048V1040-I1044 HydrophobicContact CG1-CD1 4.12Å; V1040-I1044 WeakPolarHBondContact O-CG1 3.46Å; V1040-I1044 PolarHBondContact O-N 3.34Å; V1040-I1044 VanDerWaalsContact O-N 3.16Å; F1041-I1044 PolarHBondContact O-N 3.06Å; I1044-A1047 PolarHBondContact O-N 3.48Å; I1044-I1048 HydrophobicContact CG2-CD1 3.8Å; I1044-I1048 WeakPolarHBondContact O-CG1 3.38Å; I1044-I1048 PolarHBondContact O-N 3.39Å
1045Y92.7Very high91.4Very high56 Ų5649 Ų4922%0.2223%0.23CC..Hα-helixtrans-54.5-55.2173.9165-106.4000111.3W1023 F1041 Y1042 A1047 I1048 L1049W1023-Y1045 AromaticContact NE1-CE1 3.87Å; F1041-Y1045 WeakPolarHBondContact O-CB 3.43Å; F1041-Y1045 PolarHBondContact O-N 3.43Å; Y1042-Y1045 HydrophobicContact CD2-CD1 4.19Å; Y1042-Y1045 HydrophobicContact CE2-CD1 4.17Å; Y1042-Y1045 HydrophobicContact CE2-CE1 4.39Å; Y1042-Y1045 WeakPolarHBondContact O-CB 3.46Å; Y1042-Y1045 PolarHBondContact O-N 3.2Å; Y1045-A1047 VanDerWaalsContact C-N 3.32Å; Y1045-A1047 PolarHBondContact O-N 3.25Å; Y1045-I1048 PolarHBondContact O-N 2.98Å; Y1045-L1049 HydrophobicContact CE1-CD2 4.18Å; Y1045-L1049 VanDerWaalsContact O-CB 3.27Å; Y1045-L1049 WeakPolarHBondContact O-CB 3.47Å; Y1045-L1049 PolarHBondContact O-N 3.27Å
1046M92.4Very high91.2Very high0 Ų050.3 Ų50.30%024%0.238CC..Hα-helixtrans-63.2-35.2178.5-66.8-56.1-58.200113.2Q1020 Y1042 I1048 L1049 Y1050 D1106 V1109 L1110Q1020-M1046 PolarHBondContact NE2-SD 2.99Å; Y1042-M1046 HydrophobicContact CD1-CG 4.42Å; Y1042-M1046 HydrophobicContact CE1-CG 3.88Å; Y1042-M1046 HydrophobicContact CE2-CG 4.36Å; Y1042-M1046 HydrophobicContact CE2-SD 4.48Å; Y1042-M1046 WeakPolarHBondContact O-CG 3.3Å; Y1042-M1046 PolarHBondContact O-N 3.27Å; M1046-I1048 VanDerWaalsContact C-N 3.31Å; M1046-I1048 PolarHBondContact O-N 3.3Å; M1046-L1049 HydrophobicContact CE-CD2 4.3Å; M1046-L1049 HydrophobicContact SD-CD2 4.13Å; M1046-Y1050 PolarHBondContact O-N 3.39Å; M1046-Y1050 VanDerWaalsContact O-N 3.09Å; M1046-D1106 HydrophobicContact CE-CB 4.03Å; M1046-V1109 HydrophobicContact CE-CB 4.17Å; M1046-V1109 HydrophobicContact CE-CG1 3.92Å; M1046-V1109 HydrophobicContact CG-CG1 4.32Å; M1046-V1109 HydrophobicContact SD-CG1 4.26Å; M1046-L1110 HydrophobicContact CB-CB 4.22Å; M1046-L1110 HydrophobicContact CB-CD1 3.93Å
1047A90.9Very high91.1Very high19 Ų1947.2 Ų47.216%0.15723%0.227CC..Hα-helixtrans-70.5-24.3179.200000113.6V1043 I1044 Y1045 P1051 L1110V1043-A1047 VanDerWaalsContact O-CB 3.23Å; V1043-A1047 WeakPolarHBondContact O-CB 3.33Å; V1043-A1047 PolarHBondContact O-N 3.38Å; I1044-A1047 PolarHBondContact O-N 3.48Å; Y1045-A1047 VanDerWaalsContact C-N 3.32Å; Y1045-A1047 PolarHBondContact O-N 3.25Å; A1047-P1051 WeakPolarHBondContact O-CD 3.5Å; A1047-L1110 HydrophobicContact CB-CD1 4.03Å
1048I92.4Very high91Very high106 Ų10638.9 Ų38.954%0.54420%0.197SC..Hα-helixtrans-90.2-39.4173.3-65.2169.5000110.7I1044 Y1045 M1046 P1051 L1052I1044-I1048 HydrophobicContact CG2-CD1 3.8Å; I1044-I1048 WeakPolarHBondContact O-CG1 3.38Å; I1044-I1048 PolarHBondContact O-N 3.39Å; Y1045-I1048 PolarHBondContact O-N 2.98Å; M1046-I1048 VanDerWaalsContact C-N 3.31Å; M1046-I1048 PolarHBondContact O-N 3.3Å; I1048-P1051 WeakPolarHBondContact O-CD 3.47Å; I1048-L1052 VanDerWaalsContact O-CB 3.27Å; I1048-L1052 WeakPolarHBondContact O-CB 3.42Å; I1048-L1052 PolarHBondContact O-N 3.17Å; I1048-L1052 VanDerWaalsContact O-N 3.17Å
1049L91.4Very high90.5Very high18 Ų1838.2 Ų38.29%0.09420%0.199CC..Hα-helixtrans-60.4-47.6179.8-177.666.9000111.7L1016 Y1045 M1046 L1052 Q1053L1016-L1049 HydrophobicContact CD1-CD1 4.28Å; L1016-L1049 HydrophobicContact CD2-CD1 3.94Å; L1016-L1049 HydrophobicContact CD2-CD2 4.39Å; Y1045-L1049 HydrophobicContact CE1-CD2 4.18Å; Y1045-L1049 VanDerWaalsContact O-CB 3.27Å; Y1045-L1049 WeakPolarHBondContact O-CB 3.47Å; Y1045-L1049 PolarHBondContact O-N 3.27Å; M1046-L1049 HydrophobicContact CE-CD2 4.3Å; M1046-L1049 HydrophobicContact SD-CD2 4.13Å; L1049-L1052 PolarHBondContact O-N 3.45Å; L1049-L1052 VanDerWaalsContact O-N 3.12Å; L1049-Q1053 VanDerWaalsContact O-CB 3.24Å; L1049-Q1053 WeakPolarHBondContact O-CB 3.49Å; L1049-Q1053 PolarHBondContact O-N 3.18Å
1050Y91.5Very high90Very high2 Ų242.1 Ų42.11%0.00822%0.219CC..Hα-helixtrans-59.8-47.6-174.9174.5-100.9000113.5V850 M1046 F1054 L1103 D1106 F1107V850-Y1050 HydrophobicContact CG1-CD1 4.22Å; V850-Y1050 HydrophobicContact CG1-CE1 3.91Å; M1046-Y1050 PolarHBondContact O-N 3.39Å; M1046-Y1050 VanDerWaalsContact O-N 3.09Å; Y1050-F1054 PolarHBondContact O-N 3.05Å; Y1050-L1103 HydrophobicContact CD2-CD2 4.13Å; Y1050-L1103 HydrophobicContact CE2-CB 4.3Å; Y1050-L1103 HydrophobicContact CE2-CD2 4.04Å; Y1050-L1103 WeakPolarHBondContact CE2-O 3.49Å; Y1050-D1106 HydrophobicContact CD2-CB 4.23Å; Y1050-F1107 HydrophobicContact CD2-CB 4.37Å; Y1050-F1107 HydrophobicContact CE1-CD2 4.47Å; Y1050-F1107 HydrophobicContact CE2-CB 3.86Å; Y1050-F1107 HydrophobicContact CE2-CD2 4.49Å
1051P91.3Very high89.3Confident17 Ų1740.9 Ų40.911%0.1121%0.212CC..Hα-helixtrans-62.7-43.1169.4-24.234.9000113.8V850 A1047 I1048 Q1053 F1054 F1055V850-P1051 HydrophobicContact CG1-CB 4.25Å; V850-P1051 HydrophobicContact CG1-CG 4.36Å; A1047-P1051 WeakPolarHBondContact O-CD 3.5Å; I1048-P1051 WeakPolarHBondContact O-CD 3.47Å; P1051-Q1053 VanDerWaalsContact C-N 3.33Å; P1051-Q1053 PolarHBondContact O-N 2.92Å; P1051-F1054 PolarHBondContact O-N 2.95Å; P1051-F1055 HydrophobicContact CB-CE2 4.36Å; P1051-F1055 WeakPolarHBondContact O-CD2 3.35Å; P1051-F1055 PolarHBondContact O-N 2.96Å
1052L90.6Very high88.2Confident104 Ų10435 Ų3555%0.54519%0.188SC..Hα-helixtrans-62.8-39.4-177.9-170.3155.9000112.1I1048 L1049 F1055 S1056I1048-L1052 VanDerWaalsContact O-CB 3.27Å; I1048-L1052 WeakPolarHBondContact O-CB 3.42Å; I1048-L1052 PolarHBondContact O-N 3.17Å; I1048-L1052 VanDerWaalsContact O-N 3.17Å; L1049-L1052 PolarHBondContact O-N 3.45Å; L1049-L1052 VanDerWaalsContact O-N 3.12Å; L1052-F1055 WeakPolarHBondContact O-CB 3.4Å; L1052-F1055 PolarHBondContact O-N 3.41Å; L1052-S1056 PolarHBondContact O-N 3.43Å
1053Q90.7Very high86.9Confident3 Ų338.1 Ų38.11%0.01421%0.205CC..Hα-helixtrans-66.7-41.3175.4-171.8172-28.900111.4R1012 L1049 P1051 S1056 Y1057 L1103 D1106R1012-Q1053 VanDerWaalsContact NH1-OE1 3.14Å; L1049-Q1053 VanDerWaalsContact O-CB 3.24Å; L1049-Q1053 WeakPolarHBondContact O-CB 3.49Å; L1049-Q1053 PolarHBondContact O-N 3.18Å; P1051-Q1053 VanDerWaalsContact C-N 3.33Å; P1051-Q1053 PolarHBondContact O-N 2.92Å; Q1053-S1056 WeakPolarHBondContact O-CB 3.26Å; Q1053-S1056 PolarHBondContact O-N 3.42Å; Q1053-Y1057 HydrophobicContact CG-CE1 3.85Å; Q1053-Y1057 HydrophobicContact CG-CE2 4.15Å; Q1053-Y1057 PolarHBondContact NE2-OH 3.2Å; Q1053-Y1057 VanDerWaalsContact O-CD1 3.3Å; Q1053-Y1057 WeakPolarHBondContact O-CD1 3.38Å; Q1053-Y1057 PolarHBondContact O-N 3.47Å; Q1053-L1103 HydrophobicContact CB-CD2 4.39Å; Q1053-L1103 HydrophobicContact CG-CD2 4.15Å; Q1053-D1106 VanDerWaalsContact CD-OD2 3.31Å; Q1053-D1106 PolarHBondContact NE2-OD2 3.4Å; Q1053-D1106 PolarHBondContact OE1-OD2 3.2Å; Q1053-D1106 VanDerWaalsContact OE1-OD2 3.13Å
1054F90.7Very high85.9Confident2 Ų240.8 Ų40.81%0.00922%0.224CC..Hα-helixtrans-63.1-40.5172-169.6-92.6000112.3I838 I842 I847 V850 Y1050 P1051 Y1057 V1058 L1103I838-F1054 HydrophobicContact CG2-CD2 4.15Å; I838-F1054 HydrophobicContact CG2-CE2 3.4Å; I838-F1054 HydrophobicContact CG2-CZ 3.64Å; I842-F1054 HydrophobicContact CB-CE2 4.39Å; I842-F1054 HydrophobicContact CG1-CE2 4.39Å; I842-F1054 HydrophobicContact CG2-CE2 4.06Å; I842-F1054 HydrophobicContact CG2-CZ 4.33Å; I847-F1054 HydrophobicContact CG1-CD1 4.29Å; I847-F1054 HydrophobicContact CG1-CE1 3.94Å; V850-F1054 HydrophobicContact CG1-CB 4.4Å; V850-F1054 HydrophobicContact CG2-CD1 3.78Å; V850-F1054 HydrophobicContact CG2-CD2 4.16Å; V850-F1054 HydrophobicContact CG2-CE1 3.92Å; V850-F1054 HydrophobicContact CG2-CE2 4.31Å; V850-F1054 HydrophobicContact CG2-CG 3.89Å; V850-F1054 HydrophobicContact CG2-CZ 4.19Å; Y1050-F1054 PolarHBondContact O-N 3.05Å; P1051-F1054 PolarHBondContact O-N 2.95Å; F1054-Y1057 PolarHBondContact O-N 3.06Å; F1054-V1058 HydrophobicContact CD1-CG2 4.01Å; F1054-V1058 HydrophobicContact CE1-CG2 3.62Å; F1054-V1058 HydrophobicContact CZ-CG2 4.05Å; F1054-V1058 WeakPolarHBondContact O-CG2 3.45Å; F1054-V1058 PolarHBondContact O-N 3.36Å; F1054-L1103 HydrophobicContact CB-CD2 4.41Å; F1054-L1103 HydrophobicContact CD2-CD1 3.92Å
1055F89.7Confident84.9Confident101 Ų10139.3 Ų39.344%0.44322%0.221SC..Hα-helixtrans-61.5-41.2172.3-74.9-63.6000112.3I847 I851 P1051 L1052 Y1057 V1058 G1059I847-F1055 HydrophobicContact CB-CE1 4.47Å; I847-F1055 HydrophobicContact CD1-CD1 4.21Å; I847-F1055 HydrophobicContact CD1-CE1 4Å; I847-F1055 HydrophobicContact CG1-CD1 4.49Å; I847-F1055 HydrophobicContact CG1-CE1 4.17Å; I847-F1055 HydrophobicContact CG2-CE1 3.49Å; I847-F1055 VanDerWaalsContact CG2-CE1 3.49Å; I847-F1055 HydrophobicContact CG2-CZ 3.75Å; I851-F1055 HydrophobicContact CD1-CZ 4.3Å; P1051-F1055 HydrophobicContact CB-CE2 4.36Å; P1051-F1055 WeakPolarHBondContact O-CD2 3.35Å; P1051-F1055 PolarHBondContact O-N 2.96Å; L1052-F1055 WeakPolarHBondContact O-CB 3.4Å; L1052-F1055 PolarHBondContact O-N 3.41Å; F1055-Y1057 VanDerWaalsContact C-N 3.33Å; F1055-Y1057 PolarHBondContact O-N 3.48Å; F1055-V1058 PolarHBondContact O-N 2.85Å; F1055-G1059 PolarHBondContact O-N 3.49Å; F1055-G1059 VanDerWaalsContact O-N 3.15Å
1056S86Confident84.1Confident27 Ų2741.4 Ų41.419%0.18924%0.235CC..Hα-helixtrans-59.9-43.8175.1-162.30000111.5L1052 Q1053 G1059 N1090 S1092L1052-S1056 PolarHBondContact O-N 3.43Å; Q1053-S1056 WeakPolarHBondContact O-CB 3.26Å; Q1053-S1056 PolarHBondContact O-N 3.42Å; S1056-G1059 PolarHBondContact O-N 3.18Å; S1056-N1090 PolarHBondContact OG-O 3.19Å; S1056-S1092 WeakPolarHBondContact O-CB 3.43Å
1057Y88.2Confident83.1Confident16 Ų1644.4 Ų44.46%0.06325%0.249CC..Hα-helixtrans-73.3-29-176.6-64.51000113.7I842 Q1053 F1054 F1055 N1090 W1098 L1103I842-Y1057 HydrophobicContact CD1-CD2 4.32Å; Q1053-Y1057 HydrophobicContact CG-CE1 3.85Å; Q1053-Y1057 HydrophobicContact CG-CE2 4.15Å; Q1053-Y1057 PolarHBondContact NE2-OH 3.2Å; Q1053-Y1057 VanDerWaalsContact O-CD1 3.3Å; Q1053-Y1057 WeakPolarHBondContact O-CD1 3.38Å; Q1053-Y1057 PolarHBondContact O-N 3.47Å; F1054-Y1057 PolarHBondContact O-N 3.06Å; F1055-Y1057 VanDerWaalsContact C-N 3.33Å; F1055-Y1057 PolarHBondContact O-N 3.48Å; Y1057-N1090 WeakPolarHBondContact CE1-OD1 3.18Å; Y1057-N1090 PolarHBondContact OH-ND2 2.86Å; Y1057-N1090 PolarHBondContact OH-OD1 2.79Å; Y1057-W1098 HydrophobicContact CD1-CB 4.2Å; Y1057-W1098 AromaticContact CD1-CD1 3.93Å; Y1057-W1098 AromaticContact CD1-CD2 3.56Å; Y1057-W1098 HydrophobicContact CD1-CD2 3.56Å; Y1057-W1098 AromaticContact CD1-CE2 3.91Å; Y1057-W1098 AromaticContact CD1-CE3 4Å; Y1057-W1098 HydrophobicContact CD1-CE3 4Å; Y1057-W1098 AromaticContact CD1-CG 3.62Å; Y1057-W1098 HydrophobicContact CD1-CG 3.62Å; Y1057-W1098 HydrophobicContact CD2-CB 3.48Å; Y1057-W1098 VanDerWaalsContact CD2-CB 3.48Å; Y1057-W1098 HydrophobicContact CD2-CD2 4.45Å; Y1057-W1098 AromaticContact CD2-CG 3.83Å; Y1057-W1098 HydrophobicContact CD2-CG 3.83Å; Y1057-W1098 HydrophobicContact CE1-CB 4.49Å; Y1057-W1098 AromaticContact CE1-CD2 3.68Å; Y1057-W1098 HydrophobicContact CE1-CD2 3.68Å; Y1057-W1098 AromaticContact CE1-CE3 3.6Å; Y1057-W1098 HydrophobicContact CE1-CE3 3.6Å; Y1057-W1098 HydrophobicContact CE1-CG 4.07Å; Y1057-W1098 HydrophobicContact CE1-CZ3 4.14Å; Y1057-W1098 HydrophobicContact CE2-CB 3.79Å; Y1057-W1098 HydrophobicContact CE2-CG 4.23Å; Y1057-W1098 HydrophobicContact CG-CB 3.72Å; Y1057-W1098 AromaticContact CG-CD1 3.77Å; Y1057-W1098 AromaticContact CG-CD2 4Å; Y1057-W1098 HydrophobicContact CG-CD2 4Å; Y1057-W1098 AromaticContact CG-CG 3.51Å; Y1057-W1098 HydrophobicContact CG-CG 3.51Å; Y1057-W1098 AromaticContact CZ-CE3 3.9Å; Y1057-L1103 HydrophobicContact CD2-CD1 3.78Å; Y1057-L1103 HydrophobicContact CD2-CG 4.09Å; Y1057-L1103 HydrophobicContact CE2-CD1 4.05Å; Y1057-L1103 HydrophobicContact CE2-CD2 4.41Å; Y1057-L1103 HydrophobicContact CE2-CG 3.87Å
1058V86.7Confident82.5Confident15 Ų1544.4 Ų44.49%0.09125%0.245CC..Hα-helixtrans-73.8-31.1171.8172.10000111.9I842 A844 I847 W915 F1054 F1055I842-V1058 HydrophobicContact CG2-CG2 3.71Å; A844-V1058 HydrophobicContact CB-CG1 4.28Å; I847-V1058 HydrophobicContact CD1-CG1 4.46Å; W915-V1058 HydrophobicContact CZ2-CG1 3.99Å; W915-V1058 PolarHBondContact NE1-O 2.88Å; F1054-V1058 HydrophobicContact CD1-CG2 4.01Å; F1054-V1058 HydrophobicContact CE1-CG2 3.62Å; F1054-V1058 HydrophobicContact CZ-CG2 4.05Å; F1054-V1058 WeakPolarHBondContact O-CG2 3.45Å; F1054-V1058 PolarHBondContact O-N 3.36Å; F1055-V1058 PolarHBondContact O-N 2.85Å
1059G81.8Confident82Confident20 Ų2043 Ų4321%0.20624%0.242CC..  trans63.5-164.4174.800000115.2F1055 S1056 Y1068F1055-G1059 PolarHBondContact O-N 3.49Å; F1055-G1059 VanDerWaalsContact O-N 3.15Å; S1056-G1059 PolarHBondContact O-N 3.18Å; G1059-Y1068 VanDerWaalsContact CA-OH 3.32Å; G1059-Y1068 WeakPolarHBondContact CA-OH 3.46Å
1060L81.5Confident81.5Confident83 Ų8345.4 Ų45.444%0.43525%0.25SS..SBendtrans-89.7150.7170.5-69.2171.9000110.5Y1068 Y1094L1060-Y1068 HydrophobicContact CB-CE1 4.23Å; L1060-Y1068 HydrophobicContact CD1-CD1 4.28Å; L1060-Y1068 HydrophobicContact CD1-CE1 3.93Å; L1060-Y1068 HydrophobicContact CG-CE1 4.04Å; L1060-Y1068 PolarHBondContact N-OH 2.85Å; L1060-Y1094 WeakPolarHBondContact CB-OH 3.39Å; L1060-Y1094 WeakPolarHBondContact O-CE1 3.49Å
1061P76.6Confident80.6Confident28 Ų2846.4 Ų46.418%0.18226%0.258CS..  trans-65.4125.217825.7-33.7000111.6W915 D1063 S1064W915-P1061 HydrophobicContact CD2-CB 4.04Å; W915-P1061 HydrophobicContact CE3-CB 4.28Å; W915-P1061 HydrophobicContact CG-CB 4.37Å; P1061-D1063 PolarHBondContact O-N 3.33Å; P1061-S1064 WeakPolarHBondContact O-CB 3.45Å; P1061-S1064 PolarHBondContact O-N 3.31Å; P1061-S1064 PolarHBondContact O-OG 3.43Å
1062P69Low80Confident19 Ų1952.8 Ų52.812%0.12328%0.281CS..G310 helixtrans-68.5-31.7-172.924.8-33.9000114.4I910 S1064 C1065 Y1094I910-P1062 HydrophobicContact CB-CG 4.13Å; I910-P1062 WeakPolarHBondContact O-CG 3.47Å; P1062-S1064 PolarHBondContact O-N 3.05Å; P1062-C1065 PolarHBondContact O-N 3.05Å; P1062-Y1094 HydrophobicContact CB-CD1 3.85Å; P1062-Y1094 HydrophobicContact CB-CE1 3.76Å
1063D67.2Low79.2Confident64 Ų6458.2 Ų58.234%0.34229%0.294SS..G310 helixtrans-59.3-7.2174.3-75.7-35.1000113.5R898 S911 M912 P1061R898-D1063 IonicContact CZ-OD1 2.89Å; R898-D1063 IonicContact NE-OD1 2.98Å; R898-D1063 PolarHBondContact NE-OD1 3.02Å; R898-D1063 IonicContact NH2-OD1 3.76Å; R898-D1063 PolarHBondContact NH2-OD1 3.26Å; S911-D1063 WeakPolarHBondContact CA-OD2 3.45Å; M912-D1063 PolarHBondContact N-OD2 2.95Å; P1061-D1063 PolarHBondContact O-N 3.33Å
1064S70.4Confident78.3Confident67 Ų6759.1 Ų59.147%0.46930%0.299SS..G310 helixtrans-83.1-9.7171.3-58.40000114.4P1061 P1062 I1066P1061-S1064 WeakPolarHBondContact O-CB 3.45Å; P1061-S1064 PolarHBondContact O-N 3.31Å; P1061-S1064 PolarHBondContact O-OG 3.43Å; P1062-S1064 PolarHBondContact O-N 3.05Å; S1064-I1066 PolarHBondContact O-N 3.22Å; S1064-I1066 VanDerWaalsContact O-N 3.14Å
1065C71.4Confident77.1Confident59 Ų5963.6 Ų63.640%0.39933%0.328SS..  trans54.426.1-179.1-66.70000115.9C905 P1062C905-C1065 HydrophobicContact CB-CB 4.11Å; C905-C1065 WeakPolarHBondContact CB-SG 3.35Å; C905-C1065 WeakPolarHBondContact SG-CB 3.48Å; C905-C1065 CovalentContact SG-SG 2.04Å; C905-C1065 PolarHBondContact SG-SG 3.04Å; P1062-C1065 PolarHBondContact O-N 3.05Å
1066I75Confident76.2Confident99 Ų9963.1 Ų63.151%0.50834%0.337SS..  trans-91111.6179.1-59.9173.2000109.3S1064 Y1094S1064-I1066 PolarHBondContact O-N 3.22Å; S1064-I1066 VanDerWaalsContact O-N 3.14Å; I1066-Y1094 WeakPolarHBondContact O-CE2 3.49Å; I1066-Y1094 PolarHBondContact O-OH 3.2Å; I1066-Y1094 VanDerWaalsContact O-OH 3.12Å
1067E71.3Confident75.6Confident64 Ų6466.1 Ų66.130%0.29935%0.345SS..  trans-66.1142170.1-70.2-159.917900112.2H907 S1071 Y1072H907-E1067 IonicContact CD2-OE1 3.81Å; H907-E1067 IonicContact CE1-OE1 3.24Å; H907-E1067 IonicContact NE2-OE1 3.54Å; H907-E1067 PolarHBondContact NE2-OE1 3.46Å; E1067-S1071 WeakPolarHBondContact OE2-CB 3.32Å; E1067-S1071 PolarHBondContact OE2-OG 2.83Å; E1067-Y1072 HydrophobicContact CB-CE2 4.03Å; E1067-Y1072 VanDerWaalsContact OE2-CZ 3.23Å; E1067-Y1072 PolarHBondContact OE2-OH 3.09Å
1068Y78.1Confident75Confident18 Ų1867.8 Ų67.87%0.07136%0.359CS..  trans-67.3139.5174.3-67.6-71.9000111.3G1059 L1060 W1070 S1071 S1092 Y1094G1059-Y1068 VanDerWaalsContact CA-OH 3.32Å; G1059-Y1068 WeakPolarHBondContact CA-OH 3.46Å; L1060-Y1068 HydrophobicContact CB-CE1 4.23Å; L1060-Y1068 HydrophobicContact CD1-CD1 4.28Å; L1060-Y1068 HydrophobicContact CD1-CE1 3.93Å; L1060-Y1068 HydrophobicContact CG-CE1 4.04Å; L1060-Y1068 PolarHBondContact N-OH 2.85Å; Y1068-W1070 VanDerWaalsContact CB-CE2 3.4Å; Y1068-W1070 AromaticContact CD1-CH2 3.74Å; Y1068-W1070 HydrophobicContact CD1-CH2 3.74Å; Y1068-W1070 AromaticContact CD1-CZ2 3.45Å; Y1068-W1070 HydrophobicContact CD1-CZ2 3.45Å; Y1068-W1070 VanDerWaalsContact CD1-CZ2 3.45Å; Y1068-W1070 HydrophobicContact CD2-CZ2 4.25Å; Y1068-W1070 HydrophobicContact CE1-CH2 4.46Å; Y1068-W1070 HydrophobicContact CE1-CZ2 4.19Å; Y1068-W1070 AromaticContact CG-CE2 3.85Å; Y1068-W1070 HydrophobicContact CG-CH2 4.2Å; Y1068-W1070 AromaticContact CG-CZ2 3.5Å; Y1068-W1070 HydrophobicContact CG-CZ2 3.5Å; Y1068-W1070 VanDerWaalsContact CG-CZ2 3.5Å; Y1068-W1070 PolarHBondContact O-N 3.24Å; Y1068-S1071 WeakPolarHBondContact O-CB 3.49Å; Y1068-S1071 PolarHBondContact O-N 3.41Å; Y1068-S1071 PolarHBondContact O-OG 3.44Å; Y1068-S1071 VanDerWaalsContact O-OG 3.14Å; Y1068-S1092 WeakPolarHBondContact CD2-O 3.48Å; Y1068-Y1094 AromaticContact CD2-CD2 3.72Å; Y1068-Y1094 HydrophobicContact CD2-CD2 3.72Å; Y1068-Y1094 AromaticContact CD2-CE2 3.54Å; Y1068-Y1094 HydrophobicContact CD2-CE2 3.54Å; Y1068-Y1094 HydrophobicContact CE2-CD1 4.22Å; Y1068-Y1094 AromaticContact CE2-CD2 3.44Å; Y1068-Y1094 HydrophobicContact CE2-CD2 3.44Å; Y1068-Y1094 VanDerWaalsContact CE2-CD2 3.44Å; Y1068-Y1094 HydrophobicContact CE2-CE1 4.07Å; Y1068-Y1094 AromaticContact CE2-CE2 3.25Å; Y1068-Y1094 HydrophobicContact CE2-CE2 3.25Å; Y1068-Y1094 AromaticContact CE2-CG 3.93Å; Y1068-Y1094 HydrophobicContact CE2-CG 3.93Å; Y1068-Y1094 AromaticContact CE2-CZ 3.6Å; Y1068-Y1094 HydrophobicContact CG-CE2 4.39Å; Y1068-Y1094 AromaticContact CZ-CE2 3.93Å; Y1068-Y1094 AromaticContact CZ-CZ 3.82Å
1069P82.4Confident74.7Confident76 Ų7672.2 Ų72.249%0.49438%0.382SS..THydrogen-bonded Turntrans-54.6-27.8-173.6-29.235.6000115.8S1071P1069-S1071 VanDerWaalsContact C-N 3.33Å; P1069-S1071 PolarHBondContact O-N 3.2Å
1070W80.5Confident74.7Confident69 Ų6972.8 Ų72.826%0.26138%0.381SS..Hα-helixtrans-74.7-13.3178.546.684.7000114.8Y1068 Y1072 W1073 I1074 L1091 S1092Y1068-W1070 VanDerWaalsContact CB-CE2 3.4Å; Y1068-W1070 AromaticContact CD1-CH2 3.74Å; Y1068-W1070 HydrophobicContact CD1-CH2 3.74Å; Y1068-W1070 AromaticContact CD1-CZ2 3.45Å; Y1068-W1070 HydrophobicContact CD1-CZ2 3.45Å; Y1068-W1070 VanDerWaalsContact CD1-CZ2 3.45Å; Y1068-W1070 HydrophobicContact CD2-CZ2 4.25Å; Y1068-W1070 HydrophobicContact CE1-CH2 4.46Å; Y1068-W1070 HydrophobicContact CE1-CZ2 4.19Å; Y1068-W1070 AromaticContact CG-CE2 3.85Å; Y1068-W1070 HydrophobicContact CG-CH2 4.2Å; Y1068-W1070 AromaticContact CG-CZ2 3.5Å; Y1068-W1070 HydrophobicContact CG-CZ2 3.5Å; Y1068-W1070 VanDerWaalsContact CG-CZ2 3.5Å; Y1068-W1070 PolarHBondContact O-N 3.24Å; W1070-Y1072 PolarHBondContact O-N 3.3Å; W1070-W1073 PolarHBondContact O-N 2.63Å; W1070-I1074 HydrophobicContact CB-CD1 4.43Å; W1070-I1074 PolarHBondContact O-N 3.36Å; W1070-L1091 HydrophobicContact CB-CD1 4.17Å; W1070-L1091 HydrophobicContact CD2-CB 4.18Å; W1070-L1091 HydrophobicContact CD2-CD1 4.18Å; W1070-L1091 HydrophobicContact CD2-CD2 4.28Å; W1070-L1091 HydrophobicContact CD2-CG 4.46Å; W1070-L1091 HydrophobicContact CE3-CD2 4.19Å; W1070-L1091 HydrophobicContact CG-CB 4.45Å; W1070-L1091 HydrophobicContact CG-CD1 3.92Å; W1070-L1091 HydrophobicContact CZ2-CB 4.18Å; W1070-L1091 HydrophobicContact CZ3-CD2 4.4Å; W1070-S1092 VanDerWaalsContact CZ2-O 3.32Å; W1070-S1092 WeakPolarHBondContact CZ2-O 3.5Å; W1070-S1092 WeakPolarHBondContact CZ2-OG 3.5Å; W1070-S1092 PolarHBondContact NE1-O 3.02Å
1071S74.3Confident74.6Confident23 Ų2369 Ų6916%0.16136%0.361CS..Hα-helixtrans-58-37.6171.7710000111.3E1067 Y1068 P1069 R1082E1067-S1071 WeakPolarHBondContact OE2-CB 3.32Å; E1067-S1071 PolarHBondContact OE2-OG 2.83Å; Y1068-S1071 WeakPolarHBondContact O-CB 3.49Å; Y1068-S1071 PolarHBondContact O-N 3.41Å; Y1068-S1071 PolarHBondContact O-OG 3.44Å; Y1068-S1071 VanDerWaalsContact O-OG 3.14Å; P1069-S1071 VanDerWaalsContact C-N 3.33Å; P1069-S1071 PolarHBondContact O-N 3.2Å; S1071-R1082 PolarHBondContact O-NH1 3.18Å
1072Y77.6Confident75Confident151 Ų15171.5 Ų71.559%0.59237%0.367SS*.Hα-helixtrans-87.2-23.9178.8-54.6-68.4000114.6E1067 W1070 P1075E1067-Y1072 HydrophobicContact CB-CE2 4.03Å; E1067-Y1072 VanDerWaalsContact OE2-CZ 3.23Å; E1067-Y1072 PolarHBondContact OE2-OH 3.09Å; W1070-Y1072 PolarHBondContact O-N 3.3Å; Y1072-P1075 WeakPolarHBondContact O-CD 3.35Å
1073W73Confident75.8Confident219 Ų21972.5 Ų72.583%0.8337%0.37SS*.Hα-helixtrans-82.6-14.3-178-72.430.3000113.2W1070 P1075W1070-W1073 PolarHBondContact O-N 2.63Å; W1073-P1075 WeakPolarHBondContact O-CD 3.44Å
1074I72.6Confident76.7Confident21 Ų2169.5 Ų69.511%0.10835%0.354CS..  trans-119.752.6-178.5-45.8177.5000111.2W1070 Y1077 R1082 L1085W1070-I1074 HydrophobicContact CB-CD1 4.43Å; W1070-I1074 PolarHBondContact O-N 3.36Å; I1074-Y1077 HydrophobicContact CG2-CD2 3.89Å; I1074-Y1077 HydrophobicContact CG2-CE2 4.35Å; I1074-R1082 HydrophobicContact CB-CG 4.33Å; I1074-R1082 HydrophobicContact CG2-CG 4.21Å; I1074-R1082 WeakPolarHBondContact O-CD 3.38Å; I1074-L1085 HydrophobicContact CD1-CD2 4.46Å; I1074-L1085 HydrophobicContact CG2-CD2 3.83Å
1075P65.2Low77.5Confident96 Ų9667.5 Ų67.562%0.62334%0.338SS*.  trans-88.9-5.4-172.638.8-38.1000114.3Y1072 W1073 Y1077Y1072-P1075 WeakPolarHBondContact O-CD 3.35Å; W1073-P1075 WeakPolarHBondContact O-CD 3.44Å; P1075-Y1077 VanDerWaalsContact C-N 3.35Å; P1075-Y1077 PolarHBondContact O-N 3.33Å
1076S71.3Confident78.3Confident92 Ų9265.2 Ų65.264%0.64332%0.322SS*.SBendtrans-90.714.6-170.455.10000115.2
1077Y73.1Confident78.9Confident89 Ų8960.7 Ų60.735%0.34930%0.298SS..SBendtrans-135.3156.3-176.4-56.7-80000110.4I1074 P1075 F1244I1074-Y1077 HydrophobicContact CG2-CD2 3.89Å; I1074-Y1077 HydrophobicContact CG2-CE2 4.35Å; P1075-Y1077 VanDerWaalsContact C-N 3.35Å; P1075-Y1077 PolarHBondContact O-N 3.33Å; Y1077-F1244 HydrophobicContact CE1-CD1 4.37Å; Y1077-F1244 AromaticContact CE1-CE1 3.7Å; Y1077-F1244 HydrophobicContact CE1-CE1 3.7Å; Y1077-F1244 HydrophobicContact CE1-CZ 4.36Å; Y1077-F1244 AromaticContact CZ-CE1 3.92Å
1078S76.2Confident79.6Confident51 Ų5157.8 Ų57.836%0.35729%0.285SS..  trans-61.9156173.153.10000111.4D1080 A1081 R1082S1078-D1080 VanDerWaalsContact C-N 3.32Å; S1078-D1080 PolarHBondContact O-N 2.87Å; S1078-A1081 CarbonylContact O-C 3.58Å; S1078-A1081 WeakPolarHBondContact O-CA 3.23Å; S1078-A1081 WeakPolarHBondContact O-CB 3.39Å; S1078-A1081 PolarHBondContact O-N 3.26Å; S1078-R1082 PolarHBondContact O-N 2.91Å
1079D79.3Confident80Confident108 Ų10860.7 Ų60.758%0.57830%0.301SS*.Hα-helixtrans-58.8-39.7-171.9-75.6-56.7000113.8A1081 R1082 F1083D1079-A1081 VanDerWaalsContact C-N 3.34Å; D1079-A1081 PolarHBondContact O-N 2.78Å; D1079-R1082 PolarHBondContact O-N 3.3Å; D1079-R1082 IonicContact OD1-CZ 3.2Å; D1079-R1082 IonicContact OD1-NE 3.43Å; D1079-R1082 PolarHBondContact OD1-NE 2.91Å; D1079-R1082 IonicContact OD1-NH2 3.98Å; D1079-R1082 PolarHBondContact OD1-NH2 3.03Å; D1079-F1083 VanDerWaalsContact O-CB 3.29Å; D1079-F1083 WeakPolarHBondContact O-CB 3.41Å; D1079-F1083 PolarHBondContact O-N 3.47Å
1080D81.8Confident80.2Confident32 Ų3257.7 Ų57.717%0.17128%0.281CS..Hα-helixtrans-63.8-37.2174.5-70.2-35.6000111.6S1078 N1084 H1275 L1277 K1278S1078-D1080 VanDerWaalsContact C-N 3.32Å; S1078-D1080 PolarHBondContact O-N 2.87Å; D1080-N1084 WeakPolarHBondContact O-CB 3.41Å; D1080-N1084 PolarHBondContact O-N 2.86Å; D1080-N1084 PolarHBondContact O-ND2 3.43Å; D1080-N1084 PolarHBondContact O-OD1 2.84Å; D1080-H1275 HydrophobicContact CB-CB 3.97Å; D1080-H1275 IonicContact OD1-CE1 2.98Å; D1080-H1275 IonicContact OD1-CG 3.23Å; D1080-H1275 IonicContact OD1-ND1 3.46Å; D1080-H1275 PolarHBondContact OD1-ND1 2.97Å; D1080-L1277 HydrophobicContact CB-CD2 4.06Å; D1080-K1278 IonicContact OD2-NZ 3.3Å
1081A81Confident80.3Confident3 Ų356.6 Ų56.63%0.02528%0.28CS..Hα-helixtrans-73.6-37.3175.900000112.7S1078 D1079 N1084 L1085 V1243 L1277S1078-A1081 CarbonylContact O-C 3.58Å; S1078-A1081 WeakPolarHBondContact O-CA 3.23Å; S1078-A1081 WeakPolarHBondContact O-CB 3.39Å; S1078-A1081 PolarHBondContact O-N 3.26Å; D1079-A1081 VanDerWaalsContact C-N 3.34Å; D1079-A1081 PolarHBondContact O-N 2.78Å; A1081-N1084 PolarHBondContact O-N 3.42Å; A1081-L1085 WeakPolarHBondContact O-CB 3.39Å; A1081-L1085 PolarHBondContact O-N 3.36Å; A1081-V1243 HydrophobicContact CB-CG1 4.49Å; A1081-L1277 HydrophobicContact CB-CD2 3.89Å
1082R83.7Confident80.8Confident81 Ų8156.1 Ų56.131%0.30628%0.277SS..Hα-helixtrans-62.9-44.6173.2-179.2166.371141.8-6.1110.8S1071 I1074 S1078 D1079 S1086S1071-R1082 PolarHBondContact O-NH1 3.18Å; I1074-R1082 HydrophobicContact CB-CG 4.33Å; I1074-R1082 HydrophobicContact CG2-CG 4.21Å; I1074-R1082 WeakPolarHBondContact O-CD 3.38Å; S1078-R1082 PolarHBondContact O-N 2.91Å; D1079-R1082 PolarHBondContact O-N 3.3Å; D1079-R1082 IonicContact OD1-CZ 3.2Å; D1079-R1082 IonicContact OD1-NE 3.43Å; D1079-R1082 PolarHBondContact OD1-NE 2.91Å; D1079-R1082 IonicContact OD1-NH2 3.98Å; D1079-R1082 PolarHBondContact OD1-NH2 3.03Å; R1082-S1086 PolarHBondContact O-N 3Å; R1082-S1086 PolarHBondContact O-OG 3.44Å
1083F85.5Confident80.9Confident41 Ų4150.5 Ų50.518%0.1826%0.257CS..Hα-helixtrans-57.4-57.3172.3-176.7-88.2000110.9D1079 L1085 S1086 Y1087 I1093 V1096 H1275D1079-F1083 VanDerWaalsContact O-CB 3.29Å; D1079-F1083 WeakPolarHBondContact O-CB 3.41Å; D1079-F1083 PolarHBondContact O-N 3.47Å; F1083-L1085 VanDerWaalsContact C-N 3.3Å; F1083-L1085 PolarHBondContact O-N 2.95Å; F1083-S1086 PolarHBondContact O-N 3.04Å; F1083-S1086 VanDerWaalsContact O-N 3.07Å; F1083-S1086 PolarHBondContact O-OG 3.47Å; F1083-Y1087 PolarHBondContact O-N 3.44Å; F1083-I1093 HydrophobicContact CD2-CD1 4.42Å; F1083-I1093 HydrophobicContact CD2-CG2 4.48Å; F1083-I1093 HydrophobicContact CE2-CD1 4.28Å; F1083-I1093 HydrophobicContact CE2-CG2 4.31Å; F1083-V1096 HydrophobicContact CE2-CG2 3.48Å; F1083-V1096 VanDerWaalsContact CE2-CG2 3.48Å; F1083-V1096 HydrophobicContact CZ-CG2 3.72Å; F1083-H1275 HydrophobicContact CD1-CB 4.49Å; F1083-H1275 AromaticContact CD1-CD2 3.65Å; F1083-H1275 AromaticContact CD1-CG 3.88Å; F1083-H1275 AromaticContact CD1-NE2 3.9Å; F1083-H1275 AromaticContact CE1-CD2 3.49Å; F1083-H1275 VanDerWaalsContact CE1-CD2 3.49Å; F1083-H1275 WeakPolarHBondContact CE1-CD2 3.47Å; F1083-H1275 AromaticContact CE1-NE2 3.62Å; F1083-H1275 AromaticContact CZ-NE2 3.77Å
1084N87.9Confident81.2Confident1 Ų141.9 Ų41.91%0.00522%0.224CC..Hα-helixtrans-55-42.5-179.4-71.6-4.4000112.8D1080 A1081 L1088 C1242 V1243 C1274 H1275D1080-N1084 WeakPolarHBondContact O-CB 3.41Å; D1080-N1084 PolarHBondContact O-N 2.86Å; D1080-N1084 PolarHBondContact O-ND2 3.43Å; D1080-N1084 PolarHBondContact O-OD1 2.84Å; A1081-N1084 PolarHBondContact O-N 3.42Å; N1084-L1088 WeakPolarHBondContact O-CB 3.42Å; N1084-L1088 WeakPolarHBondContact O-CG 3.33Å; N1084-L1088 PolarHBondContact O-N 2.97Å; N1084-C1242 PolarHBondContact ND2-O 3.39Å; N1084-V1243 HydrophobicContact CB-CG2 4.14Å; N1084-C1274 HydrophobicContact CB-CB 4.46Å; N1084-C1274 VanDerWaalsContact OD1-CA 3.32Å; N1084-C1274 WeakPolarHBondContact OD1-CA 3.39Å; N1084-C1274 WeakPolarHBondContact OD1-CB 3.46Å; N1084-H1275 PolarHBondContact ND2-O 3.2Å; N1084-H1275 PolarHBondContact OD1-N 2.68Å
1085L86.9Confident81.1Confident25 Ų2543.7 Ų43.713%0.13125%0.248CC..Hα-helixtrans-67-43.4177.6-176.856000112I1074 A1081 F1083 Y1087 L1088 L1089 V1243I1074-L1085 HydrophobicContact CD1-CD2 4.46Å; I1074-L1085 HydrophobicContact CG2-CD2 3.83Å; A1081-L1085 WeakPolarHBondContact O-CB 3.39Å; A1081-L1085 PolarHBondContact O-N 3.36Å; F1083-L1085 VanDerWaalsContact C-N 3.3Å; F1083-L1085 PolarHBondContact O-N 2.95Å; L1085-Y1087 VanDerWaalsContact C-N 3.35Å; L1085-Y1087 PolarHBondContact O-N 3.24Å; L1085-L1088 PolarHBondContact O-N 3.44Å; L1085-L1089 HydrophobicContact CD1-CD1 3.85Å; L1085-L1089 HydrophobicContact CD1-CG 4.12Å; L1085-L1089 HydrophobicContact CG-CD1 3.98Å; L1085-L1089 WeakPolarHBondContact O-CB 3.49Å; L1085-L1089 VanDerWaalsContact O-CG 3.23Å; L1085-L1089 WeakPolarHBondContact O-CG 3.3Å; L1085-L1089 PolarHBondContact O-N 3.26Å; L1085-V1243 HydrophobicContact CB-CG1 4.07Å; L1085-V1243 HydrophobicContact CB-CG2 3.9Å; L1085-V1243 HydrophobicContact CD1-CG2 4.3Å; L1085-V1243 HydrophobicContact CD2-CG1 4.42Å
1086S86.6Confident81.5Confident10 Ų1040.6 Ų40.67%0.0723%0.228CC..Hα-helixtrans-65-37.3176.9640000112.9R1082 F1083 N1090 L1091 I1093R1082-S1086 PolarHBondContact O-N 3Å; R1082-S1086 PolarHBondContact O-OG 3.44Å; F1083-S1086 PolarHBondContact O-N 3.04Å; F1083-S1086 VanDerWaalsContact O-N 3.07Å; F1083-S1086 PolarHBondContact O-OG 3.47Å; S1086-N1090 PolarHBondContact O-N 3.28Å; S1086-L1091 PolarHBondContact O-N 3.07Å; S1086-L1091 VanDerWaalsContact O-N 3.12Å; S1086-I1093 WeakPolarHBondContact OG-CD1 3.24Å
1087Y87.6Confident81.8Confident4 Ų443.2 Ų43.22%0.01623%0.234CC..Hα-helixtrans-66-50175-169.4-81.3000111.7F1083 L1085 L1089 N1090 V1096 W1098 P1099 E1273F1083-Y1087 PolarHBondContact O-N 3.44Å; L1085-Y1087 VanDerWaalsContact C-N 3.35Å; L1085-Y1087 PolarHBondContact O-N 3.24Å; Y1087-L1089 PolarHBondContact O-N 2.6Å; Y1087-N1090 WeakPolarHBondContact O-CA 3.46Å; Y1087-N1090 PolarHBondContact O-N 3.28Å; Y1087-V1096 HydrophobicContact CD2-CG1 4.31Å; Y1087-V1096 HydrophobicContact CE2-CG1 4.12Å; Y1087-W1098 HydrophobicContact CD2-CH2 4.2Å; Y1087-W1098 HydrophobicContact CD2-CZ3 4.03Å; Y1087-W1098 HydrophobicContact CE2-CE3 4.12Å; Y1087-W1098 HydrophobicContact CE2-CH2 4.4Å; Y1087-W1098 AromaticContact CE2-CZ3 3.83Å; Y1087-W1098 HydrophobicContact CE2-CZ3 3.83Å; Y1087-P1099 WeakPolarHBondContact OH-CD 3.32Å; Y1087-E1273 HydrophobicContact CE1-CB 3.83Å; Y1087-E1273 HydrophobicContact CE2-CB 3.91Å; Y1087-E1273 VanDerWaalsContact CZ-CB 3.46Å; Y1087-E1273 WeakPolarHBondContact OH-CB 3.34Å; Y1087-E1273 WeakPolarHBondContact OH-CG 3.48Å
1088L86.6Confident82.4Confident3 Ų339.7 Ų39.72%0.01622%0.22CC..Hα-helixtrans-64.2-26178.6-78165.8000113.6A1015 N1084 L1085 N1090 C1242 V1243A1015-L1088 VanDerWaalsContact CB-O 3.22Å; A1015-L1088 WeakPolarHBondContact CB-O 3.39Å; A1015-L1088 PolarHBondContact N-O 2.98Å; N1084-L1088 WeakPolarHBondContact O-CB 3.42Å; N1084-L1088 WeakPolarHBondContact O-CG 3.33Å; N1084-L1088 PolarHBondContact O-N 2.97Å; L1085-L1088 PolarHBondContact O-N 3.44Å; L1088-N1090 VanDerWaalsContact C-N 3.3Å; L1088-C1242 HydrophobicContact CD1-CB 3.69Å; L1088-V1243 HydrophobicContact CD1-CG2 4.13Å
1089L86.5Confident82.8Confident79 Ų7938.7 Ų38.741%0.41421%0.213SC..THydrogen-bonded Turntrans-83.6-2172.1-68.3172.6000113.5A1015 L1085 Y1087 L1091A1015-L1089 HydrophobicContact CB-CD2 4.19Å; L1085-L1089 HydrophobicContact CD1-CD1 3.85Å; L1085-L1089 HydrophobicContact CD1-CG 4.12Å; L1085-L1089 HydrophobicContact CG-CD1 3.98Å; L1085-L1089 WeakPolarHBondContact O-CB 3.49Å; L1085-L1089 VanDerWaalsContact O-CG 3.23Å; L1085-L1089 WeakPolarHBondContact O-CG 3.3Å; L1085-L1089 PolarHBondContact O-N 3.26Å; Y1087-L1089 PolarHBondContact O-N 2.6Å; L1089-L1091 HydrophobicContact CB-CD1 3.96Å; L1089-L1091 HydrophobicContact CB-CG 3.91Å; L1089-L1091 HydrophobicContact CD1-CD1 4.16Å; L1089-L1091 PolarHBondContact O-N 3.36Å
1090N86.1Confident83.2Confident14 Ų1435.2 Ų35.28%0.07520%0.197CC..THydrogen-bonded Turntrans5831.9-179.5-148.947000114L1016 S1056 Y1057 S1086 Y1087 L1088 W1098L1016-N1090 HydrophobicContact CD1-CB 4.2Å; S1056-N1090 PolarHBondContact OG-O 3.19Å; Y1057-N1090 WeakPolarHBondContact CE1-OD1 3.18Å; Y1057-N1090 PolarHBondContact OH-ND2 2.86Å; Y1057-N1090 PolarHBondContact OH-OD1 2.79Å; S1086-N1090 PolarHBondContact O-N 3.28Å; Y1087-N1090 WeakPolarHBondContact O-CA 3.46Å; Y1087-N1090 PolarHBondContact O-N 3.28Å; L1088-N1090 VanDerWaalsContact C-N 3.3Å; N1090-W1098 VanDerWaalsContact OD1-CZ3 3.26Å; N1090-W1098 WeakPolarHBondContact OD1-CZ3 3.39Å
1091L83.9Confident83.5Confident46 Ų4636.1 Ų36.124%0.24121%0.209CC..  trans-82.2148.6175.8-63.1171.9000110.1W1070 S1086 L1089 W1098W1070-L1091 HydrophobicContact CB-CD1 4.17Å; W1070-L1091 HydrophobicContact CD2-CB 4.18Å; W1070-L1091 HydrophobicContact CD2-CD1 4.18Å; W1070-L1091 HydrophobicContact CD2-CD2 4.28Å; W1070-L1091 HydrophobicContact CD2-CG 4.46Å; W1070-L1091 HydrophobicContact CE3-CD2 4.19Å; W1070-L1091 HydrophobicContact CG-CB 4.45Å; W1070-L1091 HydrophobicContact CG-CD1 3.92Å; W1070-L1091 HydrophobicContact CZ2-CB 4.18Å; W1070-L1091 HydrophobicContact CZ3-CD2 4.4Å; S1086-L1091 PolarHBondContact O-N 3.07Å; S1086-L1091 VanDerWaalsContact O-N 3.12Å; L1089-L1091 HydrophobicContact CB-CD1 3.96Å; L1089-L1091 HydrophobicContact CB-CG 3.91Å; L1089-L1091 HydrophobicContact CD1-CD1 4.16Å; L1089-L1091 PolarHBondContact O-N 3.36Å; L1091-W1098 WeakPolarHBondContact O-CH2 3.41Å; L1091-W1098 WeakPolarHBondContact O-CZ2 3.39Å
1092S84.4Confident83.9Confident12 Ų1236.8 Ų36.88%0.08421%0.211CC..  trans-68141.2179.620000112.6S1056 Y1068 W1070S1056-S1092 WeakPolarHBondContact O-CB 3.43Å; Y1068-S1092 WeakPolarHBondContact CD2-O 3.48Å; W1070-S1092 VanDerWaalsContact CZ2-O 3.32Å; W1070-S1092 WeakPolarHBondContact CZ2-O 3.5Å; W1070-S1092 WeakPolarHBondContact CZ2-OG 3.5Å; W1070-S1092 PolarHBondContact NE1-O 3.02Å
1093I79.5Confident84.2Confident34 Ų3433 Ų3317%0.17420%0.196CC..  trans-136.1136.5-179.7-49.1168.2000107.2F1083 S1086 V1096F1083-I1093 HydrophobicContact CD2-CD1 4.42Å; F1083-I1093 HydrophobicContact CD2-CG2 4.48Å; F1083-I1093 HydrophobicContact CE2-CD1 4.28Å; F1083-I1093 HydrophobicContact CE2-CG2 4.31Å; S1086-I1093 WeakPolarHBondContact OG-CD1 3.24Å; I1093-V1096 HydrophobicContact CB-CB 4.35Å; I1093-V1096 HydrophobicContact CB-CG2 3.8Å; I1093-V1096 HydrophobicContact CD1-CG2 4.29Å; I1093-V1096 HydrophobicContact CG2-CG2 3.71Å
1094Y79Confident84.5Confident38 Ų3832.8 Ų32.815%0.14920%0.197CC..THydrogen-bonded Turntrans-70.6138.5174.9-74.5-68.1000111.5H907 L1060 P1062 I1066 Y1068 V1096H907-Y1094 HydrophobicContact CB-CD2 3.91Å; H907-Y1094 HydrophobicContact CB-CG 3.97Å; H907-Y1094 WeakPolarHBondContact O-CB 3.45Å; L1060-Y1094 WeakPolarHBondContact CB-OH 3.39Å; L1060-Y1094 WeakPolarHBondContact O-CE1 3.49Å; P1062-Y1094 HydrophobicContact CB-CD1 3.85Å; P1062-Y1094 HydrophobicContact CB-CE1 3.76Å; I1066-Y1094 WeakPolarHBondContact O-CE2 3.49Å; I1066-Y1094 PolarHBondContact O-OH 3.2Å; I1066-Y1094 VanDerWaalsContact O-OH 3.12Å; Y1068-Y1094 AromaticContact CD2-CD2 3.72Å; Y1068-Y1094 HydrophobicContact CD2-CD2 3.72Å; Y1068-Y1094 AromaticContact CD2-CE2 3.54Å; Y1068-Y1094 HydrophobicContact CD2-CE2 3.54Å; Y1068-Y1094 HydrophobicContact CE2-CD1 4.22Å; Y1068-Y1094 AromaticContact CE2-CD2 3.44Å; Y1068-Y1094 HydrophobicContact CE2-CD2 3.44Å; Y1068-Y1094 VanDerWaalsContact CE2-CD2 3.44Å; Y1068-Y1094 HydrophobicContact CE2-CE1 4.07Å; Y1068-Y1094 AromaticContact CE2-CE2 3.25Å; Y1068-Y1094 HydrophobicContact CE2-CE2 3.25Å; Y1068-Y1094 AromaticContact CE2-CG 3.93Å; Y1068-Y1094 HydrophobicContact CE2-CG 3.93Å; Y1068-Y1094 AromaticContact CE2-CZ 3.6Å; Y1068-Y1094 HydrophobicContact CG-CE2 4.39Å; Y1068-Y1094 AromaticContact CZ-CE2 3.93Å; Y1068-Y1094 AromaticContact CZ-CZ 3.82Å; Y1094-V1096 VanDerWaalsContact C-N 3.32Å; Y1094-V1096 PolarHBondContact O-N 2.99Å
1095G70.1Confident84.6Confident59 Ų5933.3 Ų33.361%0.60820%0.203SC*.THydrogen-bonded Turntrans80.5-3.6176.800000116.5
1096V74.5Confident84.8Confident31 Ų3132.1 Ų32.119%0.18820%0.197CC..  trans-92.3124.2179.1-177.80000111.1F1083 Y1087 I1093 Y1094 W1098F1083-V1096 HydrophobicContact CE2-CG2 3.48Å; F1083-V1096 VanDerWaalsContact CE2-CG2 3.48Å; F1083-V1096 HydrophobicContact CZ-CG2 3.72Å; Y1087-V1096 HydrophobicContact CD2-CG1 4.31Å; Y1087-V1096 HydrophobicContact CE2-CG1 4.12Å; I1093-V1096 HydrophobicContact CB-CB 4.35Å; I1093-V1096 HydrophobicContact CB-CG2 3.8Å; I1093-V1096 HydrophobicContact CD1-CG2 4.29Å; I1093-V1096 HydrophobicContact CG2-CG2 3.71Å; Y1094-V1096 VanDerWaalsContact C-N 3.32Å; Y1094-V1096 PolarHBondContact O-N 2.99Å; V1096-W1098 PolarHBondContact O-N 2.96Å
1097N77.8Confident85.1Confident146 Ų14631.8 Ų31.878%0.78119%0.194SC*.  trans-86.2104.6173.7-71.9-38.5000110.3
1098W85.1Confident85.3Confident16 Ų1635.7 Ų35.76%0.06121%0.211CC..  trans-65.3133.2-179.5-64.492.1000112.6I842 Y1057 Y1087 N1090 L1091 V1096 S1100I842-W1098 HydrophobicContact CD1-CB 4.31Å; Y1057-W1098 HydrophobicContact CD1-CB 4.2Å; Y1057-W1098 AromaticContact CD1-CD1 3.93Å; Y1057-W1098 AromaticContact CD1-CD2 3.56Å; Y1057-W1098 HydrophobicContact CD1-CD2 3.56Å; Y1057-W1098 AromaticContact CD1-CE2 3.91Å; Y1057-W1098 AromaticContact CD1-CE3 4Å; Y1057-W1098 HydrophobicContact CD1-CE3 4Å; Y1057-W1098 AromaticContact CD1-CG 3.62Å; Y1057-W1098 HydrophobicContact CD1-CG 3.62Å; Y1057-W1098 HydrophobicContact CD2-CB 3.48Å; Y1057-W1098 VanDerWaalsContact CD2-CB 3.48Å; Y1057-W1098 HydrophobicContact CD2-CD2 4.45Å; Y1057-W1098 AromaticContact CD2-CG 3.83Å; Y1057-W1098 HydrophobicContact CD2-CG 3.83Å; Y1057-W1098 HydrophobicContact CE1-CB 4.49Å; Y1057-W1098 AromaticContact CE1-CD2 3.68Å; Y1057-W1098 HydrophobicContact CE1-CD2 3.68Å; Y1057-W1098 AromaticContact CE1-CE3 3.6Å; Y1057-W1098 HydrophobicContact CE1-CE3 3.6Å; Y1057-W1098 HydrophobicContact CE1-CG 4.07Å; Y1057-W1098 HydrophobicContact CE1-CZ3 4.14Å; Y1057-W1098 HydrophobicContact CE2-CB 3.79Å; Y1057-W1098 HydrophobicContact CE2-CG 4.23Å; Y1057-W1098 HydrophobicContact CG-CB 3.72Å; Y1057-W1098 AromaticContact CG-CD1 3.77Å; Y1057-W1098 AromaticContact CG-CD2 4Å; Y1057-W1098 HydrophobicContact CG-CD2 4Å; Y1057-W1098 AromaticContact CG-CG 3.51Å; Y1057-W1098 HydrophobicContact CG-CG 3.51Å; Y1057-W1098 AromaticContact CZ-CE3 3.9Å; Y1087-W1098 HydrophobicContact CD2-CH2 4.2Å; Y1087-W1098 HydrophobicContact CD2-CZ3 4.03Å; Y1087-W1098 HydrophobicContact CE2-CE3 4.12Å; Y1087-W1098 HydrophobicContact CE2-CH2 4.4Å; Y1087-W1098 AromaticContact CE2-CZ3 3.83Å; Y1087-W1098 HydrophobicContact CE2-CZ3 3.83Å; N1090-W1098 VanDerWaalsContact OD1-CZ3 3.26Å; N1090-W1098 WeakPolarHBondContact OD1-CZ3 3.39Å; L1091-W1098 WeakPolarHBondContact O-CH2 3.41Å; L1091-W1098 WeakPolarHBondContact O-CZ2 3.39Å; V1096-W1098 PolarHBondContact O-N 2.96Å; W1098-S1100 PolarHBondContact O-N 2.65Å
1099P85.4Confident85.6Confident30 Ų3035.9 Ų35.920%0.19521%0.212CC..  trans-70122.1-176.927.1-34.4000111.7Y1087 A1101 Y1102Y1087-P1099 WeakPolarHBondContact OH-CD 3.32Å; P1099-A1101 PolarHBondContact O-N 3Å; P1099-Y1102 HydrophobicContact CG-CD1 4.38Å; P1099-Y1102 HydrophobicContact CG-CD2 3.8Å; P1099-Y1102 HydrophobicContact CG-CE1 4.14Å; P1099-Y1102 HydrophobicContact CG-CE2 3.54Å; P1099-Y1102 HydrophobicContact CG-CG 4.22Å; P1099-Y1102 PolarHBondContact O-N 3.38Å
1100S87.7Confident85.9Confident35 Ų3532.1 Ų32.125%0.24519%0.192CC..Hα-helixtrans-61.1-20.4-176.268.50000114.2A839 N840 W1098 Y1102 L1103 I1104A839-S1100 WeakPolarHBondContact O-CB 3.41Å; N840-S1100 VanDerWaalsContact OD1-CB 3.28Å; N840-S1100 WeakPolarHBondContact OD1-CB 3.42Å; N840-S1100 PolarHBondContact OD1-OG 3.42Å; W1098-S1100 PolarHBondContact O-N 2.65Å; S1100-Y1102 VanDerWaalsContact C-N 3.27Å; S1100-Y1102 PolarHBondContact O-N 3.08Å; S1100-L1103 PolarHBondContact O-N 3.01Å; S1100-I1104 WeakPolarHBondContact O-CG1 3.35Å; S1100-I1104 PolarHBondContact O-N 3.19Å; S1100-I1104 VanDerWaalsContact O-N 3.13Å
1101A87.7Confident86.2Confident51 Ų5132.3 Ų32.342%0.42119%0.193SC..Hα-helixtrans-56.4-35.3176.400000113.6P1099 I1104 G1105P1099-A1101 PolarHBondContact O-N 3Å; A1101-I1104 PolarHBondContact O-N 3.14Å; A1101-G1105 PolarHBondContact O-N 2.94Å
1102Y90Very high86.6Confident17 Ų1732.3 Ų32.37%0.06719%0.193CC..Hα-helixtrans-67.4-52.4-179.3-60.8-10.7000110.6N1011 R1012 P1099 S1100 I1104 G1105 D1106 N1271N1011-Y1102 WeakPolarHBondContact O-CE1 3.33Å; R1012-Y1102 HydrophobicContact CG-CD1 4.21Å; R1012-Y1102 HydrophobicContact CG-CG 4.33Å; P1099-Y1102 HydrophobicContact CG-CD1 4.38Å; P1099-Y1102 HydrophobicContact CG-CD2 3.8Å; P1099-Y1102 HydrophobicContact CG-CE1 4.14Å; P1099-Y1102 HydrophobicContact CG-CE2 3.54Å; P1099-Y1102 HydrophobicContact CG-CG 4.22Å; P1099-Y1102 PolarHBondContact O-N 3.38Å; S1100-Y1102 VanDerWaalsContact C-N 3.27Å; S1100-Y1102 PolarHBondContact O-N 3.08Å; Y1102-I1104 PolarHBondContact O-N 3.39Å; Y1102-G1105 WeakPolarHBondContact O-CA 3.44Å; Y1102-G1105 PolarHBondContact O-N 3.2Å; Y1102-D1106 PolarHBondContact O-N 3.03Å; Y1102-N1271 PolarHBondContact OH-ND2 3.27Å
1103L90.4Very high87Confident0 Ų031.8 Ų31.80%019%0.19CC..Hα-helixtrans-56.7-35.8175.1-75.3168.3000112.6A839 I842 Y1050 Q1053 F1054 Y1057 S1100 F1107A839-L1103 HydrophobicContact CB-CB 4.17Å; I842-L1103 HydrophobicContact CD1-CD1 4.4Å; Y1050-L1103 HydrophobicContact CD2-CD2 4.13Å; Y1050-L1103 HydrophobicContact CE2-CB 4.3Å; Y1050-L1103 HydrophobicContact CE2-CD2 4.04Å; Y1050-L1103 WeakPolarHBondContact CE2-O 3.49Å; Q1053-L1103 HydrophobicContact CB-CD2 4.39Å; Q1053-L1103 HydrophobicContact CG-CD2 4.15Å; F1054-L1103 HydrophobicContact CB-CD2 4.41Å; F1054-L1103 HydrophobicContact CD2-CD1 3.92Å; Y1057-L1103 HydrophobicContact CD2-CD1 3.78Å; Y1057-L1103 HydrophobicContact CD2-CG 4.09Å; Y1057-L1103 HydrophobicContact CE2-CD1 4.05Å; Y1057-L1103 HydrophobicContact CE2-CD2 4.41Å; Y1057-L1103 HydrophobicContact CE2-CG 3.87Å; S1100-L1103 PolarHBondContact O-N 3.01Å; L1103-F1107 VanDerWaalsContact O-CB 3.24Å; L1103-F1107 WeakPolarHBondContact O-CB 3.35Å; L1103-F1107 PolarHBondContact O-N 3.4Å
1104I90.7Very high87.5Confident37 Ų3731.1 Ų31.119%0.1919%0.188CC..Hα-helixtrans-68.6-39.5175.9-68.5166.3000111.1I836 A839 S1100 A1101 Y1102 F1108I836-I1104 HydrophobicContact CG1-CD1 4.32Å; A839-I1104 HydrophobicContact CB-CD1 4.16Å; A839-I1104 HydrophobicContact CB-CG1 3.82Å; S1100-I1104 WeakPolarHBondContact O-CG1 3.35Å; S1100-I1104 PolarHBondContact O-N 3.19Å; S1100-I1104 VanDerWaalsContact O-N 3.13Å; A1101-I1104 PolarHBondContact O-N 3.14Å; Y1102-I1104 PolarHBondContact O-N 3.39Å; I1104-F1108 HydrophobicContact CG2-CD2 3.8Å; I1104-F1108 HydrophobicContact CG2-CE2 3.69Å; I1104-F1108 WeakPolarHBondContact O-CD2 3.32Å; I1104-F1108 PolarHBondContact O-N 3.43Å
1105G90Very high88Confident13 Ų1330.5 Ų30.513%0.13419%0.189CC..Hα-helixtrans-59-56.2172.200000112.2A1101 Y1102 F1107 F1108 V1109A1101-G1105 PolarHBondContact O-N 2.94Å; Y1102-G1105 WeakPolarHBondContact O-CA 3.44Å; Y1102-G1105 PolarHBondContact O-N 3.2Å; G1105-F1107 VanDerWaalsContact C-N 3.28Å; G1105-F1107 PolarHBondContact O-N 2.93Å; G1105-F1108 PolarHBondContact O-N 3.37Å; G1105-V1109 WeakPolarHBondContact O-CG2 3.19Å; G1105-V1109 PolarHBondContact O-N 3.39Å
1106D90.9Very high89Confident0 Ų027.7 Ų27.70%016%0.16CC..Hα-helixtrans-55.2-41.9177.4-67.5-62.9000112.1R1012 M1046 Y1050 Q1053 Y1102 V1109 L1110R1012-D1106 IonicContact CZ-OD2 2.82Å; R1012-D1106 IonicContact NH1-OD1 2.91Å; R1012-D1106 PolarHBondContact NH1-OD1 3.38Å; R1012-D1106 IonicContact NH1-OD2 3.19Å; R1012-D1106 PolarHBondContact NH1-OD2 2.92Å; M1046-D1106 HydrophobicContact CE-CB 4.03Å; Y1050-D1106 HydrophobicContact CD2-CB 4.23Å; Q1053-D1106 VanDerWaalsContact CD-OD2 3.31Å; Q1053-D1106 PolarHBondContact NE2-OD2 3.4Å; Q1053-D1106 PolarHBondContact OE1-OD2 3.2Å; Q1053-D1106 VanDerWaalsContact OE1-OD2 3.13Å; Y1102-D1106 PolarHBondContact O-N 3.03Å; D1106-V1109 PolarHBondContact O-N 3.03Å; D1106-L1110 WeakPolarHBondContact O-CB 3.31Å; D1106-L1110 PolarHBondContact O-N 3.34Å
1107F92.1Very high89.8Confident2 Ų227.2 Ų27.21%0.00916%0.157CC..Hα-helixtrans-62.3-44.5175.4174.9-88.3000112.5F831 V832 A835 L853 I857 Y1050 L1103 G1105 L1110 L1111F831-F1107 HydrophobicContact CB-CZ 4.06Å; V832-F1107 HydrophobicContact CG2-CE1 3.9Å; A835-F1107 HydrophobicContact CB-CD1 3.89Å; A835-F1107 HydrophobicContact CB-CD2 3.56Å; A835-F1107 HydrophobicContact CB-CE1 3.84Å; A835-F1107 HydrophobicContact CB-CE2 3.46Å; A835-F1107 VanDerWaalsContact CB-CE2 3.46Å; A835-F1107 HydrophobicContact CB-CG 3.77Å; A835-F1107 HydrophobicContact CB-CZ 3.63Å; L853-F1107 HydrophobicContact CD1-CE2 4.28Å; L853-F1107 HydrophobicContact CD2-CD2 4.36Å; L853-F1107 HydrophobicContact CD2-CE2 3.9Å; L853-F1107 HydrophobicContact CG-CE2 4.14Å; I857-F1107 HydrophobicContact CD1-CD2 4.19Å; I857-F1107 HydrophobicContact CD1-CE2 3.51Å; I857-F1107 HydrophobicContact CD1-CZ 4.09Å; Y1050-F1107 HydrophobicContact CD2-CB 4.37Å; Y1050-F1107 HydrophobicContact CE1-CD2 4.47Å; Y1050-F1107 HydrophobicContact CE2-CB 3.86Å; Y1050-F1107 HydrophobicContact CE2-CD2 4.49Å; L1103-F1107 VanDerWaalsContact O-CB 3.24Å; L1103-F1107 WeakPolarHBondContact O-CB 3.35Å; L1103-F1107 PolarHBondContact O-N 3.4Å; G1105-F1107 VanDerWaalsContact C-N 3.28Å; G1105-F1107 PolarHBondContact O-N 2.93Å; F1107-L1110 PolarHBondContact O-N 3.23Å; F1107-L1111 HydrophobicContact CE1-CD2 4.07Å; F1107-L1111 WeakPolarHBondContact O-CB 3.44Å; F1107-L1111 PolarHBondContact O-N 3.43Å
1108F92.5Very high90.2Very high87 Ų8722.6 Ų22.638%0.38214%0.138SC..Hα-helixtrans-67.1-39176.9-84.7-63.2000111.9V832 I1104 G1105 L1111 L1112V832-F1108 HydrophobicContact CG1-CZ 4.27Å; V832-F1108 HydrophobicContact CG2-CE1 4.13Å; V832-F1108 HydrophobicContact CG2-CZ 4.36Å; I1104-F1108 HydrophobicContact CG2-CD2 3.8Å; I1104-F1108 HydrophobicContact CG2-CE2 3.69Å; I1104-F1108 WeakPolarHBondContact O-CD2 3.32Å; I1104-F1108 PolarHBondContact O-N 3.43Å; G1105-F1108 PolarHBondContact O-N 3.37Å; F1108-L1111 PolarHBondContact O-N 3.15Å; F1108-L1112 WeakPolarHBondContact O-CB 3.33Å; F1108-L1112 VanDerWaalsContact O-CG 3.26Å; F1108-L1112 WeakPolarHBondContact O-CG 3.46Å; F1108-L1112 PolarHBondContact O-N 3.46Å
1109V93.4Very high90.3Very high6 Ų622.5 Ų22.54%0.03614%0.139CC..Hα-helixtrans-61.4-45.1173.5172.50000110.5I1005 D1008 Y1042 M1046 G1105 D1106 L1112 A1113I1005-V1109 HydrophobicContact CG1-CG1 4.2Å; D1008-V1109 HydrophobicContact CB-CG2 3.97Å; Y1042-V1109 HydrophobicContact CE1-CG1 4.16Å; Y1042-V1109 WeakPolarHBondContact OH-CG1 3.44Å; M1046-V1109 HydrophobicContact CE-CB 4.17Å; M1046-V1109 HydrophobicContact CE-CG1 3.92Å; M1046-V1109 HydrophobicContact CG-CG1 4.32Å; M1046-V1109 HydrophobicContact SD-CG1 4.26Å; G1105-V1109 WeakPolarHBondContact O-CG2 3.19Å; G1105-V1109 PolarHBondContact O-N 3.39Å; D1106-V1109 PolarHBondContact O-N 3.03Å; V1109-L1112 PolarHBondContact O-N 3.44Å; V1109-A1113 WeakPolarHBondContact O-CB 3.5Å; V1109-A1113 PolarHBondContact O-N 3.09Å
1110L93.3Very high90.5Very high0 Ų021.9 Ų21.90%013%0.134CC..Hα-helixtrans-62-44.3174.5175.858000112.6I857 M1046 A1047 D1106 F1107 S1114I857-L1110 HydrophobicContact CG2-CG 4.47Å; M1046-L1110 HydrophobicContact CB-CB 4.22Å; M1046-L1110 HydrophobicContact CB-CD1 3.93Å; A1047-L1110 HydrophobicContact CB-CD1 4.03Å; D1106-L1110 WeakPolarHBondContact O-CB 3.31Å; D1106-L1110 PolarHBondContact O-N 3.34Å; F1107-L1110 PolarHBondContact O-N 3.23Å; L1110-S1114 VanDerWaalsContact O-CB 3.28Å; L1110-S1114 WeakPolarHBondContact O-CB 3.17Å; L1110-S1114 PolarHBondContact O-N 2.7Å; L1110-S1114 PolarHBondContact O-OG 3.19Å
1111L91.4Very high90.4Very high19 Ų1929.4 Ų29.410%0.09916%0.157CC..Hα-helixtrans-65.7-39.9179.1-178.561.8000112.2V832 F1107 F1108 S1114 C1115V832-L1111 HydrophobicContact CG2-CD2 4.25Å; F1107-L1111 HydrophobicContact CE1-CD2 4.07Å; F1107-L1111 WeakPolarHBondContact O-CB 3.44Å; F1107-L1111 PolarHBondContact O-N 3.43Å; F1108-L1111 PolarHBondContact O-N 3.15Å; L1111-S1114 PolarHBondContact O-OG 2.95Å; L1111-S1114 VanDerWaalsContact O-OG 3.06Å; L1111-C1115 WeakPolarHBondContact O-CB 3.45Å; L1111-C1115 PolarHBondContact O-N 2.65Å; L1111-C1115 VanDerWaalsContact O-N 3.14Å; L1111-C1115 PolarHBondContact O-SG 3.38Å
1112L92.4Very high90.2Very high46 Ų4636.3 Ų36.324%0.24117%0.172CC..Hα-helixtrans-74.7-41176.9-66.6172.4000111.6F993 T1001 A1004 F1108 V1109 C1115 Q1116F993-L1112 HydrophobicContact CE2-CD2 4Å; T1001-L1112 HydrophobicContact CG2-CB 3.69Å; A1004-L1112 HydrophobicContact CB-CD1 3.78Å; F1108-L1112 WeakPolarHBondContact O-CB 3.33Å; F1108-L1112 VanDerWaalsContact O-CG 3.26Å; F1108-L1112 WeakPolarHBondContact O-CG 3.46Å; F1108-L1112 PolarHBondContact O-N 3.46Å; V1109-L1112 PolarHBondContact O-N 3.44Å; L1112-C1115 PolarHBondContact O-N 2.9Å; L1112-Q1116 WeakPolarHBondContact O-CB 3.39Å; L1112-Q1116 PolarHBondContact O-N 3.36Å
1113A92.4Very high89.7Confident1 Ų136.3 Ų36.31%0.00817%0.172CC..Hα-helixtrans-67-38.8178.700000112.5W1039 Y1042 V1043 V1109 Q1116 L1117W1039-A1113 HydrophobicContact CZ2-CB 4Å; W1039-A1113 PolarHBondContact NE1-O 3.26Å; Y1042-A1113 HydrophobicContact CD1-CB 4.13Å; Y1042-A1113 HydrophobicContact CE1-CB 4.03Å; V1043-A1113 HydrophobicContact CG2-CB 3.88Å; V1043-A1113 WeakPolarHBondContact CG2-O 3.46Å; V1109-A1113 WeakPolarHBondContact O-CB 3.5Å; V1109-A1113 PolarHBondContact O-N 3.09Å; A1113-Q1116 PolarHBondContact O-N 3.38Å; A1113-L1117 PolarHBondContact O-N 3.45Å
1114S90.8Very high88.8Confident20 Ų2038.3 Ų38.314%0.1419%0.194CC..Hα-helixtrans-67.7-38.1172.356.90000112.4I857 L1110 L1111 L1117 A1118I857-S1114 WeakPolarHBondContact CG2-OG 3.32Å; L1110-S1114 VanDerWaalsContact O-CB 3.28Å; L1110-S1114 WeakPolarHBondContact O-CB 3.17Å; L1110-S1114 PolarHBondContact O-N 2.7Å; L1110-S1114 PolarHBondContact O-OG 3.19Å; L1111-S1114 PolarHBondContact O-OG 2.95Å; L1111-S1114 VanDerWaalsContact O-OG 3.06Å; S1114-L1117 PolarHBondContact O-N 3.31Å; S1114-A1118 PolarHBondContact O-N 3.1Å; S1114-A1118 VanDerWaalsContact O-N 3.1Å
1115C89.1Confident87.9Confident25 Ų2545.1 Ų45.117%0.16922%0.224CC..Hα-helixtrans-61.9-41.3169.1-73.40000112K828 F993 L1111 L1112 A1118 V1119K828-C1115 PolarHBondContact NZ-SG 3.08Å; K828-C1115 VanDerWaalsContact NZ-SG 3.42Å; F993-C1115 HydrophobicContact CE1-CB 3.68Å; F993-C1115 HydrophobicContact CZ-CB 3.92Å; L1111-C1115 WeakPolarHBondContact O-CB 3.45Å; L1111-C1115 PolarHBondContact O-N 2.65Å; L1111-C1115 VanDerWaalsContact O-N 3.14Å; L1111-C1115 PolarHBondContact O-SG 3.38Å; L1112-C1115 PolarHBondContact O-N 2.9Å; C1115-A1118 WeakPolarHBondContact O-CB 3.41Å; C1115-A1118 PolarHBondContact O-N 3.49Å; C1115-A1118 VanDerWaalsContact O-N 3.17Å; C1115-V1119 PolarHBondContact O-N 3.45Å
1116Q91.3Very high86.9Confident0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-69.5-32.2178-179.854.327.300112.1F993 G997 T1001 W1039 L1112 A1113 A1118 V1119 F1120F993-Q1116 HydrophobicContact CE1-CB 4.29Å; F993-Q1116 HydrophobicContact CZ-CB 4.21Å; G997-Q1116 VanDerWaalsContact C-OE1 3.26Å; G997-Q1116 VanDerWaalsContact CA-OE1 3.31Å; T1001-Q1116 HydrophobicContact CG2-CB 4.17Å; W1039-Q1116 HydrophobicContact CZ2-CB 4.08Å; W1039-Q1116 HydrophobicContact CZ2-CG 3.9Å; L1112-Q1116 WeakPolarHBondContact O-CB 3.39Å; L1112-Q1116 PolarHBondContact O-N 3.36Å; A1113-Q1116 PolarHBondContact O-N 3.38Å; Q1116-A1118 VanDerWaalsContact C-N 3.32Å; Q1116-A1118 PolarHBondContact O-N 3.17Å; Q1116-V1119 WeakPolarHBondContact O-CB 3.44Å; Q1116-V1119 PolarHBondContact O-N 2.84Å; Q1116-F1120 HydrophobicContact CG-CD2 4Å; Q1116-F1120 HydrophobicContact CG-CE2 3.72Å; Q1116-F1120 HydrophobicContact CG-CZ 4.27Å; Q1116-F1120 VanDerWaalsContact NE2-CE1 3.26Å; Q1116-F1120 WeakPolarHBondContact O-CD2 3.34Å; Q1116-F1120 PolarHBondContact O-N 3Å
1117L90.6Very high86.1Confident21 Ų2149.2 Ų49.211%0.1124%0.243CC..Hα-helixtrans-63.4-37.5169.2179.458.3000111.8V1040 V1043 A1113 S1114 V1119 F1120 R1121V1040-L1117 HydrophobicContact CG2-CD1 3.96Å; V1043-L1117 HydrophobicContact CB-CD2 4.21Å; V1043-L1117 HydrophobicContact CG1-CD2 4.13Å; V1043-L1117 HydrophobicContact CG2-CB 4.2Å; V1043-L1117 HydrophobicContact CG2-CD2 4.18Å; A1113-L1117 PolarHBondContact O-N 3.45Å; S1114-L1117 PolarHBondContact O-N 3.31Å; L1117-V1119 VanDerWaalsContact C-N 3.32Å; L1117-F1120 PolarHBondContact O-N 2.96Å; L1117-R1121 HydrophobicContact CD1-CG 4.45Å; L1117-R1121 WeakPolarHBondContact O-CB 3.47Å; L1117-R1121 WeakPolarHBondContact O-CG 3.21Å; L1117-R1121 PolarHBondContact O-N 3.16Å
1118A86.2Confident85Confident48 Ų4851.9 Ų51.940%0.39726%0.258SS..Hα-helixtrans-69.5-26.3173.400000113.4S1114 C1115 Q1116 R1122S1114-A1118 PolarHBondContact O-N 3.1Å; S1114-A1118 VanDerWaalsContact O-N 3.1Å; C1115-A1118 WeakPolarHBondContact O-CB 3.41Å; C1115-A1118 PolarHBondContact O-N 3.49Å; C1115-A1118 VanDerWaalsContact O-N 3.17Å; Q1116-A1118 VanDerWaalsContact C-N 3.32Å; Q1116-A1118 PolarHBondContact O-N 3.17Å; A1118-R1122 WeakPolarHBondContact O-CG 3.15Å
1119V87.8Confident84Confident14 Ų1449.5 Ų49.59%0.08525%0.252CS..Hα-helixtrans-71.7-52.1168.3170.90000110.6F993 Y994 C1115 Q1116 L1117 R1121 R1122 E1123F993-V1119 HydrophobicContact CD1-CG2 3.86Å; F993-V1119 HydrophobicContact CE1-CG2 4.04Å; Y994-V1119 HydrophobicContact CD2-CG1 3.85Å; Y994-V1119 HydrophobicContact CE2-CG1 4.34Å; C1115-V1119 PolarHBondContact O-N 3.45Å; Q1116-V1119 WeakPolarHBondContact O-CB 3.44Å; Q1116-V1119 PolarHBondContact O-N 2.84Å; L1117-V1119 VanDerWaalsContact C-N 3.32Å; V1119-R1121 PolarHBondContact O-N 3.04Å; V1119-R1122 CarbonylContact O-C 3.41Å; V1119-R1122 WeakPolarHBondContact O-CA 3.21Å; V1119-R1122 PolarHBondContact O-N 3.31Å; V1119-E1123 PolarHBondContact O-N 3.29Å; V1119-E1123 VanDerWaalsContact O-N 3.11Å
1120F88.8Confident83Confident17 Ų1750.9 Ų50.98%0.07526%0.258CS..Hα-helixtrans-59.7-28.8-179.7-77-42.1000113.8L998 R1036 W1039 Q1116 L1117 R1122L998-F1120 HydrophobicContact CD1-CZ 4.41Å; L998-F1120 HydrophobicContact CD2-CZ 4.43Å; R1036-F1120 HydrophobicContact CB-CD1 4.11Å; R1036-F1120 HydrophobicContact CB-CE1 4.1Å; R1036-F1120 HydrophobicContact CB-CG 4.43Å; R1036-F1120 HydrophobicContact CB-CZ 4.4Å; R1036-F1120 HydrophobicContact CG-CB 4.13Å; R1036-F1120 HydrophobicContact CG-CD1 3.87Å; R1036-F1120 HydrophobicContact CG-CE1 4.38Å; R1036-F1120 HydrophobicContact CG-CG 3.98Å; W1039-F1120 HydrophobicContact CB-CD2 4.08Å; W1039-F1120 HydrophobicContact CB-CE2 3.98Å; W1039-F1120 AromaticContact CD1-CD2 3.94Å; W1039-F1120 HydrophobicContact CD2-CD2 4.43Å; W1039-F1120 AromaticContact CD2-CE2 3.81Å; W1039-F1120 HydrophobicContact CD2-CE2 3.81Å; W1039-F1120 HydrophobicContact CE3-CE2 4.25Å; W1039-F1120 AromaticContact CG-CD2 3.87Å; W1039-F1120 HydrophobicContact CG-CD2 3.87Å; W1039-F1120 AromaticContact CG-CE2 3.67Å; W1039-F1120 HydrophobicContact CG-CE2 3.67Å; Q1116-F1120 HydrophobicContact CG-CD2 4Å; Q1116-F1120 HydrophobicContact CG-CE2 3.72Å; Q1116-F1120 HydrophobicContact CG-CZ 4.27Å; Q1116-F1120 VanDerWaalsContact NE2-CE1 3.26Å; Q1116-F1120 WeakPolarHBondContact O-CD2 3.34Å; Q1116-F1120 PolarHBondContact O-N 3Å; L1117-F1120 PolarHBondContact O-N 2.96Å; F1120-R1122 VanDerWaalsContact C-N 3.27Å; F1120-R1122 PolarHBondContact O-N 2.87Å
1121R86.4Confident81.9Confident194 Ų19452 Ų5273%0.73226%0.263SS*.THydrogen-bonded Turntrans-75.1-7172.3-73.2176.7179.9178.41.8114.6L1117 V1119L1117-R1121 HydrophobicContact CD1-CG 4.45Å; L1117-R1121 WeakPolarHBondContact O-CB 3.47Å; L1117-R1121 WeakPolarHBondContact O-CG 3.21Å; L1117-R1121 PolarHBondContact O-N 3.16Å; V1119-R1121 PolarHBondContact O-N 3.04Å
1122R83.9Confident80.5Confident195 Ų19555.1 Ų55.174%0.73628%0.28SS*.THydrogen-bonded Turntrans-119-3.7179.1-67.3176.5175.4176.4-0.6113.4A1118 V1119 F1120A1118-R1122 WeakPolarHBondContact O-CG 3.15Å; V1119-R1122 CarbonylContact O-C 3.41Å; V1119-R1122 WeakPolarHBondContact O-CA 3.21Å; V1119-R1122 PolarHBondContact O-N 3.31Å; F1120-R1122 VanDerWaalsContact C-N 3.27Å; F1120-R1122 PolarHBondContact O-N 2.87Å
1123E79.6Confident79.1Confident17 Ų1760 Ų608%0.07931%0.306CS..  trans-88115.9-170.2178.9169.6129.400112.3R1032 V1119 N1127R1032-E1123 IonicContact CZ-OE1 2.69Å; R1032-E1123 IonicContact CZ-OE2 2.93Å; R1032-E1123 IonicContact NE-OE1 3.56Å; R1032-E1123 PolarHBondContact NE-OE1 3.27Å; R1032-E1123 IonicContact NE-OE2 2.62Å; R1032-E1123 IonicContact NH2-OE1 2.69Å; R1032-E1123 PolarHBondContact NH2-OE1 3.37Å; R1032-E1123 IonicContact NH2-OE2 2.67Å; R1032-E1123 PolarHBondContact NH2-OE2 2.99Å; V1119-E1123 PolarHBondContact O-N 3.29Å; V1119-E1123 VanDerWaalsContact O-N 3.11Å; E1123-N1127 VanDerWaalsContact CD-ND2 3.3Å; E1123-N1127 HydrophobicContact CG-CB 4.02Å; E1123-N1127 PolarHBondContact OE2-ND2 2.73Å
1124G72.1Confident77.6Confident43 Ų4361.8 Ų61.844%0.44333%0.325SS..  trans-88.5-153.2165.900000112.7D1126G1124-D1126 PolarHBondContact O-N 3.18Å; G1124-D1126 VanDerWaalsContact O-N 3.17Å
1125E70.8Confident76.4Confident179 Ų17966.2 Ų66.284%0.83635%0.347SS*.G310 helixtrans-66.4-15.3-178.7-57.2-177.9158.800113.9N1127 D1128E1125-N1127 PolarHBondContact O-N 2.83Å; E1125-D1128 PolarHBondContact O-N 2.83Å
1126D69.6Low75.3Confident96 Ų9667 Ų6751%0.51335%0.347SS..G310 helixtrans-51-15.1-173.9-139.962.6000116.5K995 G1124K995-D1126 PolarHBondContact NZ-O 3.06Å; K995-D1126 IonicContact NZ-OD2 3.16Å; K995-D1126 PolarHBondContact NZ-OD2 2.88Å; G1124-D1126 PolarHBondContact O-N 3.18Å; G1124-D1126 VanDerWaalsContact O-N 3.17Å
1127N74.7Confident74.2Confident4 Ų471.9 Ų71.92%0.02138%0.377CS..G310 helixtrans-121.8-6.3-170.8-82.5-5.6000114.9Y994 K995 R1032 E1123 E1125 R1311Y994-N1127 PolarHBondContact O-ND2 3.27Å; K995-N1127 WeakPolarHBondContact CD-OD1 3.36Å; K995-N1127 WeakPolarHBondContact CE-OD1 3.49Å; K995-N1127 PolarHBondContact NZ-OD1 3.37Å; R1032-N1127 PolarHBondContact NH2-ND2 3.14Å; E1123-N1127 VanDerWaalsContact CD-ND2 3.3Å; E1123-N1127 HydrophobicContact CG-CB 4.02Å; E1123-N1127 PolarHBondContact OE2-ND2 2.73Å; E1125-N1127 PolarHBondContact O-N 2.83Å; N1127-R1311 PolarHBondContact O-NH1 3.32Å
1128D68Low73.3Confident58 Ų5871.4 Ų71.431%0.3137%0.374SS..  trans-71176.4-178.6-83.1-37000113.2E1125E1125-D1128 PolarHBondContact O-N 2.83Å
1129S72.2Confident72.7Confident36 Ų3674.3 Ų74.325%0.25238%0.378SS..  trans-93.1157-172.284.80000113Y1131 N1132S1129-Y1131 PolarHBondContact O-N 2.93Å; S1129-Y1131 PolarHBondContact OG-N 3.04Å; S1129-N1132 PolarHBondContact N-OD1 3.48Å; S1129-N1132 PolarHBondContact O-ND2 2.97Å; S1129-N1132 PolarHBondContact O-OD1 3.17Å; S1129-N1132 PolarHBondContact OG-OD1 3.3Å
1130I71.1Confident71.9Confident35 Ų3578 Ų7818%0.17940%0.402CS..THydrogen-bonded Turntrans-68.9-23.4175.9-58.9168.7000111.9H1314 S1315 W1316I1130-H1314 WeakPolarHBondContact CD1-O 3.09Å; I1130-S1315 VanDerWaalsContact CD1-C 3.42Å; I1130-W1316 HydrophobicContact CD1-CB 4.02Å; I1130-W1316 HydrophobicContact CD1-CD2 3.5Å; I1130-W1316 HydrophobicContact CD1-CE3 4.11Å; I1130-W1316 HydrophobicContact CD1-CG 3.42Å; I1130-W1316 VanDerWaalsContact CD1-CG 3.42Å; I1130-W1316 HydrophobicContact CG1-CD2 4Å; I1130-W1316 HydrophobicContact CG1-CG 4.21Å; I1130-W1316 HydrophobicContact CG1-CZ2 4.18Å; I1130-W1316 HydrophobicContact CG2-CE3 4.43Å; I1130-W1316 HydrophobicContact CG2-CH2 4.1Å; I1130-W1316 HydrophobicContact CG2-CZ2 4.17Å; I1130-W1316 HydrophobicContact CG2-CZ3 4.22Å
1131Y70.5Confident71.1Confident24 Ų2485.2 Ų85.29%0.09444%0.436CS..THydrogen-bonded Turntrans-110.841.1-171-47.1-59.4000112.2S1129 D1133 G1134 F1136 F1213 H1314S1129-Y1131 PolarHBondContact O-N 2.93Å; S1129-Y1131 PolarHBondContact OG-N 3.04Å; Y1131-D1133 VanDerWaalsContact C-N 3.26Å; Y1131-D1133 PolarHBondContact O-N 2.95Å; Y1131-G1134 PolarHBondContact O-N 2.99Å; Y1131-F1136 AromaticContact CD1-CD1 3.68Å; Y1131-F1136 HydrophobicContact CD1-CD1 3.68Å; Y1131-F1136 HydrophobicContact CD1-CE1 4.29Å; Y1131-F1136 AromaticContact CD2-CD1 3.61Å; Y1131-F1136 HydrophobicContact CD2-CD1 3.61Å; Y1131-F1136 AromaticContact CD2-CE1 3.46Å; Y1131-F1136 HydrophobicContact CD2-CE1 3.46Å; Y1131-F1136 VanDerWaalsContact CD2-CE1 3.46Å; Y1131-F1136 HydrophobicContact CE1-CD1 4.01Å; Y1131-F1136 AromaticContact CE2-CD1 3.95Å; Y1131-F1136 HydrophobicContact CE2-CD1 3.95Å; Y1131-F1136 HydrophobicContact CE2-CE1 4.05Å; Y1131-F1136 AromaticContact CG-CD1 3.47Å; Y1131-F1136 HydrophobicContact CG-CD1 3.47Å; Y1131-F1136 VanDerWaalsContact CG-CD1 3.47Å; Y1131-F1136 AromaticContact CG-CE1 3.6Å; Y1131-F1136 HydrophobicContact CG-CE1 3.6Å; Y1131-F1213 HydrophobicContact CE2-CE1 4.17Å; Y1131-H1314 AromaticContact CD2-ND1 3.63Å
1132N62.2Low70.7Confident85 Ų8577.3 Ų77.346%0.45541%0.408SS..THydrogen-bonded Turntrans-54-40.4-173.6-77.5-13000113.4S1129 G1134S1129-N1132 PolarHBondContact N-OD1 3.48Å; S1129-N1132 PolarHBondContact O-ND2 2.97Å; S1129-N1132 PolarHBondContact O-OD1 3.17Å; S1129-N1132 PolarHBondContact OG-OD1 3.3Å; N1132-G1134 VanDerWaalsContact C-N 3.27Å; N1132-G1134 PolarHBondContact O-N 3.09Å
1133D62.5Low70.4Confident149 Ų14972.6 Ų72.680%0.79740%0.403SS*.THydrogen-bonded Turntrans-81.21.9-179.3-50-40.6000114.1Y1131 N1135Y1131-D1133 VanDerWaalsContact C-N 3.26Å; Y1131-D1133 PolarHBondContact O-N 2.95Å; D1133-N1135 PolarHBondContact O-N 2.97Å; D1133-N1135 VanDerWaalsContact O-N 3.09Å
1134G62.2Low70.4Confident38 Ų3874.2 Ų74.239%0.39241%0.411SS..SBendtrans74-13.1-176.600000115.7Y1131 N1132 F1136Y1131-G1134 PolarHBondContact O-N 2.99Å; N1132-G1134 VanDerWaalsContact C-N 3.27Å; N1132-G1134 PolarHBondContact O-N 3.09Å; G1134-F1136 VanDerWaalsContact O-CD2 3.3Å; G1134-F1136 WeakPolarHBondContact O-CD2 3.22Å; G1134-F1136 WeakPolarHBondContact O-CE2 3.43Å; G1134-F1136 PolarHBondContact O-N 2.99Å
1135N64.3Low70.9Confident113 Ų11375.8 Ų75.860%0.60440%0.404SS*.  trans-80.2105.9175-79.9-48.3000111.7D1133 V1137D1133-N1135 PolarHBondContact O-N 2.97Å; D1133-N1135 VanDerWaalsContact O-N 3.09Å; N1135-V1137 VanDerWaalsContact C-N 3.35Å; N1135-V1137 PolarHBondContact O-N 3.37Å
1136F67.6Low71.3Confident42 Ų4268.8 Ų68.818%0.18437%0.372CS..  trans-77.676.6177.4-59.1-82000112.4Y1131 G1134 M1206 F1213 E1214 L1217Y1131-F1136 AromaticContact CD1-CD1 3.68Å; Y1131-F1136 HydrophobicContact CD1-CD1 3.68Å; Y1131-F1136 HydrophobicContact CD1-CE1 4.29Å; Y1131-F1136 AromaticContact CD2-CD1 3.61Å; Y1131-F1136 HydrophobicContact CD2-CD1 3.61Å; Y1131-F1136 AromaticContact CD2-CE1 3.46Å; Y1131-F1136 HydrophobicContact CD2-CE1 3.46Å; Y1131-F1136 VanDerWaalsContact CD2-CE1 3.46Å; Y1131-F1136 HydrophobicContact CE1-CD1 4.01Å; Y1131-F1136 AromaticContact CE2-CD1 3.95Å; Y1131-F1136 HydrophobicContact CE2-CD1 3.95Å; Y1131-F1136 HydrophobicContact CE2-CE1 4.05Å; Y1131-F1136 AromaticContact CG-CD1 3.47Å; Y1131-F1136 HydrophobicContact CG-CD1 3.47Å; Y1131-F1136 VanDerWaalsContact CG-CD1 3.47Å; Y1131-F1136 AromaticContact CG-CE1 3.6Å; Y1131-F1136 HydrophobicContact CG-CE1 3.6Å; G1134-F1136 VanDerWaalsContact O-CD2 3.3Å; G1134-F1136 WeakPolarHBondContact O-CD2 3.22Å; G1134-F1136 WeakPolarHBondContact O-CE2 3.43Å; G1134-F1136 PolarHBondContact O-N 2.99Å; F1136-M1206 HydrophobicContact CB-CE 4.23Å; F1136-F1213 HydrophobicContact CB-CD1 4.18Å; F1136-F1213 AromaticContact CD1-CD1 3.41Å; F1136-F1213 HydrophobicContact CD1-CD1 3.41Å; F1136-F1213 VanDerWaalsContact CD1-CD1 3.41Å; F1136-F1213 AromaticContact CD1-CE1 3.66Å; F1136-F1213 HydrophobicContact CD1-CE1 3.66Å; F1136-F1213 HydrophobicContact CD2-CD1 4.43Å; F1136-F1213 AromaticContact CE1-CD1 3.81Å; F1136-F1213 HydrophobicContact CE1-CD1 3.81Å; F1136-F1213 AromaticContact CE1-CE1 3.77Å; F1136-F1213 HydrophobicContact CE1-CE1 3.77Å; F1136-F1213 AromaticContact CG-CD1 3.76Å; F1136-F1213 HydrophobicContact CG-CD1 3.76Å; F1136-F1213 HydrophobicContact CG-CE1 4.46Å; F1136-F1213 HydrophobicContact CZ-CD1 4.49Å; F1136-E1214 HydrophobicContact CD2-CB 4.08Å; F1136-E1214 HydrophobicContact CE2-CB 3.98Å; F1136-E1214 HydrophobicContact CE2-CG 4.06Å; F1136-L1217 HydrophobicContact CE1-CD2 4.48Å; F1136-L1217 HydrophobicContact CZ-CD2 3.96Å
1137V67Low72.2Confident101 Ų10164.2 Ų64.261%0.61235%0.347SS*.  trans-99.1125173.4-176.30000110N1135 K1139N1135-V1137 VanDerWaalsContact C-N 3.35Å; N1135-V1137 PolarHBondContact O-N 3.37Å; V1137-K1139 PolarHBondContact O-N 3.25Å
1138I71.8Confident72.5Confident12 Ų1264.9 Ų64.96%0.06235%0.351CS..  trans-68.4110.3171-59.7179000107.9M1206 Q1319 M1322I1138-M1206 HydrophobicContact CD1-SD 3.72Å; I1138-M1206 HydrophobicContact CG1-CE 4.47Å; I1138-M1206 HydrophobicContact CG1-SD 4.07Å; I1138-Q1319 HydrophobicContact CG2-CG 3.88Å; I1138-M1322 HydrophobicContact CD1-CE 4.44Å
1139K73.3Confident72.9Confident108 Ų10864.8 Ų64.847%0.4735%0.35SS..  trans-73.3127.3176.2-67.3-176.9177.4-178.10109.3V1137 E1141 W1316 Q1319V1137-K1139 PolarHBondContact O-N 3.25Å; K1139-E1141 VanDerWaalsContact C-N 3.27Å; K1139-E1141 PolarHBondContact O-N 3.48Å; K1139-W1316 HydrophobicContact CD-CH2 4.11Å; K1139-W1316 HydrophobicContact CD-CZ3 4.35Å; K1139-Q1319 PolarHBondContact O-NE2 3.49Å
1140P70.5Confident73Confident92 Ų9265.6 Ų65.660%0.59735%0.354SS*.SBendtrans-63.3-35.4-178.524.4-33000111.9
1141E73.6Confident73.3Confident169 Ų16967.7 Ų67.779%0.7936%0.361SS*.  trans-89.2115.3171.4-61.4-172.4157.200110.9K1139K1139-E1141 VanDerWaalsContact C-N 3.27Å; K1139-E1141 PolarHBondContact O-N 3.48Å
1142N77.9Confident73.4Confident28 Ų2874.1 Ų74.115%0.1539%0.39CS..  trans-107125.8171-174.5-21.3000108.5Q1144 W1316 H1320N1142-Q1144 PolarHBondContact O-N 2.92Å; N1142-Q1144 VanDerWaalsContact O-N 3.08Å; N1142-Q1144 PolarHBondContact OD1-N 2.89Å; N1142-W1316 PolarHBondContact ND2-O 3.31Å; N1142-H1320 PolarHBondContact ND2-NE2 2.85Å
1143P77.3Confident74Confident96 Ų9671.1 Ų71.162%0.62338%0.376SS*.SBendtrans-66.8-7.3179.927.8-36.1000114.2W1316P1143-W1316 HydrophobicContact CG-CD2 4.12Å; P1143-W1316 HydrophobicContact CG-CE3 4.28Å; P1143-W1316 HydrophobicContact CG-CH2 4.49Å; P1143-W1316 HydrophobicContact CG-CZ2 4.36Å; P1143-W1316 HydrophobicContact CG-CZ3 4.46Å
1144Q78.4Confident74.7Confident51 Ų5172 Ų7224%0.23837%0.369CS..SBendtrans-108.5134.9176.2-62.6-66.1-39.300110.9N1142 W1316 Y1317 H1320N1142-Q1144 PolarHBondContact O-N 2.92Å; N1142-Q1144 VanDerWaalsContact O-N 3.08Å; N1142-Q1144 PolarHBondContact OD1-N 2.89Å; Q1144-W1316 HydrophobicContact CG-CB 4.29Å; Q1144-Y1317 HydrophobicContact CB-CD1 4.25Å; Q1144-Y1317 HydrophobicContact CB-CE1 3.74Å; Q1144-Y1317 VanDerWaalsContact CD-OH 3.3Å; Q1144-Y1317 HydrophobicContact CG-CD1 4.49Å; Q1144-Y1317 HydrophobicContact CG-CE1 3.74Å; Q1144-Y1317 PolarHBondContact OE1-OH 3.15Å; Q1144-H1320 PolarHBondContact O-NE2 2.94Å
1145Y82.9Confident75.8Confident76 Ų7670.8 Ų70.830%0.29835%0.354SS..  trans-66.2154.1-179.964.2-89.6000112.8F1147 D1156 H1320Y1145-F1147 HydrophobicContact CE2-CB 4.11Å; Y1145-F1147 PolarHBondContact O-N 3.19Å; Y1145-D1156 WeakPolarHBondContact CE2-OD1 3.35Å; Y1145-D1156 PolarHBondContact OH-OD1 3.5Å; Y1145-H1320 PolarHBondContact O-NE2 3.36Å
1146D80.5Confident76.8Confident31 Ų3165.4 Ų65.417%0.16633%0.325CS..  trans-70.9101.6174.9-171.4-10.5000110.6I1148 D1149 T1150 K1543D1146-I1148 VanDerWaalsContact C-N 3.33Å; D1146-I1148 WeakPolarHBondContact OD1-CA 3.48Å; D1146-I1148 WeakPolarHBondContact OD1-CB 3.34Å; D1146-I1148 PolarHBondContact OD1-N 3.05Å; D1146-D1149 PolarHBondContact OD1-N 3.27Å; D1146-T1150 PolarHBondContact O-N 2.86Å; D1146-T1150 PolarHBondContact O-OG1 2.04Å; D1146-K1543 IonicContact OD2-NZ 3.4Å; D1146-K1543 PolarHBondContact OD2-NZ 2.94Å
1147F86.8Confident77.4Confident0 Ų068.7 Ų68.70%034%0.337CS..THydrogen-bonded Turntrans-81.5-7.2177.264.8-85.9000113.4Y1145 K1151 D1156 K1159 F1163 Y1317 H1320Y1145-F1147 HydrophobicContact CE2-CB 4.11Å; Y1145-F1147 PolarHBondContact O-N 3.19Å; F1147-K1151 WeakPolarHBondContact O-CE 3.33Å; F1147-K1151 WeakPolarHBondContact O-CG 3.46Å; F1147-D1156 HydrophobicContact CB-CB 4.16Å; F1147-K1159 HydrophobicContact CB-CD 4.27Å; F1147-K1159 HydrophobicContact CD2-CB 3.64Å; F1147-K1159 HydrophobicContact CD2-CD 4.45Å; F1147-K1159 HydrophobicContact CE2-CB 3.91Å; F1147-K1159 HydrophobicContact CG-CB 4.18Å; F1147-K1159 HydrophobicContact CG-CD 4.16Å; F1147-F1163 HydrophobicContact CE2-CB 4.46Å; F1147-F1163 HydrophobicContact CZ-CB 4.13Å; F1147-F1163 HydrophobicContact CZ-CD2 4.34Å; F1147-Y1317 AromaticContact CD1-CD1 3.88Å; F1147-Y1317 HydrophobicContact CD1-CD1 3.88Å; F1147-Y1317 AromaticContact CE1-CD1 3.73Å; F1147-Y1317 HydrophobicContact CE1-CD1 3.73Å; F1147-Y1317 HydrophobicContact CE1-CG 4.19Å; F1147-Y1317 WeakPolarHBondContact CE1-O 3.34Å; F1147-Y1317 WeakPolarHBondContact CZ-O 3.45Å; F1147-H1320 HydrophobicContact CE1-CB 4.17Å; F1147-H1320 AromaticContact CE1-CD2 3.99Å
1148I83Confident78.2Confident19 Ų1970.5 Ų70.510%0.09734%0.337CS..THydrogen-bonded Turntrans-79.8-49.4176-53.1178.7000108.7D1146 K1151 H1320 C1321 E1324D1146-I1148 VanDerWaalsContact C-N 3.33Å; D1146-I1148 WeakPolarHBondContact OD1-CA 3.48Å; D1146-I1148 WeakPolarHBondContact OD1-CB 3.34Å; D1146-I1148 PolarHBondContact OD1-N 3.05Å; I1148-K1151 WeakPolarHBondContact O-CE 3.5Å; I1148-H1320 HydrophobicContact CD1-CB 4.02Å; I1148-C1321 HydrophobicContact CD1-CB 4.41Å; I1148-E1324 HydrophobicContact CD1-CB 4.26Å; I1148-E1324 HydrophobicContact CG2-CG 4.45Å
1149D76Confident78.9Confident56 Ų5670.4 Ų70.430%0.29934%0.336SS..THydrogen-bonded Turntrans-83.5-41.5179.5-72.913.7000112.4D1146 K1543D1146-D1149 PolarHBondContact OD1-N 3.27Å; D1149-K1543 IonicContact OD1-NZ 2.82Å; D1149-K1543 PolarHBondContact OD1-NZ 3.02Å; D1149-K1543 WeakPolarHBondContact OD2-CD 3.38Å; D1149-K1543 IonicContact OD2-NZ 3.92Å; D1149-K1543 PolarHBondContact OD2-NZ 2.97Å; D1149-K1543 VanDerWaalsContact OD2-NZ 3.16Å
1150T73.2Confident79.5Confident52 Ų5265.8 Ų65.832%0.31932%0.318SS..  trans-109.570.8-174.5710000112.7D1146 K1152D1146-T1150 PolarHBondContact O-N 2.86Å; D1146-T1150 PolarHBondContact O-OG1 2.04Å; T1150-K1152 PolarHBondContact O-N 2.95Å; T1150-K1152 VanDerWaalsContact O-N 3.08Å
1151K77.3Confident80.2Confident79 Ų7966.9 Ų66.934%0.34331%0.313SS..  trans-73.992.7178.1-70.9170.1177.6165.20111.5F1147 I1148 D1156 Y1157 S1160F1147-K1151 WeakPolarHBondContact O-CE 3.33Å; F1147-K1151 WeakPolarHBondContact O-CG 3.46Å; I1148-K1151 WeakPolarHBondContact O-CE 3.5Å; K1151-D1156 HydrophobicContact CB-CB 4.38Å; K1151-D1156 HydrophobicContact CG-CB 4.25Å; K1151-Y1157 HydrophobicContact CB-CD2 4.38Å; K1151-Y1157 HydrophobicContact CB-CE2 3.83Å; K1151-Y1157 HydrophobicContact CD-CD1 4.37Å; K1151-Y1157 HydrophobicContact CD-CE1 4.07Å; K1151-Y1157 HydrophobicContact CD-CE2 4.4Å; K1151-Y1157 HydrophobicContact CG-CE2 4.49Å; K1151-S1160 PolarHBondContact NZ-OG 3.33Å
1152K73.9Confident80.9Confident159 Ų15960.8 Ų60.869%0.69129%0.288SS*.  trans-95.2-29.6-176.3-65.5168.6-171.3171.40112.8T1150 D1156T1150-K1152 PolarHBondContact O-N 2.95Å; T1150-K1152 VanDerWaalsContact O-N 3.08Å; K1152-D1156 PolarHBondContact N-OD2 3.08Å
1153S75Confident81.4Confident23 Ų2360.9 Ų60.916%0.16129%0.286CS..SBendtrans-125.3153.9-173.2-179.80000111.1D978 V1155 D1156D978-S1153 PolarHBondContact O-OG 3.41Å; S1153-V1155 PolarHBondContact O-N 3.45Å; S1153-V1155 WeakPolarHBondContact OG-CB 3.45Å; S1153-V1155 PolarHBondContact OG-N 3.38Å; S1153-V1155 VanDerWaalsContact OG-N 3.17Å; S1153-D1156 PolarHBondContact N-OD2 2.67Å; S1153-D1156 WeakPolarHBondContact O-CB 3.5Å; S1153-D1156 PolarHBondContact O-N 3.19Å
1154Y77.2Confident81.8Confident168 Ų16856.7 Ų56.766%0.65926%0.259SS*.Hα-helixtrans-58.8-24.8166.2-74.7-79000112D1156 Y1157 F1158Y1154-D1156 VanDerWaalsContact C-N 3.27Å; Y1154-D1156 PolarHBondContact O-N 2.73Å; Y1154-Y1157 PolarHBondContact O-N 3.4Å; Y1154-F1158 PolarHBondContact O-N 2.91Å; Y1154-F1158 VanDerWaalsContact O-N 3.17Å
1155V83.7Confident82.2Confident12 Ų1258.4 Ų58.47%0.07326%0.264CS..Hα-helixtrans-63.2-32.7171.5-177.20000111.2S1153 F1158 K1159S1153-V1155 PolarHBondContact O-N 3.45Å; S1153-V1155 WeakPolarHBondContact OG-CB 3.45Å; S1153-V1155 PolarHBondContact OG-N 3.38Å; S1153-V1155 VanDerWaalsContact OG-N 3.17Å; V1155-F1158 PolarHBondContact O-N 3.45Å; V1155-K1159 HydrophobicContact CG1-CG 4.49Å; V1155-K1159 WeakPolarHBondContact O-CG 3.45Å; V1155-K1159 PolarHBondContact O-N 3Å
1156D84.9Confident82.4Confident0 Ų055.2 Ų55.20%025%0.254CS..Hα-helixtrans-71.1-34177.9-58.6-40.2000112.3Y1145 F1147 K1151 K1152 S1153 Y1154 S1160Y1145-D1156 WeakPolarHBondContact CE2-OD1 3.35Å; Y1145-D1156 PolarHBondContact OH-OD1 3.5Å; F1147-D1156 HydrophobicContact CB-CB 4.16Å; K1151-D1156 HydrophobicContact CB-CB 4.38Å; K1151-D1156 HydrophobicContact CG-CB 4.25Å; K1152-D1156 PolarHBondContact N-OD2 3.08Å; S1153-D1156 PolarHBondContact N-OD2 2.67Å; S1153-D1156 WeakPolarHBondContact O-CB 3.5Å; S1153-D1156 PolarHBondContact O-N 3.19Å; Y1154-D1156 VanDerWaalsContact C-N 3.27Å; Y1154-D1156 PolarHBondContact O-N 2.73Å; D1156-S1160 VanDerWaalsContact O-CB 3.23Å; D1156-S1160 WeakPolarHBondContact O-CB 3.42Å; D1156-S1160 PolarHBondContact O-N 3.47Å
1157Y80.4Confident82.7Confident111 Ų11153.9 Ų53.944%0.43525%0.247SC..Hα-helixtrans-65.5-40.6170.9-73.9-95.1000111.1K1151 Y1154 S1160 F1161K1151-Y1157 HydrophobicContact CB-CD2 4.38Å; K1151-Y1157 HydrophobicContact CB-CE2 3.83Å; K1151-Y1157 HydrophobicContact CD-CD1 4.37Å; K1151-Y1157 HydrophobicContact CD-CE1 4.07Å; K1151-Y1157 HydrophobicContact CD-CE2 4.4Å; K1151-Y1157 HydrophobicContact CG-CE2 4.49Å; Y1154-Y1157 PolarHBondContact O-N 3.4Å; Y1157-S1160 WeakPolarHBondContact O-CB 3.23Å; Y1157-S1160 PolarHBondContact O-N 3.37Å; Y1157-F1161 PolarHBondContact O-N 3.39Å
1158F84Confident82.7Confident139 Ų13956.1 Ų56.161%0.6126%0.255SS*.Hα-helixtrans-67-43.6175.3-172.8-104000112.4Y1154 V1155 S1160 F1161 V1162Y1154-F1158 PolarHBondContact O-N 2.91Å; Y1154-F1158 VanDerWaalsContact O-N 3.17Å; V1155-F1158 PolarHBondContact O-N 3.45Å; F1158-S1160 VanDerWaalsContact C-N 3.33Å; F1158-S1160 PolarHBondContact O-N 2.94Å; F1158-F1161 WeakPolarHBondContact O-CB 3.14Å; F1158-F1161 PolarHBondContact O-N 3.5Å; F1158-F1161 VanDerWaalsContact O-N 3.15Å; F1158-V1162 HydrophobicContact CD1-CG2 4.35Å; F1158-V1162 HydrophobicContact CE1-CG2 3.95Å; F1158-V1162 HydrophobicContact CE2-CG2 4.4Å; F1158-V1162 HydrophobicContact CZ-CG2 3.98Å; F1158-V1162 WeakPolarHBondContact O-CG2 3.33Å; F1158-V1162 PolarHBondContact O-N 3.03Å
1159K87.8Confident83Confident10 Ų1058.2 Ų58.24%0.04327%0.266CS..Hα-helixtrans-55.8-47.1169.4-74.5175.6175177.20111.3D978 F1147 V1155 F1161 V1162 F1163 Y1317D978-K1159 WeakPolarHBondContact OD1-CE 3.43Å; D978-K1159 IonicContact OD1-NZ 2.62Å; D978-K1159 PolarHBondContact OD1-NZ 3.32Å; D978-K1159 IonicContact OD2-NZ 2.71Å; D978-K1159 PolarHBondContact OD2-NZ 2.9Å; F1147-K1159 HydrophobicContact CB-CD 4.27Å; F1147-K1159 HydrophobicContact CD2-CB 3.64Å; F1147-K1159 HydrophobicContact CD2-CD 4.45Å; F1147-K1159 HydrophobicContact CE2-CB 3.91Å; F1147-K1159 HydrophobicContact CG-CB 4.18Å; F1147-K1159 HydrophobicContact CG-CD 4.16Å; V1155-K1159 HydrophobicContact CG1-CG 4.49Å; V1155-K1159 WeakPolarHBondContact O-CG 3.45Å; V1155-K1159 PolarHBondContact O-N 3Å; K1159-F1161 VanDerWaalsContact C-N 3.25Å; K1159-F1161 PolarHBondContact O-N 2.8Å; K1159-V1162 PolarHBondContact O-N 3.32Å; K1159-F1163 HydrophobicContact CB-CD2 4.02Å; K1159-F1163 HydrophobicContact CB-CE2 4.33Å; K1159-F1163 HydrophobicContact CG-CD2 4.38Å; K1159-F1163 HydrophobicContact CG-CE2 4.19Å; K1159-F1163 WeakPolarHBondContact O-CB 3.37Å; K1159-F1163 VanDerWaalsContact O-CD2 3.3Å; K1159-F1163 WeakPolarHBondContact O-CD2 3.46Å; K1159-F1163 PolarHBondContact O-N 3.48Å; K1159-Y1317 HydrophobicContact CD-CD1 4.47Å; K1159-Y1317 HydrophobicContact CD-CE1 4.31Å
1160S85.2Confident83.6Confident11 Ų1155.7 Ų55.78%0.07725%0.253CS..Hα-helixtrans-60.7-33.8177.4-173.20000112.1K1151 D1156 Y1157 F1158 H1164K1151-S1160 PolarHBondContact NZ-OG 3.33Å; D1156-S1160 VanDerWaalsContact O-CB 3.23Å; D1156-S1160 WeakPolarHBondContact O-CB 3.42Å; D1156-S1160 PolarHBondContact O-N 3.47Å; Y1157-S1160 WeakPolarHBondContact O-CB 3.23Å; Y1157-S1160 PolarHBondContact O-N 3.37Å; F1158-S1160 VanDerWaalsContact C-N 3.33Å; F1158-S1160 PolarHBondContact O-N 2.94Å; S1160-H1164 VanDerWaalsContact O-CB 3.28Å; S1160-H1164 WeakPolarHBondContact O-CB 3.19Å; S1160-H1164 PolarHBondContact O-N 3.12Å
1161F85.5Confident84.4Confident114 Ų11453.6 Ų53.650%0.524%0.239SC..Hα-helixtrans-69.2-54.7173.6-178.5-103.4000111.5Y1157 F1158 K1159 Y1165 G1166 I1169Y1157-F1161 PolarHBondContact O-N 3.39Å; F1158-F1161 WeakPolarHBondContact O-CB 3.14Å; F1158-F1161 PolarHBondContact O-N 3.5Å; F1158-F1161 VanDerWaalsContact O-N 3.15Å; K1159-F1161 VanDerWaalsContact C-N 3.25Å; K1159-F1161 PolarHBondContact O-N 2.8Å; F1161-Y1165 HydrophobicContact CD2-CD2 4.41Å; F1161-Y1165 WeakPolarHBondContact O-CB 3.22Å; F1161-Y1165 PolarHBondContact O-N 3.28Å; F1161-Y1165 VanDerWaalsContact O-N 3.17Å; F1161-G1166 PolarHBondContact O-N 3.35Å; F1161-I1169 HydrophobicContact CE1-CD1 4.15Å; F1161-I1169 HydrophobicContact CE2-CD1 4.46Å; F1161-I1169 HydrophobicContact CZ-CD1 3.78Å
1162V87.6Confident84.8Confident42 Ų4252.6 Ų52.626%0.25524%0.236SC..Hα-helixtrans-63.4-52.7-175.9175.40000112.2F1158 K1159 G1166 I1312F1158-V1162 HydrophobicContact CD1-CG2 4.35Å; F1158-V1162 HydrophobicContact CE1-CG2 3.95Å; F1158-V1162 HydrophobicContact CE2-CG2 4.4Å; F1158-V1162 HydrophobicContact CZ-CG2 3.98Å; F1158-V1162 WeakPolarHBondContact O-CG2 3.33Å; F1158-V1162 PolarHBondContact O-N 3.03Å; K1159-V1162 PolarHBondContact O-N 3.32Å; V1162-G1166 WeakPolarHBondContact O-CA 3.38Å; V1162-G1166 PolarHBondContact O-N 3.15Å; V1162-I1312 HydrophobicContact CG1-CD1 3.82Å; V1162-I1312 HydrophobicContact CG1-CG1 4.48Å
1163F89.1Confident85.5Confident29 Ų2945.9 Ų45.913%0.12721%0.21CC..Hα-helixtrans-81.1-32.4-170-65.9-67.8000114.2F1147 K1159 I1312 Y1317F1147-F1163 HydrophobicContact CE2-CB 4.46Å; F1147-F1163 HydrophobicContact CZ-CB 4.13Å; F1147-F1163 HydrophobicContact CZ-CD2 4.34Å; K1159-F1163 HydrophobicContact CB-CD2 4.02Å; K1159-F1163 HydrophobicContact CB-CE2 4.33Å; K1159-F1163 HydrophobicContact CG-CD2 4.38Å; K1159-F1163 HydrophobicContact CG-CE2 4.19Å; K1159-F1163 WeakPolarHBondContact O-CB 3.37Å; K1159-F1163 VanDerWaalsContact O-CD2 3.3Å; K1159-F1163 WeakPolarHBondContact O-CD2 3.46Å; K1159-F1163 PolarHBondContact O-N 3.48Å; F1163-I1312 HydrophobicContact CD1-CG1 4.21Å; F1163-I1312 HydrophobicContact CD1-CG2 4.01Å; F1163-I1312 HydrophobicContact CE1-CG1 4.06Å; F1163-Y1317 HydrophobicContact CD2-CD2 4.33Å; F1163-Y1317 HydrophobicContact CD2-CG 4.07Å; F1163-Y1317 HydrophobicContact CE1-CD2 4.19Å; F1163-Y1317 AromaticContact CE2-CD2 3.57Å; F1163-Y1317 HydrophobicContact CE2-CD2 3.57Å; F1163-Y1317 HydrophobicContact CE2-CE2 4.43Å; F1163-Y1317 AromaticContact CE2-CG 3.76Å; F1163-Y1317 HydrophobicContact CE2-CG 3.76Å; F1163-Y1317 AromaticContact CZ-CD2 3.49Å; F1163-Y1317 HydrophobicContact CZ-CD2 3.49Å; F1163-Y1317 VanDerWaalsContact CZ-CD2 3.49Å; F1163-Y1317 HydrophobicContact CZ-CE2 4.41Å; F1163-Y1317 HydrophobicContact CZ-CG 4.03Å
1164H85.8Confident86.2Confident8 Ų844.9 Ų44.94%0.03720%0.202CC..Hα-helixtrans-93.9-32.3-177.3-174.578.1000113.3S1160 H1167 Y1325S1160-H1164 VanDerWaalsContact O-CB 3.28Å; S1160-H1164 WeakPolarHBondContact O-CB 3.19Å; S1160-H1164 PolarHBondContact O-N 3.12Å; H1164-H1167 PolarHBondContact O-CE1 3.42Å; H1164-H1167 PolarHBondContact O-ND1 3.18Å; H1164-Y1325 AromaticContact CE1-CE1 3.39Å; H1164-Y1325 WeakPolarHBondContact CE1-CE1 3.48Å; H1164-Y1325 AromaticContact CE1-CZ 3.83Å; H1164-Y1325 AromaticContact ND1-CE1 3.73Å; H1164-Y1325 AromaticContact ND1-CZ 3.66Å; H1164-Y1325 PolarHBondContact ND1-OH 3.46Å; H1164-Y1325 PolarHBondContact O-OH 3.4Å
1165Y86.7Confident86.7Confident88 Ų8837.3 Ų37.335%0.34517%0.173SC..Hα-helixtrans-107.1-15.8-178.2-60.6-54.6000115F1161 H1167 W1168 I1169F1161-Y1165 HydrophobicContact CD2-CD2 4.41Å; F1161-Y1165 WeakPolarHBondContact O-CB 3.22Å; F1161-Y1165 PolarHBondContact O-N 3.28Å; F1161-Y1165 VanDerWaalsContact O-N 3.17Å; Y1165-H1167 PolarHBondContact O-N 3.3Å; Y1165-H1167 VanDerWaalsContact O-N 3.1Å; Y1165-W1168 PolarHBondContact O-N 3.42Å; Y1165-I1169 PolarHBondContact O-N 3.04Å
1166G86.6Confident86.8Confident9 Ų938.7 Ų38.79%0.09319%0.186CC..Hα-helixtrans-55.9-30.2-177.900000115.1F1161 V1162 W1168 I1169 T1170 Q1309F1161-G1166 PolarHBondContact O-N 3.35Å; V1162-G1166 WeakPolarHBondContact O-CA 3.38Å; V1162-G1166 PolarHBondContact O-N 3.15Å; G1166-W1168 VanDerWaalsContact C-N 3.29Å; G1166-W1168 PolarHBondContact O-N 3.06Å; G1166-I1169 PolarHBondContact O-N 3.46Å; G1166-T1170 WeakPolarHBondContact O-CG2 3.39Å; G1166-T1170 PolarHBondContact O-N 3.35Å; G1166-T1170 PolarHBondContact O-OG1 3.21Å; G1166-T1170 VanDerWaalsContact O-OG1 3.12Å; G1166-Q1309 PolarHBondContact O-OE1 3.42Å
1167H87Confident86.8Confident3 Ų339.2 Ų39.21%0.01419%0.19CC..Hα-helixtrans-68.7-25177.778.2-98.1000113.6H1164 Y1165 T1170 L1171 Y1204 Y1325H1164-H1167 PolarHBondContact O-CE1 3.42Å; H1164-H1167 PolarHBondContact O-ND1 3.18Å; Y1165-H1167 PolarHBondContact O-N 3.3Å; Y1165-H1167 VanDerWaalsContact O-N 3.1Å; H1167-T1170 WeakPolarHBondContact CA-OG1 3.39Å; H1167-T1170 PolarHBondContact O-OG1 2.7Å; H1167-L1171 WeakPolarHBondContact O-CG 3.38Å; H1167-L1171 PolarHBondContact O-N 2.66Å; H1167-Y1204 AromaticContact CD2-CE2 3.51Å; H1167-Y1204 AromaticContact CD2-CZ 3.85Å; H1167-Y1204 PolarHBondContact CD2-OH 3.46Å; H1167-Y1204 AromaticContact CE1-CE2 3.95Å; H1167-Y1204 AromaticContact CG-CE2 3.86Å; H1167-Y1204 AromaticContact CG-CZ 3.95Å; H1167-Y1204 AromaticContact NE2-CE2 3.55Å; H1167-Y1325 PolarHBondContact CE1-OH 3.15Å; H1167-Y1325 VanDerWaalsContact CE1-OH 3.29Å
1168W87.8Confident87Confident46 Ų4633.9 Ų33.917%0.17417%0.17CC..Hα-helixtrans-73.6-47.7169.4-67.298.9000109.6Y1165 G1166 T1170 L1171 M1172 L1197 N1201Y1165-W1168 PolarHBondContact O-N 3.42Å; G1166-W1168 VanDerWaalsContact C-N 3.29Å; G1166-W1168 PolarHBondContact O-N 3.06Å; W1168-T1170 PolarHBondContact O-N 3.18Å; W1168-L1171 CarbonylContact O-C 3.22Å; W1168-L1171 WeakPolarHBondContact O-CA 3.37Å; W1168-L1171 WeakPolarHBondContact O-CB 3.35Å; W1168-L1171 PolarHBondContact O-N 3.04Å; W1168-M1172 WeakPolarHBondContact O-CE 3.4Å; W1168-M1172 VanDerWaalsContact O-CG 3.31Å; W1168-M1172 WeakPolarHBondContact O-CG 3.45Å; W1168-M1172 PolarHBondContact O-N 3.31Å; W1168-L1197 HydrophobicContact CE3-CD1 3.91Å; W1168-L1197 HydrophobicContact CZ3-CD1 3.61Å; W1168-L1197 HydrophobicContact CZ3-CG 4.44Å; W1168-N1201 WeakPolarHBondContact CZ2-OD1 3.44Å
1169I87.5Confident87Confident63 Ų6329.6 Ų29.632%0.32315%0.152SC..Hα-helixtrans-54.8-40.9-179.2-58.4175.9000111.5F1161 Y1165 G1166 M1172 S1173 F1305F1161-I1169 HydrophobicContact CE1-CD1 4.15Å; F1161-I1169 HydrophobicContact CE2-CD1 4.46Å; F1161-I1169 HydrophobicContact CZ-CD1 3.78Å; Y1165-I1169 PolarHBondContact O-N 3.04Å; G1166-I1169 PolarHBondContact O-N 3.46Å; I1169-M1172 WeakPolarHBondContact O-CB 3.46Å; I1169-M1172 PolarHBondContact O-N 3.19Å; I1169-M1172 VanDerWaalsContact O-N 3.17Å; I1169-S1173 PolarHBondContact O-N 3.23Å; I1169-F1305 HydrophobicContact CG2-CE1 4.08Å
1170T90.1Very high86.6Confident4 Ų431.1 Ų31.13%0.02517%0.167CC..Hα-helixtrans-71.2-31.2177.751.50000113.7G1166 H1167 W1168 T1174 W1220 F1305 Q1309G1166-T1170 WeakPolarHBondContact O-CG2 3.39Å; G1166-T1170 PolarHBondContact O-N 3.35Å; G1166-T1170 PolarHBondContact O-OG1 3.21Å; G1166-T1170 VanDerWaalsContact O-OG1 3.12Å; H1167-T1170 WeakPolarHBondContact CA-OG1 3.39Å; H1167-T1170 PolarHBondContact O-OG1 2.7Å; W1168-T1170 PolarHBondContact O-N 3.18Å; T1170-T1174 PolarHBondContact O-N 3.34Å; T1170-T1174 VanDerWaalsContact O-N 3.13Å; T1170-T1174 PolarHBondContact O-OG1 2.88Å; T1170-W1220 WeakPolarHBondContact OG1-CH2 3.27Å; T1170-F1305 HydrophobicContact CG2-CB 3.75Å; T1170-F1305 HydrophobicContact CG2-CD1 3.96Å; T1170-F1305 HydrophobicContact CG2-CG 4.25Å; T1170-Q1309 HydrophobicContact CG2-CB 3.72Å; T1170-Q1309 HydrophobicContact CG2-CG 4.08Å
1171L88.9Confident86.1Confident7 Ų731.1 Ų31.14%0.03717%0.169CC..Hα-helixtrans-69-33.8166.3-68.8175.6000112.2H1167 W1168 T1174 L1175 T1193 M1196 L1197 W1220H1167-L1171 WeakPolarHBondContact O-CG 3.38Å; H1167-L1171 PolarHBondContact O-N 2.66Å; W1168-L1171 CarbonylContact O-C 3.22Å; W1168-L1171 WeakPolarHBondContact O-CA 3.37Å; W1168-L1171 WeakPolarHBondContact O-CB 3.35Å; W1168-L1171 PolarHBondContact O-N 3.04Å; L1171-T1174 WeakPolarHBondContact CA-OG1 3.45Å; L1171-T1174 PolarHBondContact O-OG1 2.8Å; L1171-L1175 WeakPolarHBondContact O-CB 3.39Å; L1171-L1175 PolarHBondContact O-N 2.91Å; L1171-T1193 HydrophobicContact CD2-CG2 4.45Å; L1171-M1196 HydrophobicContact CD1-CB 4.27Å; L1171-M1196 HydrophobicContact CD2-CB 3.74Å; L1171-M1196 HydrophobicContact CD2-CG 4.43Å; L1171-L1197 HydrophobicContact CD1-CD1 4.45Å; L1171-W1220 HydrophobicContact CD2-CH2 3.92Å; L1171-W1220 HydrophobicContact CD2-CZ2 4.37Å; L1171-W1220 HydrophobicContact CG-CH2 3.98Å; L1171-W1220 HydrophobicContact CG-CZ2 4.41Å
1172M85.6Confident85.7Confident58 Ų5826.9 Ų26.929%0.28615%0.152SC..Hα-helixtrans-65.3-44.2173.7-46.2-60.681.700110.4W1168 I1169 T1174 L1175 A1176 L1197 F1714W1168-M1172 WeakPolarHBondContact O-CE 3.4Å; W1168-M1172 VanDerWaalsContact O-CG 3.31Å; W1168-M1172 WeakPolarHBondContact O-CG 3.45Å; W1168-M1172 PolarHBondContact O-N 3.31Å; I1169-M1172 WeakPolarHBondContact O-CB 3.46Å; I1169-M1172 PolarHBondContact O-N 3.19Å; I1169-M1172 VanDerWaalsContact O-N 3.17Å; M1172-T1174 VanDerWaalsContact C-N 3.35Å; M1172-T1174 PolarHBondContact O-N 3.4Å; M1172-L1175 PolarHBondContact O-N 2.79Å; M1172-A1176 WeakPolarHBondContact O-CB 3.4Å; M1172-A1176 PolarHBondContact O-N 3.37Å; M1172-L1197 HydrophobicContact CE-CD1 4.08Å; M1172-F1714 HydrophobicContact CE-CD1 3.84Å; M1172-F1714 HydrophobicContact CE-CE1 3.24Å; M1172-F1714 HydrophobicContact CE-CE2 4.32Å; M1172-F1714 HydrophobicContact CE-CZ 3.5Å; M1172-F1714 HydrophobicContact SD-CD1 3.8Å; M1172-F1714 HydrophobicContact SD-CD2 3.88Å; M1172-F1714 HydrophobicContact SD-CE1 3.53Å; M1172-F1714 VanDerWaalsContact SD-CE1 3.53Å; M1172-F1714 HydrophobicContact SD-CE2 3.57Å; M1172-F1714 VanDerWaalsContact SD-CE2 3.57Å; M1172-F1714 HydrophobicContact SD-CG 3.98Å; M1172-F1714 HydrophobicContact SD-CZ 3.38Å; M1172-F1714 WeakPolarHBondContact SD-CZ 3.42Å
1173S88.5Confident85.5Confident19 Ų1925.1 Ų25.113%0.13314%0.141CC..Hα-helixtrans-65.8-34.6-179.6-1730000113.2I1169 A1177 F1305I1169-S1173 PolarHBondContact O-N 3.23Å; S1173-A1177 PolarHBondContact O-N 3.46Å; S1173-F1305 VanDerWaalsContact OG-CD2 3.29Å; S1173-F1305 WeakPolarHBondContact OG-CD2 3.34Å
1174T89.5Confident85.4Confident1 Ų127 Ų271%0.00615%0.152CC..Hα-helixtrans-78.6-32.9176.439.40000111.9T1170 L1171 M1172 A1177 G1178 T1193 L1223 A1302 L1306T1170-T1174 PolarHBondContact O-N 3.34Å; T1170-T1174 VanDerWaalsContact O-N 3.13Å; T1170-T1174 PolarHBondContact O-OG1 2.88Å; L1171-T1174 WeakPolarHBondContact CA-OG1 3.45Å; L1171-T1174 PolarHBondContact O-OG1 2.8Å; M1172-T1174 VanDerWaalsContact C-N 3.35Å; M1172-T1174 PolarHBondContact O-N 3.4Å; T1174-A1177 PolarHBondContact O-N 2.92Å; T1174-G1178 PolarHBondContact O-N 3.34Å; T1174-T1193 VanDerWaalsContact OG1-CG2 3.23Å; T1174-T1193 WeakPolarHBondContact OG1-CG2 3.43Å; T1174-L1223 HydrophobicContact CG2-CD2 4.27Å; T1174-A1302 HydrophobicContact CG2-CB 3.99Å; T1174-L1306 HydrophobicContact CG2-CD1 4.08Å; T1174-L1306 HydrophobicContact CG2-CD2 4.38Å; T1174-L1306 HydrophobicContact CG2-CG 4.29Å
1175L89Confident85.5Confident9 Ų927.3 Ų27.35%0.04715%0.154CC..Hα-helixtrans-66.6-41.2170.2-172.274.3000110.3L1171 M1172 A1177 G1178 I1179 I1190 T1193 I1710 F1714L1171-L1175 WeakPolarHBondContact O-CB 3.39Å; L1171-L1175 PolarHBondContact O-N 2.91Å; M1172-L1175 PolarHBondContact O-N 2.79Å; L1175-A1177 VanDerWaalsContact C-N 3.32Å; L1175-A1177 PolarHBondContact O-N 2.94Å; L1175-G1178 CarbonylContact O-C 3.6Å; L1175-G1178 VanDerWaalsContact O-CA 3.31Å; L1175-G1178 WeakPolarHBondContact O-CA 3.07Å; L1175-G1178 PolarHBondContact O-N 3.35Å; L1175-I1179 HydrophobicContact CD2-CD1 3.96Å; L1175-I1179 HydrophobicContact CG-CD1 3.68Å; L1175-I1179 HydrophobicContact CG-CG1 4.26Å; L1175-I1179 WeakPolarHBondContact O-CD1 3.45Å; L1175-I1179 VanDerWaalsContact O-CG1 3.29Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.04Å; L1175-I1179 PolarHBondContact O-N 2.79Å; L1175-I1190 HydrophobicContact CD1-CB 4.46Å; L1175-I1190 HydrophobicContact CD1-CG1 4.17Å; L1175-I1190 HydrophobicContact CD1-CG2 4.45Å; L1175-T1193 HydrophobicContact CB-CG2 4.44Å; L1175-T1193 WeakPolarHBondContact CD1-OG1 3.46Å; L1175-I1710 HydrophobicContact CD2-CG2 4.06Å; L1175-F1714 HydrophobicContact CD2-CE1 4.09Å; L1175-F1714 HydrophobicContact CD2-CE2 4.14Å; L1175-F1714 HydrophobicContact CD2-CZ 3.4Å; L1175-F1714 VanDerWaalsContact CD2-CZ 3.4Å
1176A84.9Confident85.5Confident42 Ų4223.3 Ų23.335%0.34714%0.139SC..Hα-helixtrans-57.2-42.2176.700000112.5M1172 G1178 I1179 A1180M1172-A1176 WeakPolarHBondContact O-CB 3.4Å; M1172-A1176 PolarHBondContact O-N 3.37Å; A1176-G1178 PolarHBondContact O-N 2.83Å; A1176-I1179 PolarHBondContact O-N 3.22Å; A1176-I1179 VanDerWaalsContact O-N 3.1Å; A1176-A1180 WeakPolarHBondContact O-CB 3.41Å; A1176-A1180 PolarHBondContact O-N 2.83Å
1177A85Confident85.6Confident10 Ų1024.7 Ų24.78%0.08314%0.144CC..Hα-helixtrans-62.8-29.4172.400000113.2S1173 T1174 L1175 Y1189 F1298 A1302S1173-A1177 PolarHBondContact O-N 3.46Å; T1174-A1177 PolarHBondContact O-N 2.92Å; L1175-A1177 VanDerWaalsContact C-N 3.32Å; L1175-A1177 PolarHBondContact O-N 2.94Å; A1177-Y1189 HydrophobicContact CB-CD2 4.19Å; A1177-Y1189 HydrophobicContact CB-CE2 4.12Å; A1177-F1298 HydrophobicContact CB-CB 4.12Å; A1177-A1302 HydrophobicContact CB-CB 4.33Å
1178G84.4Confident85.7Confident0 Ų025.2 Ų25.20%015%0.151CC..Hα-helixtrans-80-14.6171.900000115.6T1174 L1175 A1176 A1186 I1190T1174-G1178 PolarHBondContact O-N 3.34Å; L1175-G1178 CarbonylContact O-C 3.6Å; L1175-G1178 VanDerWaalsContact O-CA 3.31Å; L1175-G1178 WeakPolarHBondContact O-CA 3.07Å; L1175-G1178 PolarHBondContact O-N 3.35Å; A1176-G1178 PolarHBondContact O-N 2.83Å; G1178-A1186 WeakPolarHBondContact CA-O 3.38Å; G1178-I1190 WeakPolarHBondContact O-CD1 3.5Å
1179I84.4Confident85.8Confident49 Ų4923.2 Ų23.225%0.25114%0.143SC..Hα-helixtrans-96.8-27.8177.9-61.5151.5000111.4L1175 A1176 G1181 I1710L1175-I1179 HydrophobicContact CD2-CD1 3.96Å; L1175-I1179 HydrophobicContact CG-CD1 3.68Å; L1175-I1179 HydrophobicContact CG-CG1 4.26Å; L1175-I1179 WeakPolarHBondContact O-CD1 3.45Å; L1175-I1179 VanDerWaalsContact O-CG1 3.29Å; L1175-I1179 WeakPolarHBondContact O-CG1 3.04Å; L1175-I1179 PolarHBondContact O-N 2.79Å; A1176-I1179 PolarHBondContact O-N 3.22Å; A1176-I1179 VanDerWaalsContact O-N 3.1Å; I1179-G1181 PolarHBondContact O-N 3.35Å; I1179-I1710 HydrophobicContact CD1-CD1 3.32Å; I1179-I1710 HydrophobicContact CD1-CG1 4.11Å; I1179-I1710 HydrophobicContact CD1-CG2 4.37Å; I1179-I1710 HydrophobicContact CG1-CD1 3.78Å; I1179-I1710 HydrophobicContact CG2-CD1 4.01Å
1180A79.3Confident85.9Confident41 Ų4120.4 Ų20.434%0.33913%0.128SC..SBendtrans-69.31.3-172.900000115.6A1176 F1298A1176-A1180 WeakPolarHBondContact O-CB 3.41Å; A1176-A1180 PolarHBondContact O-N 2.83Å; A1180-F1298 HydrophobicContact CB-CD1 4.33Å; A1180-F1298 HydrophobicContact CB-CD2 3.52Å; A1180-F1298 HydrophobicContact CB-CE1 4.42Å; A1180-F1298 HydrophobicContact CB-CE2 3.63Å; A1180-F1298 HydrophobicContact CB-CG 3.9Å; A1180-F1298 HydrophobicContact CB-CZ 4.09Å
1181G74.6Confident85.8Confident12 Ų1224.7 Ų24.712%0.12415%0.15CC..  trans-170163.3175.200000111.5I1179 A1186I1179-G1181 PolarHBondContact O-N 3.35Å; G1181-A1186 WeakPolarHBondContact O-CB 3.31Å
1182T77.5Confident85.8Confident25 Ų2528.2 Ų28.215%0.15317%0.166CC..  trans-99.99-172.268.50000114.3E1293 Q1671 F1672T1182-E1293 WeakPolarHBondContact CA-OE1 3.33Å; T1182-E1293 WeakPolarHBondContact CB-OE1 3.3Å; T1182-E1293 PolarHBondContact N-OE1 3.39Å; T1182-E1293 PolarHBondContact OG1-OE1 3.42Å; T1182-Q1671 HydrophobicContact CG2-CB 3.68Å; T1182-Q1671 HydrophobicContact CG2-CG 4.36Å; T1182-F1672 WeakPolarHBondContact O-CE1 3.35Å; T1182-F1672 VanDerWaalsContact O-CZ 3.26Å; T1182-F1672 WeakPolarHBondContact O-CZ 3.38Å
1183S84.1Confident86Confident4 Ų425.7 Ų25.73%0.02815%0.153CC..SBendtrans-66.9161.3178.970.50000114.9F1185 A1186 L1187S1183-F1185 PolarHBondContact O-N 2.72Å; S1183-A1186 WeakPolarHBondContact O-CB 3.39Å; S1183-A1186 PolarHBondContact O-N 3.4Å; S1183-A1186 PolarHBondContact OG-N 3.05Å; S1183-L1187 PolarHBondContact O-N 3.28Å; S1183-L1187 VanDerWaalsContact O-N 3.16Å
1184L86.2Confident85.9Confident68 Ų6826 Ų2636%0.35615%0.153SC..Hα-helixtrans-55.3-35.1171.3-171.871.6000112.5A1186 L1187 G1188 L1264 F1265L1184-A1186 VanDerWaalsContact C-N 3.29Å; L1184-A1186 PolarHBondContact O-N 3.36Å; L1184-L1187 HydrophobicContact CD1-CD2 4.4Å; L1184-L1187 PolarHBondContact O-N 3.29Å; L1184-G1188 PolarHBondContact O-N 3.09Å; L1184-L1264 HydrophobicContact CB-CD2 4.16Å; L1184-L1264 HydrophobicContact CB-CG 4.21Å; L1184-L1264 WeakPolarHBondContact CB-O 2.99Å; L1184-L1264 HydrophobicContact CD1-CD2 4.39Å; L1184-L1264 HydrophobicContact CD2-CD2 3.96Å; L1184-L1264 HydrophobicContact CG-CD2 4.4Å; L1184-L1264 PolarHBondContact N-O 2.98Å; L1184-F1265 HydrophobicContact CD2-CE1 3.8Å; L1184-F1265 HydrophobicContact CD2-CZ 4.04Å
1185F88.6Confident85.8Confident15 Ų1529.3 Ų29.37%0.06617%0.174CC..Hα-helixtrans-63.1-36.9176.6-59.1-62000111.9S1183 G1188 Y1189 Y1226 T1230 M1233 L1237 F1265S1183-F1185 PolarHBondContact O-N 2.72Å; F1185-G1188 PolarHBondContact O-N 3.44Å; F1185-Y1189 WeakPolarHBondContact O-CD2 3.32Å; F1185-Y1189 PolarHBondContact O-N 3.02Å; F1185-Y1226 WeakPolarHBondContact CA-OH 3.09Å; F1185-Y1226 PolarHBondContact O-OH 3.26Å; F1185-T1230 HydrophobicContact CB-CG2 4Å; F1185-T1230 HydrophobicContact CD1-CG2 3.93Å; F1185-T1230 HydrophobicContact CG-CG2 4.26Å; F1185-M1233 HydrophobicContact CE1-CB 4.27Å; F1185-M1233 HydrophobicContact CZ-CB 4.12Å; F1185-L1237 HydrophobicContact CE2-CD1 4Å; F1185-L1237 HydrophobicContact CZ-CD1 4.03Å; F1185-F1265 HydrophobicContact CE2-CD1 4.04Å; F1185-F1265 AromaticContact CZ-CD1 3.87Å; F1185-F1265 HydrophobicContact CZ-CD1 3.87Å; F1185-F1265 HydrophobicContact CZ-CE1 4.43Å
1186A86.9Confident85.7Confident5 Ų529.4 Ų29.44%0.04117%0.174CC..Hα-helixtrans-71.1-39.5177.300000112G1178 G1181 S1183 L1184 G1188 Y1189 I1190 F1668G1178-A1186 WeakPolarHBondContact CA-O 3.38Å; G1181-A1186 WeakPolarHBondContact O-CB 3.31Å; S1183-A1186 WeakPolarHBondContact O-CB 3.39Å; S1183-A1186 PolarHBondContact O-N 3.4Å; S1183-A1186 PolarHBondContact OG-N 3.05Å; L1184-A1186 VanDerWaalsContact C-N 3.29Å; L1184-A1186 PolarHBondContact O-N 3.36Å; A1186-G1188 VanDerWaalsContact C-N 3.3Å; A1186-G1188 PolarHBondContact O-N 3.07Å; A1186-Y1189 WeakPolarHBondContact O-CB 3.41Å; A1186-Y1189 PolarHBondContact O-N 3.12Å; A1186-Y1189 VanDerWaalsContact O-N 3.14Å; A1186-I1190 PolarHBondContact O-N 3.06Å; A1186-I1190 VanDerWaalsContact O-N 3.15Å; A1186-F1668 HydrophobicContact CB-CE2 4.32Å; A1186-F1668 HydrophobicContact CB-CZ 4.2Å
1187L87.9Confident85.8Confident38 Ų3827.7 Ų27.720%0.19916%0.159CC..Hα-helixtrans-57.4-41.2173.1-178.562.8000112.2S1183 L1184 Y1189 I1190 I1191 F1668S1183-L1187 PolarHBondContact O-N 3.28Å; S1183-L1187 VanDerWaalsContact O-N 3.16Å; L1184-L1187 HydrophobicContact CD1-CD2 4.4Å; L1184-L1187 PolarHBondContact O-N 3.29Å; L1187-Y1189 VanDerWaalsContact C-N 3.33Å; L1187-Y1189 PolarHBondContact O-N 2.94Å; L1187-I1190 PolarHBondContact O-N 3.14Å; L1187-I1191 HydrophobicContact CD1-CD1 4.28Å; L1187-I1191 HydrophobicContact CD1-CG1 4.47Å; L1187-I1191 HydrophobicContact CG-CD1 3.97Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.49Å; L1187-I1191 PolarHBondContact O-N 3.31Å; L1187-F1668 HydrophobicContact CB-CE1 3.85Å; L1187-F1668 HydrophobicContact CB-CZ 4.07Å; L1187-F1668 HydrophobicContact CD1-CD1 4.14Å; L1187-F1668 HydrophobicContact CD1-CE1 4.06Å; L1187-F1668 HydrophobicContact CG-CE1 4.44Å
1188G88.8Confident85.7Confident14 Ų1432.4 Ų32.414%0.14418%0.175CC..Hα-helixtrans-61.5-38.5176.600000113.3L1184 F1185 A1186 I1191 F1192 Y1226L1184-G1188 PolarHBondContact O-N 3.09Å; F1185-G1188 PolarHBondContact O-N 3.44Å; A1186-G1188 VanDerWaalsContact C-N 3.3Å; A1186-G1188 PolarHBondContact O-N 3.07Å; G1188-I1191 PolarHBondContact O-N 3.05Å; G1188-F1192 VanDerWaalsContact O-CD2 3.22Å; G1188-F1192 WeakPolarHBondContact O-CD2 3.21Å; G1188-F1192 PolarHBondContact O-N 3.31Å; G1188-Y1226 WeakPolarHBondContact CA-OH 3.38Å
1189Y90.8Very high85.6Confident3 Ų333.8 Ų33.81%0.01218%0.184CC..Hα-helixtrans-62.1-44172.1-77.3-57.2000112.3A1177 F1185 A1186 L1187 I1191 F1192 T1193 L1223 Y1226 T1227 T1230 D1299A1177-Y1189 HydrophobicContact CB-CD2 4.19Å; A1177-Y1189 HydrophobicContact CB-CE2 4.12Å; F1185-Y1189 WeakPolarHBondContact O-CD2 3.32Å; F1185-Y1189 PolarHBondContact O-N 3.02Å; A1186-Y1189 WeakPolarHBondContact O-CB 3.41Å; A1186-Y1189 PolarHBondContact O-N 3.12Å; A1186-Y1189 VanDerWaalsContact O-N 3.14Å; L1187-Y1189 VanDerWaalsContact C-N 3.33Å; L1187-Y1189 PolarHBondContact O-N 2.94Å; Y1189-I1191 PolarHBondContact O-N 3.27Å; Y1189-F1192 PolarHBondContact O-N 3.49Å; Y1189-T1193 WeakPolarHBondContact O-CB 3.45Å; Y1189-T1193 WeakPolarHBondContact O-CG2 3.24Å; Y1189-T1193 PolarHBondContact O-N 3.49Å; Y1189-T1193 PolarHBondContact O-OG1 2.9Å; Y1189-L1223 HydrophobicContact CD1-CD1 4.36Å; Y1189-Y1226 AromaticContact CD1-CD1 3.9Å; Y1189-Y1226 HydrophobicContact CD1-CD1 3.9Å; Y1189-Y1226 AromaticContact CD1-CE1 3.86Å; Y1189-Y1226 HydrophobicContact CD1-CE1 3.86Å; Y1189-Y1226 HydrophobicContact CD2-CE1 4.18Å; Y1189-Y1226 AromaticContact CE1-CD1 3.72Å; Y1189-Y1226 HydrophobicContact CE1-CD1 3.72Å; Y1189-Y1226 AromaticContact CE1-CE1 3.93Å; Y1189-Y1226 HydrophobicContact CE1-CE1 3.93Å; Y1189-Y1226 HydrophobicContact CE2-CE1 4.25Å; Y1189-Y1226 HydrophobicContact CG-CD1 4.49Å; Y1189-Y1226 AromaticContact CG-CE1 3.99Å; Y1189-Y1226 HydrophobicContact CG-CE1 3.99Å; Y1189-T1227 VanDerWaalsContact CE1-OG1 3.31Å; Y1189-T1227 WeakPolarHBondContact CE1-OG1 3.26Å; Y1189-T1227 WeakPolarHBondContact OH-CA 3.39Å; Y1189-T1227 WeakPolarHBondContact OH-CB 3.26Å; Y1189-T1227 PolarHBondContact OH-OG1 3.39Å; Y1189-T1230 HydrophobicContact CE2-CG2 4.44Å; Y1189-T1230 PolarHBondContact OH-OG1 2.95Å; Y1189-D1299 VanDerWaalsContact CE2-OD1 3.23Å; Y1189-D1299 WeakPolarHBondContact CE2-OD1 3.33Å; Y1189-D1299 PolarHBondContact OH-OD1 2.96Å
1190I88.5Confident85.2Confident4 Ų431.9 Ų31.92%0.02118%0.177CC..Hα-helixtrans-58.8-47.6176.1-64.6173.3000110.2L1175 G1178 A1186 L1187 T1193 L1194 F1668L1175-I1190 HydrophobicContact CD1-CB 4.46Å; L1175-I1190 HydrophobicContact CD1-CG1 4.17Å; L1175-I1190 HydrophobicContact CD1-CG2 4.45Å; G1178-I1190 WeakPolarHBondContact O-CD1 3.5Å; A1186-I1190 PolarHBondContact O-N 3.06Å; A1186-I1190 VanDerWaalsContact O-N 3.15Å; L1187-I1190 PolarHBondContact O-N 3.14Å; I1190-T1193 PolarHBondContact O-N 3.24Å; I1190-T1193 PolarHBondContact O-OG1 3.32Å; I1190-L1194 HydrophobicContact CG2-CD1 3.66Å; I1190-L1194 HydrophobicContact CG2-CG 4.13Å; I1190-L1194 WeakPolarHBondContact O-CB 3.28Å; I1190-L1194 VanDerWaalsContact O-CG 3.3Å; I1190-L1194 WeakPolarHBondContact O-CG 3.44Å; I1190-L1194 PolarHBondContact O-N 3.13Å; I1190-F1668 HydrophobicContact CD1-CD2 3.47Å; I1190-F1668 VanDerWaalsContact CD1-CD2 3.47Å; I1190-F1668 HydrophobicContact CD1-CE2 3.64Å; I1190-F1668 HydrophobicContact CD1-CG 4.13Å; I1190-F1668 HydrophobicContact CD1-CZ 4.42Å
1191I88.6Confident85.2Confident95 Ų9530.9 Ų30.949%0.48717%0.166SC..Hα-helixtrans-63.1-47.7-179-67.3168.7000111.7L1187 G1188 Y1189 T1193 T1195L1187-I1191 HydrophobicContact CD1-CD1 4.28Å; L1187-I1191 HydrophobicContact CD1-CG1 4.47Å; L1187-I1191 HydrophobicContact CG-CD1 3.97Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.49Å; L1187-I1191 PolarHBondContact O-N 3.31Å; G1188-I1191 PolarHBondContact O-N 3.05Å; Y1189-I1191 PolarHBondContact O-N 3.27Å; I1191-T1193 PolarHBondContact O-N 3.5Å; I1191-T1195 WeakPolarHBondContact O-CB 3.29Å; I1191-T1195 PolarHBondContact O-N 2.72Å; I1191-T1195 VanDerWaalsContact O-N 3.1Å; I1191-T1195 PolarHBondContact O-OG1 3.13Å
1192F89.6Confident85.3Confident81 Ų8134.7 Ų34.736%0.35518%0.183SC..Hα-helixtrans-62.9-43.3178-81.8-60.9000112.1G1188 Y1189 T1195 M1196 L1223 Y1226G1188-F1192 VanDerWaalsContact O-CD2 3.22Å; G1188-F1192 WeakPolarHBondContact O-CD2 3.21Å; G1188-F1192 PolarHBondContact O-N 3.31Å; Y1189-F1192 PolarHBondContact O-N 3.49Å; F1192-T1195 PolarHBondContact O-N 3.26Å; F1192-M1196 VanDerWaalsContact O-CG 3.23Å; F1192-M1196 WeakPolarHBondContact O-CG 3.42Å; F1192-M1196 PolarHBondContact O-N 2.76Å; F1192-M1196 VanDerWaalsContact O-N 3.09Å; F1192-L1223 HydrophobicContact CB-CD1 4.11Å; F1192-L1223 HydrophobicContact CG-CD1 4.48Å; F1192-Y1226 HydrophobicContact CD2-CD1 4.3Å; F1192-Y1226 HydrophobicContact CD2-CD2 4.47Å; F1192-Y1226 HydrophobicContact CD2-CG 4.21Å; F1192-Y1226 HydrophobicContact CE2-CD1 4.4Å; F1192-Y1226 AromaticContact CE2-CD2 3.8Å; F1192-Y1226 HydrophobicContact CE2-CD2 3.8Å; F1192-Y1226 HydrophobicContact CE2-CE2 4.26Å; F1192-Y1226 AromaticContact CE2-CG 3.88Å; F1192-Y1226 HydrophobicContact CE2-CG 3.88Å
1193T88.7Confident85.4Confident4 Ų434.1 Ų34.13%0.02518%0.179CC..Hα-helixtrans-71.5-44.5-177.452.50000112.4L1171 T1174 L1175 Y1189 I1190 I1191 T1195 M1196 L1197L1171-T1193 HydrophobicContact CD2-CG2 4.45Å; T1174-T1193 VanDerWaalsContact OG1-CG2 3.23Å; T1174-T1193 WeakPolarHBondContact OG1-CG2 3.43Å; L1175-T1193 HydrophobicContact CB-CG2 4.44Å; L1175-T1193 WeakPolarHBondContact CD1-OG1 3.46Å; Y1189-T1193 WeakPolarHBondContact O-CB 3.45Å; Y1189-T1193 WeakPolarHBondContact O-CG2 3.24Å; Y1189-T1193 PolarHBondContact O-N 3.49Å; Y1189-T1193 PolarHBondContact O-OG1 2.9Å; I1190-T1193 PolarHBondContact O-N 3.24Å; I1190-T1193 PolarHBondContact O-OG1 3.32Å; I1191-T1193 PolarHBondContact O-N 3.5Å; T1193-T1195 VanDerWaalsContact C-N 3.31Å; T1193-T1195 PolarHBondContact O-N 2.83Å; T1193-M1196 PolarHBondContact O-N 3.39Å; T1193-L1197 VanDerWaalsContact O-CB 3.24Å; T1193-L1197 WeakPolarHBondContact O-CB 3.41Å; T1193-L1197 PolarHBondContact O-N 3.4Å
1194L87.6Confident85.2Confident25 Ų2534.2 Ų34.213%0.13118%0.179CC..Hα-helixtrans-58.6-41.5173.3-69.8179.1000111.8I1190 M1196 L1197 W1198 E1661 L1713I1190-L1194 HydrophobicContact CG2-CD1 3.66Å; I1190-L1194 HydrophobicContact CG2-CG 4.13Å; I1190-L1194 WeakPolarHBondContact O-CB 3.28Å; I1190-L1194 VanDerWaalsContact O-CG 3.3Å; I1190-L1194 WeakPolarHBondContact O-CG 3.44Å; I1190-L1194 PolarHBondContact O-N 3.13Å; L1194-M1196 VanDerWaalsContact C-N 3.33Å; L1194-M1196 PolarHBondContact O-N 2.87Å; L1194-L1197 PolarHBondContact O-N 2.91Å; L1194-W1198 WeakPolarHBondContact O-CB 3.26Å; L1194-W1198 PolarHBondContact O-N 3.03Å; L1194-E1661 HydrophobicContact CD2-CG 4.33Å; L1194-L1713 HydrophobicContact CD2-CD2 3.82Å
1195T86.1Confident84.5Confident72 Ų7231.8 Ų31.844%0.44217%0.167SC..Hα-helixtrans-61.6-39.9176.8-58.10000112.4I1191 F1192 T1193 S1199I1191-T1195 WeakPolarHBondContact O-CB 3.29Å; I1191-T1195 PolarHBondContact O-N 2.72Å; I1191-T1195 VanDerWaalsContact O-N 3.1Å; I1191-T1195 PolarHBondContact O-OG1 3.13Å; F1192-T1195 PolarHBondContact O-N 3.26Å; T1193-T1195 VanDerWaalsContact C-N 3.31Å; T1193-T1195 PolarHBondContact O-N 2.83Å; T1195-S1199 PolarHBondContact O-N 2.84Å; T1195-S1199 PolarHBondContact O-OG 2.9Å
1196M87.7Confident83.5Confident10 Ų1031.7 Ų31.75%0.04917%0.167CC..Hα-helixtrans-74.1-38.7176.5-67.1-76.8-9500111.8L1171 F1192 T1193 L1194 S1199 G1200 L1203 R1219 W1220L1171-M1196 HydrophobicContact CD1-CB 4.27Å; L1171-M1196 HydrophobicContact CD2-CB 3.74Å; L1171-M1196 HydrophobicContact CD2-CG 4.43Å; F1192-M1196 VanDerWaalsContact O-CG 3.23Å; F1192-M1196 WeakPolarHBondContact O-CG 3.42Å; F1192-M1196 PolarHBondContact O-N 2.76Å; F1192-M1196 VanDerWaalsContact O-N 3.09Å; T1193-M1196 PolarHBondContact O-N 3.39Å; L1194-M1196 VanDerWaalsContact C-N 3.33Å; L1194-M1196 PolarHBondContact O-N 2.87Å; M1196-S1199 WeakPolarHBondContact O-CB 3.32Å; M1196-S1199 PolarHBondContact O-N 3.04Å; M1196-G1200 PolarHBondContact O-N 3.15Å; M1196-L1203 HydrophobicContact CE-CD2 3.71Å; M1196-L1203 HydrophobicContact SD-CD2 3.68Å; M1196-R1219 HydrophobicContact CE-CB 4.07Å; M1196-R1219 HydrophobicContact SD-CB 4.08Å; M1196-W1220 HydrophobicContact CE-CD2 3.91Å; M1196-W1220 HydrophobicContact CE-CG 4.05Å; M1196-W1220 HydrophobicContact CE-CZ2 4.14Å
1197L85.7Confident82.5Confident6 Ų635 Ų353%0.03118%0.184CC..Hα-helixtrans-65-44178.1-159.276.1000111.5W1168 L1171 M1172 T1193 L1194 S1199 G1200 L1713 F1714 F1717W1168-L1197 HydrophobicContact CE3-CD1 3.91Å; W1168-L1197 HydrophobicContact CZ3-CD1 3.61Å; W1168-L1197 HydrophobicContact CZ3-CG 4.44Å; L1171-L1197 HydrophobicContact CD1-CD1 4.45Å; M1172-L1197 HydrophobicContact CE-CD1 4.08Å; T1193-L1197 VanDerWaalsContact O-CB 3.24Å; T1193-L1197 WeakPolarHBondContact O-CB 3.41Å; T1193-L1197 PolarHBondContact O-N 3.4Å; L1194-L1197 PolarHBondContact O-N 2.91Å; L1197-S1199 VanDerWaalsContact C-N 3.28Å; L1197-S1199 PolarHBondContact O-N 2.87Å; L1197-G1200 PolarHBondContact O-N 3.35Å; L1197-L1713 HydrophobicContact CD2-CD2 4.36Å; L1197-F1714 HydrophobicContact CD1-CE1 4.26Å; L1197-F1714 HydrophobicContact CD2-CD1 4.3Å; L1197-F1714 HydrophobicContact CD2-CE1 3.99Å; L1197-F1717 HydrophobicContact CB-CE1 4.46Å; L1197-F1717 HydrophobicContact CB-CZ 4.43Å; L1197-F1717 HydrophobicContact CD2-CD1 4.34Å; L1197-F1717 HydrophobicContact CD2-CD2 3.53Å; L1197-F1717 HydrophobicContact CD2-CE1 4.38Å; L1197-F1717 HydrophobicContact CD2-CE2 3.59Å; L1197-F1717 HydrophobicContact CD2-CG 3.93Å; L1197-F1717 HydrophobicContact CD2-CZ 4.02Å; L1197-F1717 HydrophobicContact CG-CD1 3.94Å; L1197-F1717 HydrophobicContact CG-CD2 4.06Å; L1197-F1717 HydrophobicContact CG-CE1 3.99Å; L1197-F1717 HydrophobicContact CG-CE2 4.11Å; L1197-F1717 HydrophobicContact CG-CG 3.98Å; L1197-F1717 HydrophobicContact CG-CZ 4.06Å; L1197-F1717 WeakPolarHBondContact O-CE1 3.15Å
1198W84.9Confident81.1Confident110 Ų11035 Ų3542%0.41719%0.187SC..Hα-helixtrans-59-39.9173.6-173.3-97.3000112L1194 I1657 F1717 R1720L1194-W1198 WeakPolarHBondContact O-CB 3.26Å; L1194-W1198 PolarHBondContact O-N 3.03Å; W1198-I1657 HydrophobicContact CE3-CG2 4.47Å; W1198-I1657 HydrophobicContact CZ3-CG2 3.95Å; W1198-F1717 HydrophobicContact CE3-CZ 4.23Å; W1198-R1720 PolarHBondContact O-NH2 2.87Å
1199S80.8Confident79.8Confident28 Ų2839 Ų3920%0.19621%0.209CC..Hα-helixtrans-64.9-49.1174.2-56.30000111.4T1195 M1196 L1197 N1202T1195-S1199 PolarHBondContact O-N 2.84Å; T1195-S1199 PolarHBondContact O-OG 2.9Å; M1196-S1199 WeakPolarHBondContact O-CB 3.32Å; M1196-S1199 PolarHBondContact O-N 3.04Å; L1197-S1199 VanDerWaalsContact C-N 3.28Å; L1197-S1199 PolarHBondContact O-N 2.87Å; S1199-N1202 WeakPolarHBondContact O-CB 3.18Å; S1199-N1202 PolarHBondContact O-N 3.47Å
1200G76.8Confident78.1Confident9 Ų943.4 Ų43.49%0.09323%0.232CC..G310 helixtrans56.1-146.7178.400000113.2M1196 L1197 N1202 L1203M1196-G1200 PolarHBondContact O-N 3.15Å; L1197-G1200 PolarHBondContact O-N 3.35Å; G1200-N1202 PolarHBondContact O-N 3.42Å; G1200-L1203 WeakPolarHBondContact O-CB 3.42Å; G1200-L1203 PolarHBondContact O-N 3.39Å
1201N78.9Confident76.6Confident21 Ų2153.4 Ų53.411%0.11227%0.27CS..G310 helixtrans-52.9-26-178.6-63.614.1000114.1W1168 L1203 Y1204 V1205 Y1325 Y1721W1168-N1201 WeakPolarHBondContact CZ2-OD1 3.44Å; N1201-L1203 PolarHBondContact O-N 3.36Å; N1201-L1203 VanDerWaalsContact O-N 3.11Å; N1201-Y1204 PolarHBondContact O-N 2.83Å; N1201-V1205 PolarHBondContact O-N 2.84Å; N1201-Y1325 HydrophobicContact CB-CD1 4.2Å; N1201-Y1721 WeakPolarHBondContact ND2-CE2 3.41Å
1202N77.8Confident75.2Confident91 Ų9149.9 Ų49.949%0.48725%0.253SS..G310 helixtrans-60.5-21.3177.2-63.15.8000112.5S1199 G1200 Y1204 V1205S1199-N1202 WeakPolarHBondContact O-CB 3.18Å; S1199-N1202 PolarHBondContact O-N 3.47Å; G1200-N1202 PolarHBondContact O-N 3.42Å; N1202-Y1204 VanDerWaalsContact C-N 3.26Å; N1202-Y1204 PolarHBondContact O-N 3.35Å; N1202-V1205 PolarHBondContact O-N 3.12Å
1203L77.6Confident74.6Confident14 Ų1446.2 Ų46.27%0.07324%0.237CC..G310 helixtrans-66.9-24.4175-172.166.5000113.2M1196 G1200 N1201 T1216M1196-L1203 HydrophobicContact CE-CD2 3.71Å; M1196-L1203 HydrophobicContact SD-CD2 3.68Å; G1200-L1203 WeakPolarHBondContact O-CB 3.42Å; G1200-L1203 PolarHBondContact O-N 3.39Å; N1201-L1203 PolarHBondContact O-N 3.36Å; N1201-L1203 VanDerWaalsContact O-N 3.11Å; L1203-T1216 HydrophobicContact CD1-CG2 4.19Å; L1203-T1216 WeakPolarHBondContact CD1-OG1 3.03Å; L1203-T1216 HydrophobicContact CD2-CG2 4.1Å; L1203-T1216 HydrophobicContact CG-CG2 3.71Å; L1203-T1216 PolarHBondContact O-OG1 2.82Å
1204Y80.1Confident73.9Confident5 Ų550 Ų502%0.0225%0.254CS..THydrogen-bonded Turntrans-101-15.4179.2-50.8-64.2000112.9H1167 N1201 N1202 M1206 T1216 W1220 F1313 F1318 Y1325H1167-Y1204 AromaticContact CD2-CE2 3.51Å; H1167-Y1204 AromaticContact CD2-CZ 3.85Å; H1167-Y1204 PolarHBondContact CD2-OH 3.46Å; H1167-Y1204 AromaticContact CE1-CE2 3.95Å; H1167-Y1204 AromaticContact CG-CE2 3.86Å; H1167-Y1204 AromaticContact CG-CZ 3.95Å; H1167-Y1204 AromaticContact NE2-CE2 3.55Å; N1201-Y1204 PolarHBondContact O-N 2.83Å; N1202-Y1204 VanDerWaalsContact C-N 3.26Å; N1202-Y1204 PolarHBondContact O-N 3.35Å; Y1204-M1206 PolarHBondContact O-N 2.96Å; Y1204-T1216 HydrophobicContact CD1-CG2 4.22Å; Y1204-T1216 HydrophobicContact CE1-CG2 4.07Å; Y1204-W1220 WeakPolarHBondContact OH-CZ2 3.23Å; Y1204-F1313 HydrophobicContact CD1-CE1 4.47Å; Y1204-F1313 AromaticContact CE1-CE1 3.74Å; Y1204-F1313 HydrophobicContact CE1-CE1 3.74Å; Y1204-F1313 AromaticContact CE1-CZ 3.86Å; Y1204-F1313 HydrophobicContact CE1-CZ 3.86Å; Y1204-F1318 HydrophobicContact CD1-CE1 4.43Å; Y1204-F1318 AromaticContact CD1-CZ 3.79Å; Y1204-F1318 HydrophobicContact CD1-CZ 3.79Å; Y1204-F1318 HydrophobicContact CE1-CZ 4.2Å; Y1204-F1318 HydrophobicContact CG-CZ 4.22Å; Y1204-Y1325 HydrophobicContact CD2-CD2 4.28Å; Y1204-Y1325 HydrophobicContact CD2-CE2 4.02Å; Y1204-Y1325 HydrophobicContact CG-CD2 4.31Å; Y1204-Y1325 HydrophobicContact CG-CE2 4.25Å
1205V72.3Confident73.3Confident18 Ų1852.7 Ų52.711%0.10927%0.266CS..SBendtrans-75.494.1172.6-179.90000108.6N1201 N1202 N1207 R1326 V1329 L1557N1201-V1205 PolarHBondContact O-N 2.84Å; N1202-V1205 PolarHBondContact O-N 3.12Å; V1205-N1207 PolarHBondContact O-N 3.27Å; V1205-R1326 HydrophobicContact CG1-CG 4.45Å; V1205-V1329 HydrophobicContact CG2-CG2 4.08Å; V1205-L1557 HydrophobicContact CG1-CD1 4.33Å; V1205-L1557 HydrophobicContact CG1-CD2 3.78Å
1206M68.7Low73.1Confident12 Ų1249.3 Ų49.36%0.05925%0.246CC..  trans-55.598.6172.1-71.3169.7145.800110.7F1136 I1138 Y1204 F1213 M1322 R1326 T1553F1136-M1206 HydrophobicContact CB-CE 4.23Å; I1138-M1206 HydrophobicContact CD1-SD 3.72Å; I1138-M1206 HydrophobicContact CG1-CE 4.47Å; I1138-M1206 HydrophobicContact CG1-SD 4.07Å; Y1204-M1206 PolarHBondContact O-N 2.96Å; M1206-F1213 HydrophobicContact CE-CB 3.41Å; M1206-F1213 VanDerWaalsContact CE-CB 3.41Å; M1206-F1213 HydrophobicContact CE-CG 4.17Å; M1206-F1213 HydrophobicContact CG-CB 4.16Å; M1206-M1322 HydrophobicContact CE-CE 3.98Å; M1206-M1322 HydrophobicContact CG-CE 3.85Å; M1206-M1322 HydrophobicContact SD-CE 3.69Å; M1206-R1326 PolarHBondContact O-NH1 2.87Å; M1206-T1553 HydrophobicContact CB-CG2 3.79Å; M1206-T1553 HydrophobicContact CG-CG2 4.34Å; M1206-T1553 HydrophobicContact SD-CG2 3.81Å
1207N64.1Low72.9Confident76 Ų7649.8 Ų49.841%0.40625%0.248SC..  trans-73.2153.9168-1613.7000109.4V1205V1205-N1207 PolarHBondContact O-N 3.27Å
1208S59.1Low72.8Confident38 Ų3855.2 Ų55.227%0.26627%0.272SS..THydrogen-bonded Turntrans-81.8-21-174.365.60000114.2S1554 K1556S1208-S1554 WeakPolarHBondContact CB-O 3.28Å; S1208-K1556 WeakPolarHBondContact OG-CG 3.33Å
1209T60.6Low72.9Confident97 Ų9754 Ų5460%0.59527%0.267SS*.THydrogen-bonded Turntrans-78.8-17.5-177.7500000114.6
1210L55.8Low73.3Confident95 Ų9552.7 Ų52.750%0.49726%0.258SS..THydrogen-bonded Turntrans-128.1133167.6-6193.4000106.9S1212L1210-S1212 WeakPolarHBondContact O-CA 3.37Å; L1210-S1212 WeakPolarHBondContact O-CB 3.31Å; L1210-S1212 PolarHBondContact O-N 3.47Å
1211R56.2Low73.9Confident215 Ų21555.4 Ų55.481%0.81127%0.27SS*.THydrogen-bonded Turntrans-69.569.7173.7-74-175.6173.9-177.2-1.7110.6F1213 E1214R1211-F1213 PolarHBondContact O-N 3.25Å; R1211-E1214 PolarHBondContact O-N 2.97Å
1212S61.2Low74.5Confident21 Ų2156.8 Ų56.815%0.14728%0.284CS..Hα-helixtrans-76.5-18.2-144.4-166.50000115.2L1210 H1215 T1216L1210-S1212 WeakPolarHBondContact O-CA 3.37Å; L1210-S1212 WeakPolarHBondContact O-CB 3.31Å; L1210-S1212 PolarHBondContact O-N 3.47Å; S1212-H1215 WeakPolarHBondContact O-CB 3.25Å; S1212-H1215 PolarHBondContact O-N 3.19Å; S1212-T1216 PolarHBondContact O-N 2.97Å; S1212-T1216 PolarHBondContact O-OG1 2.74Å
1213F75Confident75.1Confident4 Ų452.5 Ų52.52%0.01826%0.261CS..Hα-helixtrans-71.1-32.5-179.7-170.5-97.5000112.5Y1131 F1136 M1206 R1211 H1215 T1216 L1217 F1313 F1318 M1322Y1131-F1213 HydrophobicContact CE2-CE1 4.17Å; F1136-F1213 HydrophobicContact CB-CD1 4.18Å; F1136-F1213 AromaticContact CD1-CD1 3.41Å; F1136-F1213 HydrophobicContact CD1-CD1 3.41Å; F1136-F1213 VanDerWaalsContact CD1-CD1 3.41Å; F1136-F1213 AromaticContact CD1-CE1 3.66Å; F1136-F1213 HydrophobicContact CD1-CE1 3.66Å; F1136-F1213 HydrophobicContact CD2-CD1 4.43Å; F1136-F1213 AromaticContact CE1-CD1 3.81Å; F1136-F1213 HydrophobicContact CE1-CD1 3.81Å; F1136-F1213 AromaticContact CE1-CE1 3.77Å; F1136-F1213 HydrophobicContact CE1-CE1 3.77Å; F1136-F1213 AromaticContact CG-CD1 3.76Å; F1136-F1213 HydrophobicContact CG-CD1 3.76Å; F1136-F1213 HydrophobicContact CG-CE1 4.46Å; F1136-F1213 HydrophobicContact CZ-CD1 4.49Å; M1206-F1213 HydrophobicContact CE-CB 3.41Å; M1206-F1213 VanDerWaalsContact CE-CB 3.41Å; M1206-F1213 HydrophobicContact CE-CG 4.17Å; M1206-F1213 HydrophobicContact CG-CB 4.16Å; R1211-F1213 PolarHBondContact O-N 3.25Å; F1213-H1215 VanDerWaalsContact C-N 3.31Å; F1213-H1215 PolarHBondContact O-N 2.94Å; F1213-T1216 PolarHBondContact O-N 3.2Å; F1213-L1217 HydrophobicContact CE1-CD1 4.48Å; F1213-L1217 WeakPolarHBondContact O-CB 3.48Å; F1213-L1217 PolarHBondContact O-N 2.98Å; F1213-F1313 HydrophobicContact CZ-CB 4.24Å; F1213-F1318 AromaticContact CE2-CE1 3.94Å; F1213-F1318 HydrophobicContact CE2-CE1 3.94Å; F1213-F1318 HydrophobicContact CZ-CE1 4.5Å; F1213-M1322 HydrophobicContact CD2-CE 3.68Å; F1213-M1322 HydrophobicContact CD2-SD 4.14Å; F1213-M1322 HydrophobicContact CE2-CE 4.2Å; F1213-M1322 HydrophobicContact CE2-SD 4.04Å; F1213-M1322 HydrophobicContact CG-CE 4.28Å
1214E74.3Confident75.8Confident82 Ų8252.2 Ų52.238%0.38326%0.26SS..Hα-helixtrans-63.6-39.7170.6-169-161.7147.900110.9F1136 R1211 L1217 K1218F1136-E1214 HydrophobicContact CD2-CB 4.08Å; F1136-E1214 HydrophobicContact CE2-CB 3.98Å; F1136-E1214 HydrophobicContact CE2-CG 4.06Å; R1211-E1214 PolarHBondContact O-N 2.97Å; E1214-L1217 PolarHBondContact O-N 2.78Å; E1214-K1218 HydrophobicContact CG-CD 4.36Å; E1214-K1218 VanDerWaalsContact O-CB 3.32Å; E1214-K1218 WeakPolarHBondContact O-CB 3.37Å; E1214-K1218 VanDerWaalsContact O-CG 3.3Å; E1214-K1218 WeakPolarHBondContact O-CG 3.19Å; E1214-K1218 PolarHBondContact O-N 2.89Å; E1214-K1218 VanDerWaalsContact OE1-CE 3.22Å; E1214-K1218 WeakPolarHBondContact OE1-CE 3.26Å; E1214-K1218 IonicContact OE1-NZ 3.08Å; E1214-K1218 PolarHBondContact OE1-NZ 3.31Å
1215H76.8Confident76.3Confident83 Ų8353.2 Ų53.238%0.38427%0.272SS..Hα-helixtrans-67.5-36.9175.3-177-119.4000112.2S1212 F1213 K1218 R1219S1212-H1215 WeakPolarHBondContact O-CB 3.25Å; S1212-H1215 PolarHBondContact O-N 3.19Å; F1213-H1215 VanDerWaalsContact C-N 3.31Å; F1213-H1215 PolarHBondContact O-N 2.94Å; H1215-K1218 PolarHBondContact O-N 3.23Å; H1215-R1219 PolarHBondContact CE1-NE 2.97Å; H1215-R1219 WeakPolarHBondContact O-CG 3.37Å; H1215-R1219 PolarHBondContact O-N 2.96Å
1216T81Confident77.3Confident1 Ų154.2 Ų54.21%0.00627%0.274CS..Hα-helixtrans-65.1-45.9171.9-66.40000111.5L1203 Y1204 S1212 F1213 K1218 R1219 W1220L1203-T1216 HydrophobicContact CD1-CG2 4.19Å; L1203-T1216 WeakPolarHBondContact CD1-OG1 3.03Å; L1203-T1216 HydrophobicContact CD2-CG2 4.1Å; L1203-T1216 HydrophobicContact CG-CG2 3.71Å; L1203-T1216 PolarHBondContact O-OG1 2.82Å; Y1204-T1216 HydrophobicContact CD1-CG2 4.22Å; Y1204-T1216 HydrophobicContact CE1-CG2 4.07Å; S1212-T1216 PolarHBondContact O-N 2.97Å; S1212-T1216 PolarHBondContact O-OG1 2.74Å; F1213-T1216 PolarHBondContact O-N 3.2Å; T1216-K1218 VanDerWaalsContact C-N 3.33Å; T1216-K1218 PolarHBondContact O-N 3.15Å; T1216-R1219 WeakPolarHBondContact O-CB 3.09Å; T1216-R1219 PolarHBondContact O-N 2.91Å; T1216-W1220 VanDerWaalsContact O-CD1 3.28Å; T1216-W1220 PolarHBondContact O-N 2.95Å
1217L82.4Confident78.5Confident19 Ų1953.7 Ų53.710%0.09927%0.271CS..Hα-helixtrans-63.3-39.6175-157.784.9000111.1F1136 F1213 E1214 R1219 W1220 N1221 F1313F1136-L1217 HydrophobicContact CE1-CD2 4.48Å; F1136-L1217 HydrophobicContact CZ-CD2 3.96Å; F1213-L1217 HydrophobicContact CE1-CD1 4.48Å; F1213-L1217 WeakPolarHBondContact O-CB 3.48Å; F1213-L1217 PolarHBondContact O-N 2.98Å; E1214-L1217 PolarHBondContact O-N 2.78Å; L1217-R1219 VanDerWaalsContact C-N 3.34Å; L1217-R1219 PolarHBondContact O-N 3.23Å; L1217-W1220 PolarHBondContact O-N 3.36Å; L1217-N1221 VanDerWaalsContact O-CB 3.31Å; L1217-N1221 WeakPolarHBondContact O-CB 3.39Å; L1217-N1221 PolarHBondContact O-N 3.26Å; L1217-N1221 PolarHBondContact O-OD1 3.44Å; L1217-F1313 HydrophobicContact CD1-CB 4.45Å
1218K84.5Confident79.9Confident121 Ų12150.3 Ų50.353%0.52625%0.253SS..Hα-helixtrans-60.6-38.1172.5-80.7170.3166.7171.50112.5E1214 H1215 T1216 A1222E1214-K1218 HydrophobicContact CG-CD 4.36Å; E1214-K1218 VanDerWaalsContact O-CB 3.32Å; E1214-K1218 WeakPolarHBondContact O-CB 3.37Å; E1214-K1218 VanDerWaalsContact O-CG 3.3Å; E1214-K1218 WeakPolarHBondContact O-CG 3.19Å; E1214-K1218 PolarHBondContact O-N 2.89Å; E1214-K1218 VanDerWaalsContact OE1-CE 3.22Å; E1214-K1218 WeakPolarHBondContact OE1-CE 3.26Å; E1214-K1218 IonicContact OE1-NZ 3.08Å; E1214-K1218 PolarHBondContact OE1-NZ 3.31Å; H1215-K1218 PolarHBondContact O-N 3.23Å; T1216-K1218 VanDerWaalsContact C-N 3.33Å; T1216-K1218 PolarHBondContact O-N 3.15Å; K1218-A1222 VanDerWaalsContact O-CB 3.27Å; K1218-A1222 WeakPolarHBondContact O-CB 3.43Å; K1218-A1222 PolarHBondContact O-N 3.12Å
1219R86.7Confident81.5Confident85 Ų8553.6 Ų53.632%0.32126%0.263SS..Hα-helixtrans-66.5-43.2173.1-75.5175.7171.8-157.4-5.3112.7M1196 H1215 T1216 L1217 A1222 L1223M1196-R1219 HydrophobicContact CE-CB 4.07Å; M1196-R1219 HydrophobicContact SD-CB 4.08Å; H1215-R1219 PolarHBondContact CE1-NE 2.97Å; H1215-R1219 WeakPolarHBondContact O-CG 3.37Å; H1215-R1219 PolarHBondContact O-N 2.96Å; T1216-R1219 WeakPolarHBondContact O-CB 3.09Å; T1216-R1219 PolarHBondContact O-N 2.91Å; L1217-R1219 VanDerWaalsContact C-N 3.34Å; L1217-R1219 PolarHBondContact O-N 3.23Å; R1219-A1222 PolarHBondContact O-N 3.2Å; R1219-L1223 PolarHBondContact O-N 2.59Å
1220W89.9Confident82.9Confident0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-67.8-36.7175.3-77.9101.9000112.6T1170 L1171 M1196 Y1204 T1216 L1217 L1223 L1224 L1306 Q1309 F1313T1170-W1220 WeakPolarHBondContact OG1-CH2 3.27Å; L1171-W1220 HydrophobicContact CD2-CH2 3.92Å; L1171-W1220 HydrophobicContact CD2-CZ2 4.37Å; L1171-W1220 HydrophobicContact CG-CH2 3.98Å; L1171-W1220 HydrophobicContact CG-CZ2 4.41Å; M1196-W1220 HydrophobicContact CE-CD2 3.91Å; M1196-W1220 HydrophobicContact CE-CG 4.05Å; M1196-W1220 HydrophobicContact CE-CZ2 4.14Å; Y1204-W1220 WeakPolarHBondContact OH-CZ2 3.23Å; T1216-W1220 VanDerWaalsContact O-CD1 3.28Å; T1216-W1220 PolarHBondContact O-N 2.95Å; L1217-W1220 PolarHBondContact O-N 3.36Å; W1220-L1223 HydrophobicContact CE3-CD2 4.24Å; W1220-L1223 HydrophobicContact CZ3-CD2 4.25Å; W1220-L1223 PolarHBondContact O-N 3.17Å; W1220-L1224 PolarHBondContact O-N 3.18Å; W1220-L1306 HydrophobicContact CE3-CD2 3.66Å; W1220-L1306 HydrophobicContact CZ3-CD2 3.69Å; W1220-Q1309 HydrophobicContact CH2-CG 4.32Å; W1220-Q1309 HydrophobicContact CZ3-CG 4.28Å; W1220-F1313 HydrophobicContact CB-CE2 4.47Å; W1220-F1313 AromaticContact CD1-CE2 3.59Å; W1220-F1313 AromaticContact CD2-CE2 3.78Å; W1220-F1313 HydrophobicContact CD2-CE2 3.78Å; W1220-F1313 HydrophobicContact CD2-CZ 4.28Å; W1220-F1313 AromaticContact CE2-CE2 3.72Å; W1220-F1313 AromaticContact CE2-CZ 3.73Å; W1220-F1313 AromaticContact CG-CE2 3.72Å; W1220-F1313 HydrophobicContact CG-CE2 3.72Å; W1220-F1313 HydrophobicContact CG-CZ 4.46Å; W1220-F1313 HydrophobicContact CZ2-CE2 4.39Å; W1220-F1313 HydrophobicContact CZ2-CZ 4.09Å; W1220-F1313 AromaticContact NE1-CE2 3.59Å; W1220-F1313 AromaticContact NE1-CZ 3.56Å
1221N89.5Confident84.6Confident66 Ų6644.6 Ų44.635%0.35321%0.211SC..Hα-helixtrans-71.9-30.2174.4-69.30.5000112.3L1217 G1225L1217-N1221 VanDerWaalsContact O-CB 3.31Å; L1217-N1221 WeakPolarHBondContact O-CB 3.39Å; L1217-N1221 PolarHBondContact O-N 3.26Å; L1217-N1221 PolarHBondContact O-OD1 3.44Å; N1221-G1225 PolarHBondContact O-N 3Å
1222A90.1Very high86.3Confident49 Ų4936 Ų3641%0.40518%0.183SC..Hα-helixtrans-68-38.2170.100000111.6K1218 R1219 G1225 Y1226K1218-A1222 VanDerWaalsContact O-CB 3.27Å; K1218-A1222 WeakPolarHBondContact O-CB 3.43Å; K1218-A1222 PolarHBondContact O-N 3.12Å; R1219-A1222 PolarHBondContact O-N 3.2Å; A1222-G1225 PolarHBondContact O-N 3.18Å; A1222-Y1226 WeakPolarHBondContact O-CB 3.35Å; A1222-Y1226 PolarHBondContact O-N 2.91Å
1223L91.3Very high87.7Confident2 Ų238 Ų381%0.0119%0.191CC..Hα-helixtrans-67.4-41.2173.2-177.456.5000112.1T1174 Y1189 F1192 R1219 W1220 Y1226 T1227 L1306T1174-L1223 HydrophobicContact CG2-CD2 4.27Å; Y1189-L1223 HydrophobicContact CD1-CD1 4.36Å; F1192-L1223 HydrophobicContact CB-CD1 4.11Å; F1192-L1223 HydrophobicContact CG-CD1 4.48Å; R1219-L1223 PolarHBondContact O-N 2.59Å; W1220-L1223 HydrophobicContact CE3-CD2 4.24Å; W1220-L1223 HydrophobicContact CZ3-CD2 4.25Å; W1220-L1223 PolarHBondContact O-N 3.17Å; L1223-Y1226 WeakPolarHBondContact O-CB 3.44Å; L1223-Y1226 PolarHBondContact O-N 2.64Å; L1223-T1227 PolarHBondContact O-N 3.04Å; L1223-T1227 PolarHBondContact O-OG1 3.2Å; L1223-L1306 HydrophobicContact CD2-CD2 3.94Å; L1223-L1306 HydrophobicContact CG-CD1 4.3Å; L1223-L1306 HydrophobicContact CG-CD2 4.04Å
1224L92Very high88.4Confident7 Ų739 Ų394%0.03720%0.195CC..Hα-helixtrans-60.8-46.6170.5176.166.3000111.6W1220 Y1226 T1227 L1228 L1303 L1306 I1310W1220-L1224 PolarHBondContact O-N 3.18Å; L1224-Y1226 VanDerWaalsContact C-N 3.27Å; L1224-Y1226 PolarHBondContact O-N 3.02Å; L1224-T1227 PolarHBondContact O-N 3.37Å; L1224-L1228 HydrophobicContact CD1-CD1 4.16Å; L1224-L1228 HydrophobicContact CD1-CG 4.33Å; L1224-L1228 HydrophobicContact CG-CD1 3.93Å; L1224-L1228 WeakPolarHBondContact O-CG 3.46Å; L1224-L1228 PolarHBondContact O-N 3.26Å; L1224-L1303 HydrophobicContact CD1-CD1 3.47Å; L1224-L1303 VanDerWaalsContact CD1-CD1 3.47Å; L1224-L1306 HydrophobicContact CD1-CB 4.27Å; L1224-I1310 HydrophobicContact CB-CD1 4.25Å; L1224-I1310 HydrophobicContact CD2-CD1 3.71Å; L1224-I1310 HydrophobicContact CG-CD1 4.48Å
1225G91.8Very high89.2Confident26 Ų2635.3 Ų35.327%0.26818%0.178SC..Hα-helixtrans-60.6-36.617600000112.4N1221 A1222 F1229N1221-G1225 PolarHBondContact O-N 3Å; A1222-G1225 PolarHBondContact O-N 3.18Å; G1225-F1229 VanDerWaalsContact O-CB 3.25Å; G1225-F1229 WeakPolarHBondContact O-CB 3.4Å; G1225-F1229 PolarHBondContact O-N 3.44Å
1226Y93.1Very high89.8Confident40 Ų4033.5 Ų33.516%0.15717%0.174CC..Hα-helixtrans-64.6-48.4173.2-174.3-100000111.8F1185 G1188 Y1189 F1192 A1222 L1223 L1224 L1228 F1229 T1230F1185-Y1226 WeakPolarHBondContact CA-OH 3.09Å; F1185-Y1226 PolarHBondContact O-OH 3.26Å; G1188-Y1226 WeakPolarHBondContact CA-OH 3.38Å; Y1189-Y1226 AromaticContact CD1-CD1 3.9Å; Y1189-Y1226 HydrophobicContact CD1-CD1 3.9Å; Y1189-Y1226 AromaticContact CD1-CE1 3.86Å; Y1189-Y1226 HydrophobicContact CD1-CE1 3.86Å; Y1189-Y1226 HydrophobicContact CD2-CE1 4.18Å; Y1189-Y1226 AromaticContact CE1-CD1 3.72Å; Y1189-Y1226 HydrophobicContact CE1-CD1 3.72Å; Y1189-Y1226 AromaticContact CE1-CE1 3.93Å; Y1189-Y1226 HydrophobicContact CE1-CE1 3.93Å; Y1189-Y1226 HydrophobicContact CE2-CE1 4.25Å; Y1189-Y1226 HydrophobicContact CG-CD1 4.49Å; Y1189-Y1226 AromaticContact CG-CE1 3.99Å; Y1189-Y1226 HydrophobicContact CG-CE1 3.99Å; F1192-Y1226 HydrophobicContact CD2-CD1 4.3Å; F1192-Y1226 HydrophobicContact CD2-CD2 4.47Å; F1192-Y1226 HydrophobicContact CD2-CG 4.21Å; F1192-Y1226 HydrophobicContact CE2-CD1 4.4Å; F1192-Y1226 AromaticContact CE2-CD2 3.8Å; F1192-Y1226 HydrophobicContact CE2-CD2 3.8Å; F1192-Y1226 HydrophobicContact CE2-CE2 4.26Å; F1192-Y1226 AromaticContact CE2-CG 3.88Å; F1192-Y1226 HydrophobicContact CE2-CG 3.88Å; A1222-Y1226 WeakPolarHBondContact O-CB 3.35Å; A1222-Y1226 PolarHBondContact O-N 2.91Å; L1223-Y1226 WeakPolarHBondContact O-CB 3.44Å; L1223-Y1226 PolarHBondContact O-N 2.64Å; L1224-Y1226 VanDerWaalsContact C-N 3.27Å; L1224-Y1226 PolarHBondContact O-N 3.02Å; Y1226-L1228 VanDerWaalsContact C-N 3.35Å; Y1226-L1228 PolarHBondContact O-N 2.89Å; Y1226-F1229 CarbonylContact O-C 3.57Å; Y1226-F1229 WeakPolarHBondContact O-CB 3.29Å; Y1226-F1229 PolarHBondContact O-N 3.33Å; Y1226-F1229 VanDerWaalsContact O-N 3.14Å; Y1226-T1230 HydrophobicContact CD1-CG2 4.09Å; Y1226-T1230 HydrophobicContact CE1-CG2 3.64Å; Y1226-T1230 HydrophobicContact CE2-CG2 4.32Å; Y1226-T1230 WeakPolarHBondContact O-CG2 3.28Å; Y1226-T1230 PolarHBondContact O-N 3.43Å
1227T93Very high90.1Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-61.6-39.7175.2-66.80000112.9Y1189 L1223 L1224 F1229 T1230 I1231 D1299 L1303Y1189-T1227 VanDerWaalsContact CE1-OG1 3.31Å; Y1189-T1227 WeakPolarHBondContact CE1-OG1 3.26Å; Y1189-T1227 WeakPolarHBondContact OH-CA 3.39Å; Y1189-T1227 WeakPolarHBondContact OH-CB 3.26Å; Y1189-T1227 PolarHBondContact OH-OG1 3.39Å; L1223-T1227 PolarHBondContact O-N 3.04Å; L1223-T1227 PolarHBondContact O-OG1 3.2Å; L1224-T1227 PolarHBondContact O-N 3.37Å; T1227-F1229 VanDerWaalsContact C-N 3.31Å; T1227-F1229 PolarHBondContact O-N 2.74Å; T1227-T1230 PolarHBondContact O-N 3.01Å; T1227-T1230 PolarHBondContact O-OG1 3.44Å; T1227-I1231 HydrophobicContact CG2-CD1 3.95Å; T1227-I1231 VanDerWaalsContact O-CG1 3.28Å; T1227-I1231 WeakPolarHBondContact O-CG1 3.44Å; T1227-I1231 PolarHBondContact O-N 3.41Å; T1227-D1299 WeakPolarHBondContact CG2-O 3.33Å; T1227-L1303 HydrophobicContact CG2-CB 3.86Å
1228L93.3Very high90.4Very high6 Ų634.6 Ų34.63%0.03118%0.18CC..Hα-helixtrans-66.3-35.7175.2-70.3168.3000111.7L1024 V1025 A1028 L1029 L1224 Y1226 T1232 L1303L1024-L1228 HydrophobicContact CD2-CD2 4.33Å; L1024-L1228 HydrophobicContact CG-CD2 4.04Å; V1025-L1228 HydrophobicContact CG2-CB 4.17Å; V1025-L1228 HydrophobicContact CG2-CD2 4.48Å; A1028-L1228 HydrophobicContact CB-CD1 3.77Å; A1028-L1228 HydrophobicContact CB-CD2 4.39Å; L1029-L1228 HydrophobicContact CD2-CD1 3.95Å; L1029-L1228 HydrophobicContact CG-CD1 4.13Å; L1224-L1228 HydrophobicContact CD1-CD1 4.16Å; L1224-L1228 HydrophobicContact CD1-CG 4.33Å; L1224-L1228 HydrophobicContact CG-CD1 3.93Å; L1224-L1228 WeakPolarHBondContact O-CG 3.46Å; L1224-L1228 PolarHBondContact O-N 3.26Å; Y1226-L1228 VanDerWaalsContact C-N 3.35Å; Y1226-L1228 PolarHBondContact O-N 2.89Å; L1228-T1232 WeakPolarHBondContact O-CB 3.4Å; L1228-T1232 PolarHBondContact O-N 3.2Å; L1228-T1232 PolarHBondContact O-OG1 3Å; L1228-L1303 HydrophobicContact CD2-CD1 3.92Å; L1228-L1303 HydrophobicContact CD2-CD2 4.44Å; L1228-L1303 HydrophobicContact CG-CD1 4.33Å
1229F92Very high90.3Very high106 Ų10631.4 Ų31.447%0.46517%0.168SC..Hα-helixtrans-68.8-44.3173.7176.6-101000112.3G1225 Y1226 T1227 T1232 M1233G1225-F1229 VanDerWaalsContact O-CB 3.25Å; G1225-F1229 WeakPolarHBondContact O-CB 3.4Å; G1225-F1229 PolarHBondContact O-N 3.44Å; Y1226-F1229 CarbonylContact O-C 3.57Å; Y1226-F1229 WeakPolarHBondContact O-CB 3.29Å; Y1226-F1229 PolarHBondContact O-N 3.33Å; Y1226-F1229 VanDerWaalsContact O-N 3.14Å; T1227-F1229 VanDerWaalsContact C-N 3.31Å; T1227-F1229 PolarHBondContact O-N 2.74Å; F1229-T1232 PolarHBondContact O-N 2.8Å; F1229-M1233 HydrophobicContact CD1-CG 4.17Å; F1229-M1233 HydrophobicContact CD2-CG 3.89Å; F1229-M1233 HydrophobicContact CE1-CG 3.83Å; F1229-M1233 HydrophobicContact CE2-CE 4.2Å; F1229-M1233 HydrophobicContact CE2-CG 3.52Å; F1229-M1233 HydrophobicContact CE2-SD 3.83Å; F1229-M1233 HydrophobicContact CG-CG 4.21Å; F1229-M1233 HydrophobicContact CZ-CG 3.5Å; F1229-M1233 VanDerWaalsContact CZ-CG 3.5Å; F1229-M1233 HydrophobicContact CZ-SD 3.97Å; F1229-M1233 WeakPolarHBondContact O-CB 3.21Å; F1229-M1233 VanDerWaalsContact O-CG 3.25Å; F1229-M1233 WeakPolarHBondContact O-CG 3.32Å; F1229-M1233 PolarHBondContact O-N 3.33Å
1230T90.9Very high90.2Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-63.8-42177.558.50000111.8F1185 Y1189 Y1226 T1227 K1234 D1299F1185-T1230 HydrophobicContact CB-CG2 4Å; F1185-T1230 HydrophobicContact CD1-CG2 3.93Å; F1185-T1230 HydrophobicContact CG-CG2 4.26Å; Y1189-T1230 HydrophobicContact CE2-CG2 4.44Å; Y1189-T1230 PolarHBondContact OH-OG1 2.95Å; Y1226-T1230 HydrophobicContact CD1-CG2 4.09Å; Y1226-T1230 HydrophobicContact CE1-CG2 3.64Å; Y1226-T1230 HydrophobicContact CE2-CG2 4.32Å; Y1226-T1230 WeakPolarHBondContact O-CG2 3.28Å; Y1226-T1230 PolarHBondContact O-N 3.43Å; T1227-T1230 PolarHBondContact O-N 3.01Å; T1227-T1230 PolarHBondContact O-OG1 3.44Å; T1230-K1234 VanDerWaalsContact O-CB 3.31Å; T1230-K1234 WeakPolarHBondContact O-CB 3.4Å; T1230-K1234 WeakPolarHBondContact O-CG 3.43Å; T1230-K1234 PolarHBondContact O-N 3.09Å; T1230-D1299 PolarHBondContact OG1-OD1 3.44Å
1231I91.9Very high89.8Confident3 Ų332.6 Ų32.62%0.01518%0.176CC..Hα-helixtrans-59.1-53.8173.4-68.6167.9000110.1I1009 T1227 M1233 K1234 V1235 I1296 D1299 V1300 L1303I1009-I1231 HydrophobicContact CG2-CG2 4.24Å; T1227-I1231 HydrophobicContact CG2-CD1 3.95Å; T1227-I1231 VanDerWaalsContact O-CG1 3.28Å; T1227-I1231 WeakPolarHBondContact O-CG1 3.44Å; T1227-I1231 PolarHBondContact O-N 3.41Å; I1231-M1233 PolarHBondContact O-N 2.82Å; I1231-K1234 PolarHBondContact O-N 3.37Å; I1231-V1235 WeakPolarHBondContact O-CG2 3.41Å; I1231-V1235 PolarHBondContact O-N 3.45Å; I1231-I1296 HydrophobicContact CG2-CD1 4Å; I1231-D1299 HydrophobicContact CD1-CB 4.01Å; I1231-D1299 HydrophobicContact CG1-CB 3.55Å; I1231-V1300 HydrophobicContact CD1-CG2 4.31Å; I1231-L1303 HydrophobicContact CD1-CB 4.44Å; I1231-L1303 HydrophobicContact CD1-CD2 4.07Å
1232T91.8Very high89.6Confident35 Ų3529.5 Ų29.522%0.21516%0.16CC..Hα-helixtrans-60.6-44.4-177.7-53.80000111.6C1021 L1228 F1229 V1235 C1236C1021-T1232 HydrophobicContact CB-CG2 4.35Å; L1228-T1232 WeakPolarHBondContact O-CB 3.4Å; L1228-T1232 PolarHBondContact O-N 3.2Å; L1228-T1232 PolarHBondContact O-OG1 3Å; F1229-T1232 PolarHBondContact O-N 2.8Å; T1232-V1235 PolarHBondContact O-N 3.29Å; T1232-C1236 PolarHBondContact O-N 3.43Å; T1232-C1236 PolarHBondContact O-SG 3.41Å
1233M90.2Very high89.3Confident64 Ų6427.3 Ų27.332%0.31514%0.141SC..Hα-helixtrans-66.8-43.4178.2-69.9-65.8100.900112.7F1185 F1229 I1231 V1235 C1236 L1237F1185-M1233 HydrophobicContact CE1-CB 4.27Å; F1185-M1233 HydrophobicContact CZ-CB 4.12Å; F1229-M1233 HydrophobicContact CD1-CG 4.17Å; F1229-M1233 HydrophobicContact CD2-CG 3.89Å; F1229-M1233 HydrophobicContact CE1-CG 3.83Å; F1229-M1233 HydrophobicContact CE2-CE 4.2Å; F1229-M1233 HydrophobicContact CE2-CG 3.52Å; F1229-M1233 HydrophobicContact CE2-SD 3.83Å; F1229-M1233 HydrophobicContact CG-CG 4.21Å; F1229-M1233 HydrophobicContact CZ-CG 3.5Å; F1229-M1233 VanDerWaalsContact CZ-CG 3.5Å; F1229-M1233 HydrophobicContact CZ-SD 3.97Å; F1229-M1233 WeakPolarHBondContact O-CB 3.21Å; F1229-M1233 VanDerWaalsContact O-CG 3.25Å; F1229-M1233 WeakPolarHBondContact O-CG 3.32Å; F1229-M1233 PolarHBondContact O-N 3.33Å; I1231-M1233 PolarHBondContact O-N 2.82Å; M1233-V1235 VanDerWaalsContact C-N 3.34Å; M1233-V1235 PolarHBondContact O-N 3.04Å; M1233-C1236 PolarHBondContact O-N 3.19Å; M1233-L1237 WeakPolarHBondContact O-CB 3.32Å; M1233-L1237 VanDerWaalsContact O-CG 3.24Å; M1233-L1237 WeakPolarHBondContact O-CG 3.44Å; M1233-L1237 PolarHBondContact O-N 3.43Å
1234K90.1Very high88.9Confident24 Ų2430.2 Ų30.210%0.10415%0.154CC..Hα-helixtrans-60.8-41.6176.3-81.5-179.4169.7-177.50111.9T1230 I1231 L1237 Q1238 E1293 N1295 I1296 D1299T1230-K1234 VanDerWaalsContact O-CB 3.31Å; T1230-K1234 WeakPolarHBondContact O-CB 3.4Å; T1230-K1234 WeakPolarHBondContact O-CG 3.43Å; T1230-K1234 PolarHBondContact O-N 3.09Å; I1231-K1234 PolarHBondContact O-N 3.37Å; K1234-L1237 PolarHBondContact O-N 2.88Å; K1234-Q1238 PolarHBondContact O-N 2.67Å; K1234-E1293 WeakPolarHBondContact CE-O 3.19Å; K1234-E1293 PolarHBondContact NZ-O 3.34Å; K1234-E1293 VanDerWaalsContact NZ-O 3.16Å; K1234-N1295 PolarHBondContact NZ-O 3.43Å; K1234-I1296 HydrophobicContact CB-CG2 3.62Å; K1234-I1296 HydrophobicContact CD-CG2 3.63Å; K1234-I1296 HydrophobicContact CG-CG2 4.3Å; K1234-D1299 IonicContact NZ-OD2 3.83Å; K1234-D1299 PolarHBondContact NZ-OD2 3.47Å
1235V90.3Very high88.3Confident4 Ų430.9 Ų30.92%0.02416%0.157CC..Hα-helixtrans-64.3-47175.2174.40000110.9I1009 M1013 A1017 A1018 I1231 T1232 M1233 L1237 Q1238 I1296I1009-V1235 HydrophobicContact CG2-CG2 3.84Å; M1013-V1235 HydrophobicContact CE-CG2 4.49Å; M1013-V1235 HydrophobicContact SD-CG2 3.9Å; A1017-V1235 HydrophobicContact CB-CG1 4.32Å; A1018-V1235 HydrophobicContact CB-CG1 4.03Å; I1231-V1235 WeakPolarHBondContact O-CG2 3.41Å; I1231-V1235 PolarHBondContact O-N 3.45Å; T1232-V1235 PolarHBondContact O-N 3.29Å; M1233-V1235 VanDerWaalsContact C-N 3.34Å; M1233-V1235 PolarHBondContact O-N 3.04Å; V1235-L1237 VanDerWaalsContact C-N 3.3Å; V1235-L1237 PolarHBondContact O-N 3.49Å; V1235-Q1238 WeakPolarHBondContact O-CB 3.19Å; V1235-Q1238 PolarHBondContact O-N 3.46Å; V1235-I1296 HydrophobicContact CG2-CD1 4.4Å
1236C89.4Confident87.8Confident45 Ų4532.9 Ų32.930%0.30417%0.167SC..Hα-helixtrans-62.4-35175.4-67.30000113.2T1232 M1233 Q1238 I1239T1232-C1236 PolarHBondContact O-N 3.43Å; T1232-C1236 PolarHBondContact O-SG 3.41Å; M1233-C1236 PolarHBondContact O-N 3.19Å; C1236-Q1238 VanDerWaalsContact C-N 3.27Å; C1236-Q1238 PolarHBondContact O-N 3.4Å; C1236-I1239 PolarHBondContact O-N 3.45Å
1237L88.2Confident87.3Confident39 Ų3938.5 Ų38.520%0.20419%0.188CC..Hα-helixtrans-70.4-17.3177.9-76170.5000113.6F1185 M1233 K1234 V1235 I1239 F1240 G1241 I1267F1185-L1237 HydrophobicContact CE2-CD1 4Å; F1185-L1237 HydrophobicContact CZ-CD1 4.03Å; M1233-L1237 WeakPolarHBondContact O-CB 3.32Å; M1233-L1237 VanDerWaalsContact O-CG 3.24Å; M1233-L1237 WeakPolarHBondContact O-CG 3.44Å; M1233-L1237 PolarHBondContact O-N 3.43Å; K1234-L1237 PolarHBondContact O-N 2.88Å; V1235-L1237 VanDerWaalsContact C-N 3.3Å; V1235-L1237 PolarHBondContact O-N 3.49Å; L1237-I1239 VanDerWaalsContact C-N 3.32Å; L1237-I1239 PolarHBondContact O-N 2.84Å; L1237-F1240 HydrophobicContact CD2-CD2 4.5Å; L1237-F1240 PolarHBondContact O-N 3.46Å; L1237-G1241 PolarHBondContact O-N 3.24Å; L1237-I1267 HydrophobicContact CD2-CD1 4.26Å; L1237-I1267 HydrophobicContact CD2-CG1 4.38Å
1238Q87.9Confident86.7Confident5 Ų539 Ų392%0.02319%0.19CC..Hα-helixtrans-63.2-37.9172.3-72.1-54.6-64.200112.4M1013 K1234 V1235 C1236 F1240 G1241 C1242 T1268M1013-Q1238 HydrophobicContact CE-CG 3.87Å; K1234-Q1238 PolarHBondContact O-N 2.67Å; V1235-Q1238 WeakPolarHBondContact O-CB 3.19Å; V1235-Q1238 PolarHBondContact O-N 3.46Å; C1236-Q1238 VanDerWaalsContact C-N 3.27Å; C1236-Q1238 PolarHBondContact O-N 3.4Å; Q1238-F1240 VanDerWaalsContact C-N 3.27Å; Q1238-F1240 PolarHBondContact O-N 2.99Å; Q1238-G1241 PolarHBondContact O-N 3.41Å; Q1238-C1242 WeakPolarHBondContact O-CB 3.48Å; Q1238-C1242 PolarHBondContact O-N 3.14Å; Q1238-C1242 PolarHBondContact O-SG 3.4Å; Q1238-C1242 VanDerWaalsContact O-SG 3.33Å; Q1238-T1268 PolarHBondContact NE2-O 3.23Å
1239I82.9Confident86Confident54 Ų5442.7 Ų42.728%0.27721%0.21SC..Hα-helixtrans-59.9-42.2176.1-57.3175.7000110C1236 L1237 V1243 F1244C1236-I1239 PolarHBondContact O-N 3.45Å; L1237-I1239 VanDerWaalsContact C-N 3.32Å; L1237-I1239 PolarHBondContact O-N 2.84Å; I1239-V1243 WeakPolarHBondContact O-CB 3.13Å; I1239-V1243 PolarHBondContact O-N 3.04Å; I1239-F1244 HydrophobicContact CG2-CE2 4.35Å
1240F84Confident85.3Confident108 Ų10841.7 Ų41.747%0.47421%0.207SC..Hα-helixtrans-69.2-41.4174.6-69.5-82.1000112.9L1237 Q1238 F1244 L1245L1237-F1240 HydrophobicContact CD2-CD2 4.5Å; L1237-F1240 PolarHBondContact O-N 3.46Å; Q1238-F1240 VanDerWaalsContact C-N 3.27Å; Q1238-F1240 PolarHBondContact O-N 2.99Å; F1240-F1244 HydrophobicContact CD1-CB 4.34Å; F1240-F1244 HydrophobicContact CD1-CD2 4.29Å; F1240-F1244 CarbonylContact O-C 3.56Å; F1240-F1244 WeakPolarHBondContact O-CA 3.44Å; F1240-F1244 PolarHBondContact O-N 3.01Å; F1240-L1245 PolarHBondContact O-N 2.85Å
1241G81.5Confident84.4Confident1 Ų147.4 Ų47.41%0.0125%0.247CC..Hα-helixtrans-73-29.7-17700000115.5L1237 Q1238L1237-G1241 PolarHBondContact O-N 3.24Å; Q1238-G1241 PolarHBondContact O-N 3.41Å
1242C85.7Confident83.7Confident2 Ų249.9 Ų49.91%0.01427%0.273CS..Hα-helixtrans-95.7-24.9-178.9-57.90000114.1N1084 L1088 Q1238 C1269N1084-C1242 PolarHBondContact ND2-O 3.39Å; L1088-C1242 HydrophobicContact CD1-CB 3.69Å; Q1238-C1242 WeakPolarHBondContact O-CB 3.48Å; Q1238-C1242 PolarHBondContact O-N 3.14Å; Q1238-C1242 PolarHBondContact O-SG 3.4Å; Q1238-C1242 VanDerWaalsContact O-SG 3.33Å; C1242-C1269 HydrophobicContact CB-CB 3.87Å; C1242-C1269 WeakPolarHBondContact CB-SG 3.27Å; C1242-C1269 WeakPolarHBondContact SG-CA 3.36Å; C1242-C1269 WeakPolarHBondContact SG-CB 3.48Å; C1242-C1269 CovalentContact SG-SG 2.04Å; C1242-C1269 PolarHBondContact SG-SG 3Å
1243V83Confident83.1Confident2 Ų251 Ų511%0.01229%0.292CS..Hα-helixtrans-114.6-41.7-174.8-174.70000112.4A1081 N1084 L1085 L1088 I1239A1081-V1243 HydrophobicContact CB-CG1 4.49Å; N1084-V1243 HydrophobicContact CB-CG2 4.14Å; L1085-V1243 HydrophobicContact CB-CG1 4.07Å; L1085-V1243 HydrophobicContact CB-CG2 3.9Å; L1085-V1243 HydrophobicContact CD1-CG2 4.3Å; L1085-V1243 HydrophobicContact CD2-CG1 4.42Å; L1088-V1243 HydrophobicContact CD1-CG2 4.13Å; I1239-V1243 WeakPolarHBondContact O-CB 3.13Å; I1239-V1243 PolarHBondContact O-N 3.04Å
1244F83.5Confident82.7Confident63 Ų6357 Ų5728%0.27631%0.311SS..SBendtrans-103.517.9-171.2-62.8-82.5000113.9Y1077 I1239 F1240 S1246 W1247Y1077-F1244 HydrophobicContact CE1-CD1 4.37Å; Y1077-F1244 AromaticContact CE1-CE1 3.7Å; Y1077-F1244 HydrophobicContact CE1-CE1 3.7Å; Y1077-F1244 HydrophobicContact CE1-CZ 4.36Å; Y1077-F1244 AromaticContact CZ-CE1 3.92Å; I1239-F1244 HydrophobicContact CG2-CE2 4.35Å; F1240-F1244 HydrophobicContact CD1-CB 4.34Å; F1240-F1244 HydrophobicContact CD1-CD2 4.29Å; F1240-F1244 CarbonylContact O-C 3.56Å; F1240-F1244 WeakPolarHBondContact O-CA 3.44Å; F1240-F1244 PolarHBondContact O-N 3.01Å; F1244-S1246 PolarHBondContact O-N 2.72Å; F1244-W1247 WeakPolarHBondContact O-CB 3.27Å; F1244-W1247 PolarHBondContact O-N 3.45Å
1245L80.2Confident82.2Confident22 Ų2256.3 Ų56.312%0.11531%0.31CS..G310 helixtrans-59.6-31.2-178.8-163.470.2000112.6F1240 W1247 F1248 L1277F1240-L1245 PolarHBondContact O-N 2.85Å; L1245-W1247 PolarHBondContact O-N 3.26Å; L1245-F1248 PolarHBondContact O-N 3.48Å; L1245-F1248 VanDerWaalsContact O-N 3.13Å; L1245-L1277 HydrophobicContact CB-CD1 3.83Å
1246S80.2Confident81.7Confident67 Ų6763.7 Ų63.747%0.46934%0.342SS..G310 helixtrans-56.8-26.717553.90000114.1F1244 F1248 D1249F1244-S1246 PolarHBondContact O-N 2.72Å; S1246-F1248 PolarHBondContact O-N 2.96Å; S1246-D1249 PolarHBondContact O-N 3.15Å
1247W82.2Confident81.5Confident159 Ų15965 Ų6560%0.60235%0.349SS*.G310 helixtrans-70.6-20.1179.2-172.377000113.5F1244 L1245 L1258F1244-W1247 WeakPolarHBondContact O-CB 3.27Å; F1244-W1247 PolarHBondContact O-N 3.45Å; L1245-W1247 PolarHBondContact O-N 3.26Å; W1247-L1258 HydrophobicContact CE3-CD2 4.25Å; W1247-L1258 HydrophobicContact CH2-CD2 4.03Å; W1247-L1258 HydrophobicContact CZ3-CD2 3.67Å
1248F80.8Confident81.4Confident11 Ų1163.8 Ų63.85%0.04834%0.343CS..G310 helixtrans-85.5-18179.3-66-91.4000113.5L1245 S1246 Q1250 L1258 V1261 R1262 I1267 F1283L1245-F1248 PolarHBondContact O-N 3.48Å; L1245-F1248 VanDerWaalsContact O-N 3.13Å; S1246-F1248 PolarHBondContact O-N 2.96Å; F1248-Q1250 VanDerWaalsContact C-N 3.31Å; F1248-Q1250 PolarHBondContact O-N 3.48Å; F1248-Q1250 VanDerWaalsContact O-N 3.09Å; F1248-L1258 HydrophobicContact CD1-CB 4.2Å; F1248-L1258 HydrophobicContact CD1-CD2 4.2Å; F1248-V1261 HydrophobicContact CE1-CG1 4.31Å; F1248-R1262 HydrophobicContact CD1-CB 4.15Å; F1248-I1267 HydrophobicContact CE1-CD1 4.04Å; F1248-I1267 HydrophobicContact CE2-CG2 4.35Å; F1248-I1267 HydrophobicContact CZ-CD1 3.69Å; F1248-I1267 HydrophobicContact CZ-CG2 4.39Å; F1248-F1283 HydrophobicContact CB-CE1 3.86Å; F1248-F1283 HydrophobicContact CB-CZ 3.73Å; F1248-F1283 WeakPolarHBondContact O-CZ 3.24Å
1249D79.9Confident81.2Confident83 Ų8364.7 Ų64.744%0.44435%0.349SS..  trans-8769.8179.6-167.718.3000111.5S1246 L1280 F1283S1246-D1249 PolarHBondContact O-N 3.15Å; D1249-L1280 HydrophobicContact CB-CD2 3.5Å; D1249-F1283 HydrophobicContact CB-CB 4.22Å; D1249-F1283 HydrophobicContact CB-CD1 3.98Å; D1249-F1283 HydrophobicContact CB-CD2 3.72Å; D1249-F1283 HydrophobicContact CB-CE1 4.26Å; D1249-F1283 HydrophobicContact CB-CE2 4.04Å; D1249-F1283 HydrophobicContact CB-CG 3.7Å; D1249-F1283 HydrophobicContact CB-CZ 4.3Å; D1249-F1283 VanDerWaalsContact CG-CD2 3.5Å; D1249-F1283 WeakPolarHBondContact OD1-CD2 3.48Å
1250Q77.6Confident81.2Confident84 Ų8465.5 Ų65.539%0.39335%0.353SS..  trans-101.7146.7168.5-61.9-1713.300109.8F1248 G1255 L1258F1248-Q1250 VanDerWaalsContact C-N 3.31Å; F1248-Q1250 PolarHBondContact O-N 3.48Å; F1248-Q1250 VanDerWaalsContact O-N 3.09Å; Q1250-G1255 WeakPolarHBondContact O-CA 3.14Å; Q1250-L1258 HydrophobicContact CB-CD1 4.08Å; Q1250-L1258 HydrophobicContact CG-CD1 3.86Å
1251S71.6Confident81.3Confident120 Ų12063.2 Ų63.284%0.83935%0.348SS*.  trans-82.6156.717559.50000112.3
1252G77.2Confident81.5Confident56 Ų5663.5 Ų63.558%0.57735%0.349SS*.Hα-helixtrans83.5-153.6175.100000115.6G1255 K1256G1252-G1255 PolarHBondContact O-N 2.87Å; G1252-K1256 PolarHBondContact O-N 2.84Å
1253G78.5Confident81.4Confident59 Ų5964.2 Ų64.261%0.60835%0.352SS*.Hα-helixtrans-66.7-37.2-172.100000114.2K1256 T1257G1253-K1256 PolarHBondContact O-N 3.49Å; G1253-T1257 PolarHBondContact O-N 3.13Å; G1253-T1257 PolarHBondContact O-OG1 3.23Å
1254W81.5Confident81.5Confident190 Ų19066.4 Ų66.472%0.7236%0.363SS*.Hα-helixtrans-65.2-39.5172.8-84.188.1000111.7K1256 T1257 L1258W1254-K1256 VanDerWaalsContact C-N 3.35Å; W1254-K1256 PolarHBondContact O-N 2.84Å; W1254-T1257 WeakPolarHBondContact CA-OG1 3.21Å; W1254-T1257 PolarHBondContact O-N 2.9Å; W1254-T1257 VanDerWaalsContact O-N 3.1Å; W1254-T1257 PolarHBondContact O-OG1 3.23Å; W1254-L1258 WeakPolarHBondContact O-CB 3.32Å; W1254-L1258 WeakPolarHBondContact O-CG 3.22Å; W1254-L1258 PolarHBondContact O-N 3.07Å
1255G80.7Confident81.7Confident8 Ų866.8 Ų66.88%0.08237%0.365CS..Hα-helixtrans-53.8-46.9170.800000113.9Q1250 G1252 T1257 L1258 C1259Q1250-G1255 WeakPolarHBondContact O-CA 3.14Å; G1252-G1255 PolarHBondContact O-N 2.87Å; G1255-T1257 VanDerWaalsContact C-N 3.33Å; G1255-T1257 PolarHBondContact O-N 3.17Å; G1255-L1258 PolarHBondContact O-N 3.46Å; G1255-C1259 WeakPolarHBondContact O-CB 3.42Å; G1255-C1259 PolarHBondContact O-N 2.74Å
1256K79.3Confident81.8Confident159 Ų15966 Ų6669%0.69136%0.362SS*.Hα-helixtrans-63.5-37.4176.1-68.8-170.7176.8-1740112.4G1252 G1253 W1254 I1260G1252-K1256 PolarHBondContact O-N 2.84Å; G1253-K1256 PolarHBondContact O-N 3.49Å; W1254-K1256 VanDerWaalsContact C-N 3.35Å; W1254-K1256 PolarHBondContact O-N 2.84Å; K1256-I1260 WeakPolarHBondContact O-CD1 3.46Å; K1256-I1260 VanDerWaalsContact O-CG1 3.25Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.49Å; K1256-I1260 PolarHBondContact O-N 3.47Å
1257T84.7Confident82.1Confident74 Ų7463.3 Ų63.345%0.45434%0.342SS..Hα-helixtrans-72.3-39.3176.414.70000112.3G1253 W1254 G1255 I1260 V1261G1253-T1257 PolarHBondContact O-N 3.13Å; G1253-T1257 PolarHBondContact O-OG1 3.23Å; W1254-T1257 WeakPolarHBondContact CA-OG1 3.21Å; W1254-T1257 PolarHBondContact O-N 2.9Å; W1254-T1257 VanDerWaalsContact O-N 3.1Å; W1254-T1257 PolarHBondContact O-OG1 3.23Å; G1255-T1257 VanDerWaalsContact C-N 3.33Å; G1255-T1257 PolarHBondContact O-N 3.17Å; T1257-I1260 PolarHBondContact O-N 3.45Å; T1257-V1261 WeakPolarHBondContact O-CG2 3.35Å; T1257-V1261 PolarHBondContact O-N 3.26Å
1258L85.6Confident82.2Confident13 Ų1356.7 Ų56.77%0.06832%0.319CS..Hα-helixtrans-64.4-39173.8-72.7168.8000112W1247 F1248 Q1250 W1254 G1255 V1261 R1262W1247-L1258 HydrophobicContact CE3-CD2 4.25Å; W1247-L1258 HydrophobicContact CH2-CD2 4.03Å; W1247-L1258 HydrophobicContact CZ3-CD2 3.67Å; F1248-L1258 HydrophobicContact CD1-CB 4.2Å; F1248-L1258 HydrophobicContact CD1-CD2 4.2Å; Q1250-L1258 HydrophobicContact CB-CD1 4.08Å; Q1250-L1258 HydrophobicContact CG-CD1 3.86Å; W1254-L1258 WeakPolarHBondContact O-CB 3.32Å; W1254-L1258 WeakPolarHBondContact O-CG 3.22Å; W1254-L1258 PolarHBondContact O-N 3.07Å; G1255-L1258 PolarHBondContact O-N 3.46Å; L1258-V1261 PolarHBondContact O-N 2.85Å; L1258-R1262 WeakPolarHBondContact O-CB 3.15Å; L1258-R1262 PolarHBondContact O-N 3.3Å
1259C84.2Confident82.4Confident23 Ų2357.8 Ų57.816%0.15533%0.327CS..Hα-helixtrans-63.3-44.1171.6177.20000112.3G1255 V1261 R1262 Q1263 C1287G1255-C1259 WeakPolarHBondContact O-CB 3.42Å; G1255-C1259 PolarHBondContact O-N 2.74Å; C1259-V1261 VanDerWaalsContact C-N 3.32Å; C1259-V1261 PolarHBondContact O-N 2.95Å; C1259-R1262 WeakPolarHBondContact O-CB 3.44Å; C1259-R1262 PolarHBondContact O-N 2.79Å; C1259-Q1263 WeakPolarHBondContact O-CG 3.4Å; C1259-Q1263 PolarHBondContact O-N 3.12Å; C1259-C1287 WeakPolarHBondContact CA-SG 3.11Å; C1259-C1287 HydrophobicContact CB-CB 4Å; C1259-C1287 WeakPolarHBondContact CB-SG 3.37Å; C1259-C1287 WeakPolarHBondContact SG-CB 3.37Å; C1259-C1287 CovalentContact SG-SG 2.04Å; C1259-C1287 PolarHBondContact SG-SG 3.14Å
1260I83.9Confident82.6Confident71 Ų7154.9 Ų54.936%0.36431%0.313SS..Hα-helixtrans-60.8-41.1174.3-69.9162.5000110.9K1256 T1257 Q1263 L1264 F1674K1256-I1260 WeakPolarHBondContact O-CD1 3.46Å; K1256-I1260 VanDerWaalsContact O-CG1 3.25Å; K1256-I1260 WeakPolarHBondContact O-CG1 3.49Å; K1256-I1260 PolarHBondContact O-N 3.47Å; T1257-I1260 PolarHBondContact O-N 3.45Å; I1260-Q1263 PolarHBondContact O-N 3.2Å; I1260-L1264 WeakPolarHBondContact O-CB 3.37Å; I1260-L1264 PolarHBondContact O-N 2.93Å; I1260-F1674 HydrophobicContact CG1-CB 4.17Å
1261V86.5Confident82.8Confident60 Ų6051.8 Ų51.836%0.36430%0.299SS..Hα-helixtrans-63-45.1174.6168.50000111.4F1248 T1257 L1258 C1259 Q1263 L1264 F1265F1248-V1261 HydrophobicContact CE1-CG1 4.31Å; T1257-V1261 WeakPolarHBondContact O-CG2 3.35Å; T1257-V1261 PolarHBondContact O-N 3.26Å; L1258-V1261 PolarHBondContact O-N 2.85Å; C1259-V1261 VanDerWaalsContact C-N 3.32Å; C1259-V1261 PolarHBondContact O-N 2.95Å; V1261-Q1263 VanDerWaalsContact C-N 3.32Å; V1261-Q1263 PolarHBondContact O-N 2.93Å; V1261-L1264 PolarHBondContact O-N 3.44Å; V1261-F1265 HydrophobicContact CG1-CD2 4.04Å; V1261-F1265 HydrophobicContact CG1-CE2 4.42Å; V1261-F1265 PolarHBondContact O-N 3.43Å; V1261-F1265 VanDerWaalsContact O-N 3.08Å
1262R85.5Confident83.2Confident8 Ų853.4 Ų53.43%0.0330%0.298CS..Hα-helixtrans-58.2-42.6176179.4179.2166.5-141.8-19.4111.5F1248 L1258 C1259 S1266 I1267 F1283 C1287 V1289F1248-R1262 HydrophobicContact CD1-CB 4.15Å; L1258-R1262 WeakPolarHBondContact O-CB 3.15Å; L1258-R1262 PolarHBondContact O-N 3.3Å; C1259-R1262 WeakPolarHBondContact O-CB 3.44Å; C1259-R1262 PolarHBondContact O-N 2.79Å; R1262-S1266 CarbonylContact O-C 3.45Å; R1262-S1266 VanDerWaalsContact O-CA 3.29Å; R1262-S1266 WeakPolarHBondContact O-CA 3.39Å; R1262-S1266 PolarHBondContact O-N 3.09Å; R1262-S1266 VanDerWaalsContact O-N 3.08Å; R1262-I1267 HydrophobicContact CG-CB 4.23Å; R1262-I1267 WeakPolarHBondContact CG-O 3.43Å; R1262-I1267 PolarHBondContact NE-O 3.03Å; R1262-I1267 PolarHBondContact O-N 3.33Å; R1262-F1283 PolarHBondContact NH1-O 2.91Å; R1262-C1287 PolarHBondContact NH1-O 3.39Å; R1262-C1287 PolarHBondContact NH2-O 3.47Å; R1262-V1289 HydrophobicContact CG-CG2 4.12Å
1263Q83.3Confident83.4Confident17 Ų1755.1 Ų55.18%0.07929%0.291CS..Hα-helixtrans-72.3-42.7176.5-72.6177.5-21.700112.8C1259 I1260 V1261 F1265 S1266 A1288 V1289 A1673C1259-Q1263 WeakPolarHBondContact O-CG 3.4Å; C1259-Q1263 PolarHBondContact O-N 3.12Å; I1260-Q1263 PolarHBondContact O-N 3.2Å; V1261-Q1263 VanDerWaalsContact C-N 3.32Å; V1261-Q1263 PolarHBondContact O-N 2.93Å; Q1263-F1265 PolarHBondContact O-N 3.1Å; Q1263-S1266 PolarHBondContact O-N 3.33Å; Q1263-A1288 PolarHBondContact NE2-O 3.33Å; Q1263-V1289 HydrophobicContact CG-CG2 3.89Å; Q1263-A1673 HydrophobicContact CG-CB 4.48Å
1264L85.4Confident83.6Confident47 Ų4752.9 Ų52.925%0.24627%0.266CS..Hα-helixtrans-67.1-36.4-175.8-168.7111.8000113.1L1184 I1260 V1261 F1672L1184-L1264 HydrophobicContact CB-CD2 4.16Å; L1184-L1264 HydrophobicContact CB-CG 4.21Å; L1184-L1264 WeakPolarHBondContact CB-O 2.99Å; L1184-L1264 HydrophobicContact CD1-CD2 4.39Å; L1184-L1264 HydrophobicContact CD2-CD2 3.96Å; L1184-L1264 HydrophobicContact CG-CD2 4.4Å; L1184-L1264 PolarHBondContact N-O 2.98Å; I1260-L1264 WeakPolarHBondContact O-CB 3.37Å; I1260-L1264 PolarHBondContact O-N 2.93Å; V1261-L1264 PolarHBondContact O-N 3.44Å; L1264-F1672 HydrophobicContact CD1-CZ 4.5Å
1265F86Confident83.6Confident71 Ų7147.9 Ų47.931%0.31125%0.25SS..THydrogen-bonded Turntrans-94.4-3.9174-70.5-75.1000113.8L1184 F1185 V1261 Q1263 I1267L1184-F1265 HydrophobicContact CD2-CE1 3.8Å; L1184-F1265 HydrophobicContact CD2-CZ 4.04Å; F1185-F1265 HydrophobicContact CE2-CD1 4.04Å; F1185-F1265 AromaticContact CZ-CD1 3.87Å; F1185-F1265 HydrophobicContact CZ-CD1 3.87Å; F1185-F1265 HydrophobicContact CZ-CE1 4.43Å; V1261-F1265 HydrophobicContact CG1-CD2 4.04Å; V1261-F1265 HydrophobicContact CG1-CE2 4.42Å; V1261-F1265 PolarHBondContact O-N 3.43Å; V1261-F1265 VanDerWaalsContact O-N 3.08Å; Q1263-F1265 PolarHBondContact O-N 3.1Å; F1265-I1267 HydrophobicContact CB-CD1 4.15Å; F1265-I1267 HydrophobicContact CB-CG1 3.85Å
1266S84Confident83.3Confident7 Ų752.6 Ų52.65%0.04928%0.278CS..THydrogen-bonded Turntrans54.352.5-175.7-144.40000113.5R1262 Q1263 T1268 V1289 E1293R1262-S1266 CarbonylContact O-C 3.45Å; R1262-S1266 VanDerWaalsContact O-CA 3.29Å; R1262-S1266 WeakPolarHBondContact O-CA 3.39Å; R1262-S1266 PolarHBondContact O-N 3.09Å; R1262-S1266 VanDerWaalsContact O-N 3.08Å; Q1263-S1266 PolarHBondContact O-N 3.33Å; S1266-T1268 PolarHBondContact O-N 2.99Å; S1266-V1289 WeakPolarHBondContact OG-CG1 3.19Å; S1266-E1293 VanDerWaalsContact CB-OE2 3.31Å; S1266-E1293 WeakPolarHBondContact CB-OE2 3.44Å; S1266-E1293 VanDerWaalsContact OG-CB 3.23Å; S1266-E1293 WeakPolarHBondContact OG-CB 3.35Å; S1266-E1293 PolarHBondContact OG-OE2 2.84Å
1267I86Confident83.4Confident9 Ų945.7 Ų45.75%0.04625%0.248CC..  trans-79.1104.7-178.3-55176.9000109.3L1237 F1248 R1262 F1265L1237-I1267 HydrophobicContact CD2-CD1 4.26Å; L1237-I1267 HydrophobicContact CD2-CG1 4.38Å; F1248-I1267 HydrophobicContact CE1-CD1 4.04Å; F1248-I1267 HydrophobicContact CE2-CG2 4.35Å; F1248-I1267 HydrophobicContact CZ-CD1 3.69Å; F1248-I1267 HydrophobicContact CZ-CG2 4.39Å; R1262-I1267 HydrophobicContact CG-CB 4.23Å; R1262-I1267 WeakPolarHBondContact CG-O 3.43Å; R1262-I1267 PolarHBondContact NE-O 3.03Å; R1262-I1267 PolarHBondContact O-N 3.33Å; F1265-I1267 HydrophobicContact CB-CD1 4.15Å; F1265-I1267 HydrophobicContact CB-CG1 3.85Å
1268T83.6Confident82.8Confident20 Ų2049.1 Ų49.112%0.12326%0.257CS..  trans-150.4153.4173-178.90000109.7Q1238 S1266 V1270 V1289 T1291Q1238-T1268 PolarHBondContact NE2-O 3.23Å; S1266-T1268 PolarHBondContact O-N 2.99Å; T1268-V1270 HydrophobicContact CG2-CG2 4.28Å; T1268-V1289 HydrophobicContact CG2-CG1 4.28Å; T1268-T1291 HydrophobicContact CG2-CG2 4.33Å
1269C85.4Confident82.1Confident34 Ų3455.9 Ų55.923%0.2329%0.288CS..  trans-67141.2165.5-161.10000110.1C1242C1242-C1269 HydrophobicContact CB-CB 3.87Å; C1242-C1269 WeakPolarHBondContact CB-SG 3.27Å; C1242-C1269 WeakPolarHBondContact SG-CA 3.36Å; C1242-C1269 WeakPolarHBondContact SG-CB 3.48Å; C1242-C1269 CovalentContact SG-SG 2.04Å; C1242-C1269 PolarHBondContact SG-SG 3Å
1270V84Confident81.8Confident23 Ų2355.3 Ų55.314%0.13928%0.283CS..  trans-127.5-19-177.6177.20000111.7T1268 N1272 N1295T1268-V1270 HydrophobicContact CG2-CG2 4.28Å; V1270-N1272 PolarHBondContact O-N 3.27Å; V1270-N1295 WeakPolarHBondContact CG1-ND2 3.15Å
1271N82.5Confident81.5Confident18 Ų1856.5 Ų56.510%0.09629%0.287CS..  trans-77.3116.1173.7-167.5-24.9000110.1Y1102 E1273 C1274Y1102-N1271 PolarHBondContact OH-ND2 3.27Å; N1271-E1273 PolarHBondContact O-N 2.98Å; N1271-E1273 PolarHBondContact OD1-N 3.28Å; N1271-E1273 VanDerWaalsContact OD1-N 3.15Å; N1271-C1274 PolarHBondContact O-N 3.16Å
1272N80.3Confident81Confident154 Ų15459 Ų5982%0.82430%0.299SS*.THydrogen-bonded Turntrans-63-23.4-176.5-64.9-22.5000114V1270 C1274V1270-N1272 PolarHBondContact O-N 3.27Å; N1272-C1274 VanDerWaalsContact C-N 3.28Å
1273E80Confident80.7Confident93 Ų9359.7 Ų59.744%0.43530%0.302SS..THydrogen-bonded Turntrans-83.4-5.9-177.3-52.4-62.6152.400112.3Y1087 N1271Y1087-E1273 HydrophobicContact CE1-CB 3.83Å; Y1087-E1273 HydrophobicContact CE2-CB 3.91Å; Y1087-E1273 VanDerWaalsContact CZ-CB 3.46Å; Y1087-E1273 WeakPolarHBondContact OH-CB 3.34Å; Y1087-E1273 WeakPolarHBondContact OH-CG 3.48Å; N1271-E1273 PolarHBondContact O-N 2.98Å; N1271-E1273 PolarHBondContact OD1-N 3.28Å; N1271-E1273 VanDerWaalsContact OD1-N 3.15Å
1274C83.2Confident80.3Confident12 Ų1261 Ų618%0.08131%0.313CS..SBendtrans-82.9134.8171.1-70.10000111N1084 N1271 N1272N1084-C1274 HydrophobicContact CB-CB 4.46Å; N1084-C1274 VanDerWaalsContact OD1-CA 3.32Å; N1084-C1274 WeakPolarHBondContact OD1-CA 3.39Å; N1084-C1274 WeakPolarHBondContact OD1-CB 3.46Å; N1271-C1274 PolarHBondContact O-N 3.16Å; N1272-C1274 VanDerWaalsContact C-N 3.28Å
1275H81.9Confident79.8Confident84 Ų8463.8 Ų63.839%0.38932%0.323SS..PPolyproline II helixtrans-62.4138.1174.4-74.9-162000111.7D1080 F1083 N1084 L1277D1080-H1275 HydrophobicContact CB-CB 3.97Å; D1080-H1275 IonicContact OD1-CE1 2.98Å; D1080-H1275 IonicContact OD1-CG 3.23Å; D1080-H1275 IonicContact OD1-ND1 3.46Å; D1080-H1275 PolarHBondContact OD1-ND1 2.97Å; F1083-H1275 HydrophobicContact CD1-CB 4.49Å; F1083-H1275 AromaticContact CD1-CD2 3.65Å; F1083-H1275 AromaticContact CD1-CG 3.88Å; F1083-H1275 AromaticContact CD1-NE2 3.9Å; F1083-H1275 AromaticContact CE1-CD2 3.49Å; F1083-H1275 VanDerWaalsContact CE1-CD2 3.49Å; F1083-H1275 WeakPolarHBondContact CE1-CD2 3.47Å; F1083-H1275 AromaticContact CE1-NE2 3.62Å; F1083-H1275 AromaticContact CZ-NE2 3.77Å; N1084-H1275 PolarHBondContact ND2-O 3.2Å; N1084-H1275 PolarHBondContact OD1-N 2.68Å; H1275-L1277 PolarHBondContact O-N 3.31Å
1276V74.9Confident79.3Confident108 Ų10864.5 Ų64.566%0.65534%0.342SS*.PPolyproline II helixtrans-73123.6170.3-179.10000109K1278V1276-K1278 PolarHBondContact O-N 3.04Å
1277L80.1Confident79.1Confident14 Ų1464.3 Ų64.37%0.07334%0.34CS..  trans-66.591.9177.8-65.2166.7000110.4D1080 A1081 L1245 H1275 E1279 L1280D1080-L1277 HydrophobicContact CB-CD2 4.06Å; A1081-L1277 HydrophobicContact CB-CD2 3.89Å; L1245-L1277 HydrophobicContact CB-CD1 3.83Å; H1275-L1277 PolarHBondContact O-N 3.31Å; L1277-E1279 VanDerWaalsContact C-N 3.26Å; L1277-E1279 PolarHBondContact O-N 3.22Å; L1277-L1280 HydrophobicContact CB-CD1 4.15Å; L1277-L1280 HydrophobicContact CD1-CD1 4.5Å; L1277-L1280 PolarHBondContact O-N 3.42Å
1278K73.3Confident78.6Confident146 Ų14665.9 Ų65.964%0.63536%0.355SS*.G310 helixtrans-55.2-37.3-171.6-67167.5-171.5133.90113.8D1080 V1276 L1280 E1281D1080-K1278 IonicContact OD2-NZ 3.3Å; V1276-K1278 PolarHBondContact O-N 3.04Å; K1278-L1280 PolarHBondContact O-N 3.13Å; K1278-L1280 VanDerWaalsContact O-N 3.08Å; K1278-E1281 PolarHBondContact O-N 3.29Å
1279E70.5Confident78.3Confident155 Ų15566.3 Ų66.372%0.72436%0.358SS*.G310 helixtrans-57.6-22.7177.4-60.8177.2147.200113L1277L1277-E1279 VanDerWaalsContact C-N 3.26Å; L1277-E1279 PolarHBondContact O-N 3.22Å
1280L77.5Confident77.8Confident10 Ų1067.8 Ų67.85%0.05236%0.361CS..G310 helixtrans-11112.8-176.2-74.1122.6000113.8D1249 L1277 K1278 D1282 F1283 S1284D1249-L1280 HydrophobicContact CB-CD2 3.5Å; L1277-L1280 HydrophobicContact CB-CD1 4.15Å; L1277-L1280 HydrophobicContact CD1-CD1 4.5Å; L1277-L1280 PolarHBondContact O-N 3.42Å; K1278-L1280 PolarHBondContact O-N 3.13Å; K1278-L1280 VanDerWaalsContact O-N 3.08Å; L1280-D1282 VanDerWaalsContact C-N 3.3Å; L1280-D1282 PolarHBondContact O-N 3.41Å; L1280-F1283 HydrophobicContact CD2-CB 4.14Å; L1280-F1283 HydrophobicContact CD2-CD1 3.74Å; L1280-F1283 HydrophobicContact CD2-CG 4.17Å; L1280-F1283 PolarHBondContact O-N 3.43Å; L1280-S1284 WeakPolarHBondContact O-CB 3.32Å; L1280-S1284 PolarHBondContact O-N 3.45Å
1281E76.8Confident77.4Confident96 Ų9670.6 Ų70.645%0.44938%0.378SS..Hα-helixtrans-61.4-39.8-178.8-156.1-165.211500111.6K1278 S1284 K1285K1278-E1281 PolarHBondContact O-N 3.29Å; E1281-S1284 WeakPolarHBondContact O-CB 3.46Å; E1281-S1284 PolarHBondContact O-N 2.86Å; E1281-S1284 PolarHBondContact O-OG 3.35Å; E1281-K1285 WeakPolarHBondContact O-CG 3.49Å; E1281-K1285 PolarHBondContact O-N 3.24Å; E1281-K1285 VanDerWaalsContact O-N 3.09Å; E1281-K1285 WeakPolarHBondContact OE1-CE 3.31Å; E1281-K1285 IonicContact OE1-NZ 3.81Å; E1281-K1285 PolarHBondContact OE1-NZ 2.96Å
1282D76.8Confident77.1Confident114 Ų11475.1 Ų75.161%0.6140%0.397SS*.Hα-helixtrans-75.3-33.3178.4-71.7-16.7000113L1280 S1284 K1285 A1286L1280-D1282 VanDerWaalsContact C-N 3.3Å; L1280-D1282 PolarHBondContact O-N 3.41Å; D1282-S1284 VanDerWaalsContact C-N 3.26Å; D1282-S1284 PolarHBondContact O-N 3.18Å; D1282-K1285 PolarHBondContact O-N 2.99Å; D1282-K1285 IonicContact OD1-NZ 2.82Å; D1282-K1285 PolarHBondContact OD1-NZ 3.03Å; D1282-A1286 WeakPolarHBondContact O-CB 3.46Å; D1282-A1286 PolarHBondContact O-N 3.01Å
1283F79.7Confident76.9Confident22 Ų2268.6 Ų68.610%0.09636%0.362CS..Hα-helixtrans-63.1-33.6166.2176.1-107.2000111.9F1248 D1249 R1262 L1280 C1287F1248-F1283 HydrophobicContact CB-CE1 3.86Å; F1248-F1283 HydrophobicContact CB-CZ 3.73Å; F1248-F1283 WeakPolarHBondContact O-CZ 3.24Å; D1249-F1283 HydrophobicContact CB-CB 4.22Å; D1249-F1283 HydrophobicContact CB-CD1 3.98Å; D1249-F1283 HydrophobicContact CB-CD2 3.72Å; D1249-F1283 HydrophobicContact CB-CE1 4.26Å; D1249-F1283 HydrophobicContact CB-CE2 4.04Å; D1249-F1283 HydrophobicContact CB-CG 3.7Å; D1249-F1283 HydrophobicContact CB-CZ 4.3Å; D1249-F1283 VanDerWaalsContact CG-CD2 3.5Å; D1249-F1283 WeakPolarHBondContact OD1-CD2 3.48Å; R1262-F1283 PolarHBondContact NH1-O 2.91Å; L1280-F1283 HydrophobicContact CD2-CB 4.14Å; L1280-F1283 HydrophobicContact CD2-CD1 3.74Å; L1280-F1283 HydrophobicContact CD2-CG 4.17Å; L1280-F1283 PolarHBondContact O-N 3.43Å; F1283-C1287 HydrophobicContact CE2-CB 4.12Å; F1283-C1287 HydrophobicContact CZ-CB 4.23Å; F1283-C1287 WeakPolarHBondContact O-CB 3.47Å; F1283-C1287 PolarHBondContact O-N 3.16Å
1284S74Confident76.8Confident44 Ų4464.4 Ų64.431%0.30834%0.343SS..Hα-helixtrans-66.4-36.7175.490.80000112.1L1280 E1281 D1282 C1287 A1288L1280-S1284 WeakPolarHBondContact O-CB 3.32Å; L1280-S1284 PolarHBondContact O-N 3.45Å; E1281-S1284 WeakPolarHBondContact O-CB 3.46Å; E1281-S1284 PolarHBondContact O-N 2.86Å; E1281-S1284 PolarHBondContact O-OG 3.35Å; D1282-S1284 VanDerWaalsContact C-N 3.26Å; D1282-S1284 PolarHBondContact O-N 3.18Å; S1284-C1287 CarbonylContact O-C 3.53Å; S1284-A1288 WeakPolarHBondContact O-CA 3.46Å; S1284-A1288 PolarHBondContact O-N 2.75Å
1285K75Confident76.8Confident106 Ų10666.8 Ų66.846%0.46136%0.355SS..Hα-helixtrans-73.9-43.8175.3-64.7164-160.9156.30112E1281 D1282E1281-K1285 WeakPolarHBondContact O-CG 3.49Å; E1281-K1285 PolarHBondContact O-N 3.24Å; E1281-K1285 VanDerWaalsContact O-N 3.09Å; E1281-K1285 WeakPolarHBondContact OE1-CE 3.31Å; E1281-K1285 IonicContact OE1-NZ 3.81Å; E1281-K1285 PolarHBondContact OE1-NZ 2.96Å; D1282-K1285 PolarHBondContact O-N 2.99Å; D1282-K1285 IonicContact OD1-NZ 2.82Å; D1282-K1285 PolarHBondContact OD1-NZ 3.03Å
1286A75.2Confident77.2Confident86 Ų8662.8 Ų62.871%0.71134%0.337SS*.Hα-helixtrans-66.9-37.4179.100000112.5D1282D1282-A1286 WeakPolarHBondContact O-CB 3.46Å; D1282-A1286 PolarHBondContact O-N 3.01Å
1287C80.5Confident77.7Confident2 Ų258.6 Ų58.61%0.01432%0.315CS..THydrogen-bonded Turntrans-116.565.4176.5-170.10000110.7C1259 R1262 F1283 S1284C1259-C1287 WeakPolarHBondContact CA-SG 3.11Å; C1259-C1287 HydrophobicContact CB-CB 4Å; C1259-C1287 WeakPolarHBondContact CB-SG 3.37Å; C1259-C1287 WeakPolarHBondContact SG-CB 3.37Å; C1259-C1287 CovalentContact SG-SG 2.04Å; C1259-C1287 PolarHBondContact SG-SG 3.14Å; R1262-C1287 PolarHBondContact NH1-O 3.39Å; R1262-C1287 PolarHBondContact NH2-O 3.47Å; F1283-C1287 HydrophobicContact CE2-CB 4.12Å; F1283-C1287 HydrophobicContact CZ-CB 4.23Å; F1283-C1287 WeakPolarHBondContact O-CB 3.47Å; F1283-C1287 PolarHBondContact O-N 3.16Å; S1284-C1287 CarbonylContact O-C 3.53Å
1288A76.4Confident78.1Confident42 Ų4263.5 Ų63.535%0.34734%0.336SS..  trans-64.7145.7-177.200000113.2Q1263 S1284Q1263-A1288 PolarHBondContact NE2-O 3.33Å; S1284-A1288 WeakPolarHBondContact O-CA 3.46Å; S1284-A1288 PolarHBondContact O-N 2.75Å
1289V76.4Confident78.9Confident30 Ų3056.7 Ų56.718%0.18231%0.307CS..  trans-143.9139.1177.3177.20000108.2R1262 Q1263 S1266 T1268R1262-V1289 HydrophobicContact CG-CG2 4.12Å; Q1263-V1289 HydrophobicContact CG-CG2 3.89Å; S1266-V1289 WeakPolarHBondContact OG-CG1 3.19Å; T1268-V1289 HydrophobicContact CG2-CG1 4.28Å
1290E74.8Confident79.9Confident64 Ų6449.8 Ų49.830%0.29928%0.275SS..  trans-81.6118.8177.5-74.7-166.7-132.900112.2K1292 E1293 Q1701E1290-K1292 PolarHBondContact O-N 2.67Å; E1290-K1292 IonicContact OE2-NZ 2.75Å; E1290-K1292 PolarHBondContact OE2-NZ 3.19Å; E1290-E1293 HydrophobicContact CB-CG 4.27Å; E1290-E1293 PolarHBondContact O-N 2.89Å; E1290-Q1701 PolarHBondContact OE1-NE2 3.08Å; E1290-Q1701 VanDerWaalsContact OE1-NE2 3.11Å
1291T75.1Confident80.6Confident82 Ų8253.2 Ų53.250%0.50329%0.293SS..Hα-helixtrans-59.7-19.3179.352.10000114.5T1268 E1293 N1295T1268-T1291 HydrophobicContact CG2-CG2 4.33Å; T1291-E1293 PolarHBondContact O-N 3.1Å; T1291-N1295 PolarHBondContact O-ND2 3.4Å
1292K77.6Confident81.3Confident114 Ų11448.7 Ų48.750%0.49627%0.271SS..Hα-helixtrans-58.2-32.8172.4-60.6175.6-164.5144.10112.5E1290 N1295 D1703E1290-K1292 PolarHBondContact O-N 2.67Å; E1290-K1292 IonicContact OE2-NZ 2.75Å; E1290-K1292 PolarHBondContact OE2-NZ 3.19Å; K1292-N1295 WeakPolarHBondContact O-CB 3.37Å; K1292-D1703 IonicContact NZ-OD2 2.84Å; K1292-D1703 PolarHBondContact NZ-OD2 3.44Å
1293E75.5Confident82.1Confident17 Ų1743.4 Ų43.48%0.07924%0.243CC..Hα-helixtrans-80-32.7-170.4-59.1-171.316100113.8T1182 K1234 S1266 E1290 T1291 N1295T1182-E1293 WeakPolarHBondContact CA-OE1 3.33Å; T1182-E1293 WeakPolarHBondContact CB-OE1 3.3Å; T1182-E1293 PolarHBondContact N-OE1 3.39Å; T1182-E1293 PolarHBondContact OG1-OE1 3.42Å; K1234-E1293 WeakPolarHBondContact CE-O 3.19Å; K1234-E1293 PolarHBondContact NZ-O 3.34Å; K1234-E1293 VanDerWaalsContact NZ-O 3.16Å; S1266-E1293 VanDerWaalsContact CB-OE2 3.31Å; S1266-E1293 WeakPolarHBondContact CB-OE2 3.44Å; S1266-E1293 VanDerWaalsContact OG-CB 3.23Å; S1266-E1293 WeakPolarHBondContact OG-CB 3.35Å; S1266-E1293 PolarHBondContact OG-OE2 2.84Å; E1290-E1293 HydrophobicContact CB-CG 4.27Å; E1290-E1293 PolarHBondContact O-N 2.89Å; T1291-E1293 PolarHBondContact O-N 3.1Å; E1293-N1295 PolarHBondContact O-N 2.92Å
1294G76.9Confident82.6Confident4 Ų443.5 Ų43.54%0.04125%0.247CC..Hα-helixtrans-69.4-17.7176.200000113.6
1295N84.2Confident83.5Confident63 Ų6345.5 Ų45.534%0.33725%0.25SS..  trans-65.6144.9175.5-85-86.5000112.1K1234 V1270 T1291 K1292 E1293K1234-N1295 PolarHBondContact NZ-O 3.43Å; V1270-N1295 WeakPolarHBondContact CG1-ND2 3.15Å; T1291-N1295 PolarHBondContact O-ND2 3.4Å; K1292-N1295 WeakPolarHBondContact O-CB 3.37Å; E1293-N1295 PolarHBondContact O-N 2.92Å
1296I89.2Confident84.4Confident0 Ų040.5 Ų40.50%023%0.228CC..  trans-98.51.3178.368.2164000114.3I1009 F1010 M1013 I1231 K1234 V1235 F1298 D1299 V1300I1009-I1296 HydrophobicContact CG2-CD1 3.72Å; F1010-I1296 HydrophobicContact CB-CD1 3.92Å; F1010-I1296 HydrophobicContact CB-CG1 3.85Å; F1010-I1296 HydrophobicContact CD2-CG1 3.72Å; F1010-I1296 HydrophobicContact CG-CG1 4.21Å; M1013-I1296 HydrophobicContact CE-CG2 4.06Å; M1013-I1296 HydrophobicContact SD-CD1 3.9Å; M1013-I1296 HydrophobicContact SD-CG1 3.86Å; M1013-I1296 HydrophobicContact SD-CG2 4.28Å; I1231-I1296 HydrophobicContact CG2-CD1 4Å; K1234-I1296 HydrophobicContact CB-CG2 3.62Å; K1234-I1296 HydrophobicContact CD-CG2 3.63Å; K1234-I1296 HydrophobicContact CG-CG2 4.3Å; V1235-I1296 HydrophobicContact CG2-CD1 4.4Å; I1296-F1298 VanDerWaalsContact C-N 3.34Å; I1296-F1298 PolarHBondContact O-N 2.88Å; I1296-D1299 WeakPolarHBondContact O-CA 3.46Å; I1296-D1299 WeakPolarHBondContact O-CB 3.21Å; I1296-D1299 PolarHBondContact O-N 2.88Å; I1296-V1300 HydrophobicContact CD1-CG2 3.97Å; I1296-V1300 HydrophobicContact CG1-CG2 4.2Å; I1296-V1300 PolarHBondContact O-N 3.36Å
1297G87.1Confident85.1Confident20 Ų2037.1 Ų37.121%0.20620%0.199CC..Hα-helixtrans-55.5-42.1-171.700000114.4V1300 I1301G1297-V1300 PolarHBondContact O-N 3.4Å; G1297-I1301 WeakPolarHBondContact O-CG1 3.24Å; G1297-I1301 PolarHBondContact O-N 3.16Å; G1297-I1301 VanDerWaalsContact O-N 3.16Å
1298F88.2Confident85.5Confident116 Ų11640.9 Ų40.951%0.50922%0.215SC..Hα-helixtrans-70.3-32.6175.3-72.3-75.6000113.2A1177 A1180 I1296 I1301 A1302A1177-F1298 HydrophobicContact CB-CB 4.12Å; A1180-F1298 HydrophobicContact CB-CD1 4.33Å; A1180-F1298 HydrophobicContact CB-CD2 3.52Å; A1180-F1298 HydrophobicContact CB-CE1 4.42Å; A1180-F1298 HydrophobicContact CB-CE2 3.63Å; A1180-F1298 HydrophobicContact CB-CG 3.9Å; A1180-F1298 HydrophobicContact CB-CZ 4.09Å; I1296-F1298 VanDerWaalsContact C-N 3.34Å; I1296-F1298 PolarHBondContact O-N 2.88Å; F1298-I1301 PolarHBondContact O-N 3.2Å; F1298-A1302 WeakPolarHBondContact O-CB 3.36Å; F1298-A1302 PolarHBondContact O-N 3.06Å
1299D90.4Very high86.2Confident4 Ų439 Ų392%0.02120%0.199CC..Hα-helixtrans-64.3-40.3173.5-63.7-87.9000111.1Y1189 T1227 T1230 I1231 K1234 I1296 A1302 L1303Y1189-D1299 VanDerWaalsContact CE2-OD1 3.23Å; Y1189-D1299 WeakPolarHBondContact CE2-OD1 3.33Å; Y1189-D1299 PolarHBondContact OH-OD1 2.96Å; T1227-D1299 WeakPolarHBondContact CG2-O 3.33Å; T1230-D1299 PolarHBondContact OG1-OD1 3.44Å; I1231-D1299 HydrophobicContact CD1-CB 4.01Å; I1231-D1299 HydrophobicContact CG1-CB 3.55Å; K1234-D1299 IonicContact NZ-OD2 3.83Å; K1234-D1299 PolarHBondContact NZ-OD2 3.47Å; I1296-D1299 WeakPolarHBondContact O-CA 3.46Å; I1296-D1299 WeakPolarHBondContact O-CB 3.21Å; I1296-D1299 PolarHBondContact O-N 2.88Å; D1299-A1302 PolarHBondContact O-N 2.56Å; D1299-L1303 WeakPolarHBondContact O-CB 3.33Å; D1299-L1303 PolarHBondContact O-N 3.24Å
1300V91.4Very high86.8Confident9 Ų938.9 Ų38.96%0.05520%0.197CC..Hα-helixtrans-68.6-34.4177.1177.60000112.2G1006 I1007 F1010 I1231 I1296 G1297 S1304G1006-V1300 WeakPolarHBondContact O-CG2 3.44Å; I1007-V1300 HydrophobicContact CG1-CG1 4.29Å; F1010-V1300 HydrophobicContact CB-CG2 4.33Å; I1231-V1300 HydrophobicContact CD1-CG2 4.31Å; I1296-V1300 HydrophobicContact CD1-CG2 3.97Å; I1296-V1300 HydrophobicContact CG1-CG2 4.2Å; I1296-V1300 PolarHBondContact O-N 3.36Å; G1297-V1300 PolarHBondContact O-N 3.4Å; V1300-S1304 WeakPolarHBondContact O-CB 3.49Å; V1300-S1304 PolarHBondContact O-N 2.99Å; V1300-S1304 PolarHBondContact O-OG 2.97Å
1301I91.3Very high87.4Confident83 Ų8338.8 Ų38.843%0.42619%0.194SC..Hα-helixtrans-66.3-46.6171.7-66.8167000110.4G1297 F1298 L1303 S1304 F1305G1297-I1301 WeakPolarHBondContact O-CG1 3.24Å; G1297-I1301 PolarHBondContact O-N 3.16Å; G1297-I1301 VanDerWaalsContact O-N 3.16Å; F1298-I1301 PolarHBondContact O-N 3.2Å; I1301-L1303 PolarHBondContact O-N 3.2Å; I1301-S1304 WeakPolarHBondContact O-CB 3.49Å; I1301-S1304 PolarHBondContact O-N 3.12Å; I1301-F1305 HydrophobicContact CG2-CD2 4.03Å; I1301-F1305 HydrophobicContact CG2-CE2 4.02Å; I1301-F1305 WeakPolarHBondContact O-CD2 3.49Å; I1301-F1305 PolarHBondContact O-N 3.38Å; I1301-F1305 VanDerWaalsContact O-N 3.13Å
1302A91.2Very high88Confident0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-59.7-44.717600000111.9T1174 A1177 F1298 D1299 S1304 F1305 L1306T1174-A1302 HydrophobicContact CG2-CB 3.99Å; A1177-A1302 HydrophobicContact CB-CB 4.33Å; F1298-A1302 WeakPolarHBondContact O-CB 3.36Å; F1298-A1302 PolarHBondContact O-N 3.06Å; D1299-A1302 PolarHBondContact O-N 2.56Å; A1302-S1304 VanDerWaalsContact C-N 3.34Å; A1302-S1304 PolarHBondContact O-N 2.86Å; A1302-F1305 PolarHBondContact O-N 3.12Å; A1302-L1306 WeakPolarHBondContact O-CB 3.47Å; A1302-L1306 VanDerWaalsContact O-CG 3.27Å; A1302-L1306 WeakPolarHBondContact O-CG 3.33Å; A1302-L1306 PolarHBondContact O-N 3.23Å
1303L93.2Very high88.5Confident3 Ų330.7 Ų30.72%0.01615%0.153CC..Hα-helixtrans-55-47.5173.7177.664.1000111.7L1024 L1224 T1227 L1228 I1231 D1299 I1301 F1305 L1306 V1307L1024-L1303 HydrophobicContact CD2-CD2 3.9Å; L1224-L1303 HydrophobicContact CD1-CD1 3.47Å; L1224-L1303 VanDerWaalsContact CD1-CD1 3.47Å; T1227-L1303 HydrophobicContact CG2-CB 3.86Å; L1228-L1303 HydrophobicContact CD2-CD1 3.92Å; L1228-L1303 HydrophobicContact CD2-CD2 4.44Å; L1228-L1303 HydrophobicContact CG-CD1 4.33Å; I1231-L1303 HydrophobicContact CD1-CB 4.44Å; I1231-L1303 HydrophobicContact CD1-CD2 4.07Å; D1299-L1303 WeakPolarHBondContact O-CB 3.33Å; D1299-L1303 PolarHBondContact O-N 3.24Å; I1301-L1303 PolarHBondContact O-N 3.2Å; L1303-F1305 VanDerWaalsContact C-N 3.34Å; L1303-F1305 PolarHBondContact O-N 3.03Å; L1303-L1306 PolarHBondContact O-N 3.33Å; L1303-V1307 HydrophobicContact CD1-CG2 4.12Å; L1303-V1307 HydrophobicContact CG-CG2 4.48Å; L1303-V1307 WeakPolarHBondContact O-CG2 3.34Å; L1303-V1307 PolarHBondContact O-N 3.43Å
1304S92Very high88.8Confident25 Ų2532 Ų3218%0.17516%0.159CC..Hα-helixtrans-58.3-45.9179.7-59.60000111.7V1300 I1301 A1302 F1308V1300-S1304 WeakPolarHBondContact O-CB 3.49Å; V1300-S1304 PolarHBondContact O-N 2.99Å; V1300-S1304 PolarHBondContact O-OG 2.97Å; I1301-S1304 WeakPolarHBondContact O-CB 3.49Å; I1301-S1304 PolarHBondContact O-N 3.12Å; A1302-S1304 VanDerWaalsContact C-N 3.34Å; A1302-S1304 PolarHBondContact O-N 2.86Å; S1304-F1308 VanDerWaalsContact O-CD2 3.3Å; S1304-F1308 WeakPolarHBondContact O-CD2 3.42Å; S1304-F1308 PolarHBondContact O-N 3.07Å
1305F92.4Very high89.1Confident86 Ų8633.3 Ų33.338%0.37717%0.167SC..Hα-helixtrans-66-42175.6-84.8-69.7000112.7I1169 T1170 S1173 I1301 A1302 L1303 F1308 Q1309I1169-F1305 HydrophobicContact CG2-CE1 4.08Å; T1170-F1305 HydrophobicContact CG2-CB 3.75Å; T1170-F1305 HydrophobicContact CG2-CD1 3.96Å; T1170-F1305 HydrophobicContact CG2-CG 4.25Å; S1173-F1305 VanDerWaalsContact OG-CD2 3.29Å; S1173-F1305 WeakPolarHBondContact OG-CD2 3.34Å; I1301-F1305 HydrophobicContact CG2-CD2 4.03Å; I1301-F1305 HydrophobicContact CG2-CE2 4.02Å; I1301-F1305 WeakPolarHBondContact O-CD2 3.49Å; I1301-F1305 PolarHBondContact O-N 3.38Å; I1301-F1305 VanDerWaalsContact O-N 3.13Å; A1302-F1305 PolarHBondContact O-N 3.12Å; L1303-F1305 VanDerWaalsContact C-N 3.34Å; L1303-F1305 PolarHBondContact O-N 3.03Å; F1305-F1308 PolarHBondContact O-N 3.21Å; F1305-Q1309 VanDerWaalsContact O-CB 3.32Å; F1305-Q1309 WeakPolarHBondContact O-CB 3.33Å; F1305-Q1309 PolarHBondContact O-N 3.21Å
1306L92.5Very high89.1Confident0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-62.2-44.3178.5-73166000112.2T1174 W1220 L1223 L1224 A1302 L1303 Q1309 I1310T1174-L1306 HydrophobicContact CG2-CD1 4.08Å; T1174-L1306 HydrophobicContact CG2-CD2 4.38Å; T1174-L1306 HydrophobicContact CG2-CG 4.29Å; W1220-L1306 HydrophobicContact CE3-CD2 3.66Å; W1220-L1306 HydrophobicContact CZ3-CD2 3.69Å; L1223-L1306 HydrophobicContact CD2-CD2 3.94Å; L1223-L1306 HydrophobicContact CG-CD1 4.3Å; L1223-L1306 HydrophobicContact CG-CD2 4.04Å; L1224-L1306 HydrophobicContact CD1-CB 4.27Å; A1302-L1306 WeakPolarHBondContact O-CB 3.47Å; A1302-L1306 VanDerWaalsContact O-CG 3.27Å; A1302-L1306 WeakPolarHBondContact O-CG 3.33Å; A1302-L1306 PolarHBondContact O-N 3.23Å; L1303-L1306 PolarHBondContact O-N 3.33Å; L1306-Q1309 PolarHBondContact O-N 2.86Å; L1306-I1310 WeakPolarHBondContact O-CG1 3.28Å; L1306-I1310 PolarHBondContact O-N 3.03Å
1307V90.9Very high89Confident15 Ų1535.2 Ų35.29%0.09117%0.17CC..Hα-helixtrans-59.6-47.5176.5168.80000111.2E999 M1002 L1303 I1310 R1311E999-V1307 HydrophobicContact CB-CG1 4.09Å; E999-V1307 HydrophobicContact CG-CG1 4.07Å; M1002-V1307 HydrophobicContact CE-CG1 3.85Å; L1303-V1307 HydrophobicContact CD1-CG2 4.12Å; L1303-V1307 HydrophobicContact CG-CG2 4.48Å; L1303-V1307 WeakPolarHBondContact O-CG2 3.34Å; L1303-V1307 PolarHBondContact O-N 3.43Å; V1307-I1310 PolarHBondContact O-N 3.16Å; V1307-R1311 PolarHBondContact O-N 3.23Å; V1307-R1311 VanDerWaalsContact O-N 3.1Å
1308F89.6Confident89.1Confident81 Ų8134.2 Ų34.236%0.35516%0.16SC..Hα-helixtrans-66.2-37.1176.3-81.6-63000113F996 E999 I1003 S1304 F1305 R1311 I1312F996-F1308 HydrophobicContact CD1-CE1 4.26Å; E999-F1308 HydrophobicContact CB-CE1 4.43Å; I1003-F1308 HydrophobicContact CD1-CD2 4.2Å; I1003-F1308 HydrophobicContact CD1-CE2 3.58Å; I1003-F1308 HydrophobicContact CD1-CZ 4.29Å; S1304-F1308 VanDerWaalsContact O-CD2 3.3Å; S1304-F1308 WeakPolarHBondContact O-CD2 3.42Å; S1304-F1308 PolarHBondContact O-N 3.07Å; F1305-F1308 PolarHBondContact O-N 3.21Å; F1308-R1311 PolarHBondContact O-N 3.15Å; F1308-I1312 WeakPolarHBondContact O-CG1 3.46Å; F1308-I1312 PolarHBondContact O-N 2.91Å
1309Q90.9Very high89Confident3 Ų329.2 Ų29.21%0.01414%0.138CC..Hα-helixtrans-68.8-36.1179-173.456.654.300112.5G1166 T1170 W1220 F1305 L1306 I1312 F1313G1166-Q1309 PolarHBondContact O-OE1 3.42Å; T1170-Q1309 HydrophobicContact CG2-CB 3.72Å; T1170-Q1309 HydrophobicContact CG2-CG 4.08Å; W1220-Q1309 HydrophobicContact CH2-CG 4.32Å; W1220-Q1309 HydrophobicContact CZ3-CG 4.28Å; F1305-Q1309 VanDerWaalsContact O-CB 3.32Å; F1305-Q1309 WeakPolarHBondContact O-CB 3.33Å; F1305-Q1309 PolarHBondContact O-N 3.21Å; L1306-Q1309 PolarHBondContact O-N 2.86Å; Q1309-I1312 WeakPolarHBondContact O-CB 3.47Å; Q1309-I1312 PolarHBondContact O-N 2.92Å; Q1309-F1313 HydrophobicContact CG-CD2 4.39Å; Q1309-F1313 HydrophobicContact CG-CE2 3.72Å; Q1309-F1313 HydrophobicContact CG-CZ 3.82Å; Q1309-F1313 VanDerWaalsContact O-CD2 3.27Å; Q1309-F1313 WeakPolarHBondContact O-CD2 3.38Å; Q1309-F1313 WeakPolarHBondContact O-CG 3.31Å; Q1309-F1313 PolarHBondContact O-N 3.23Å
1310I88.4Confident88.8Confident27 Ų2730.2 Ų30.214%0.13814%0.143CC..Hα-helixtrans-65.5-43.7171.8-70.3165000110.2L1224 L1306 V1307 I1312 F1313 H1314L1224-I1310 HydrophobicContact CB-CD1 4.25Å; L1224-I1310 HydrophobicContact CD2-CD1 3.71Å; L1224-I1310 HydrophobicContact CG-CD1 4.48Å; L1306-I1310 WeakPolarHBondContact O-CG1 3.28Å; L1306-I1310 PolarHBondContact O-N 3.03Å; V1307-I1310 PolarHBondContact O-N 3.16Å; I1310-I1312 VanDerWaalsContact C-N 3.26Å; I1310-I1312 PolarHBondContact O-N 3.01Å; I1310-F1313 PolarHBondContact O-N 2.86Å; I1310-F1313 VanDerWaalsContact O-N 3.12Å; I1310-H1314 PolarHBondContact O-CD2 2.95Å; I1310-H1314 PolarHBondContact O-N 3.04Å
1311R87.2Confident88.6Confident62 Ų6229.8 Ų29.823%0.23414%0.14CC..Hα-helixtrans-61.7-32.8174.1-170.356.8151.4152.50.5112.7K995 E999 N1127 V1307 F1308 H1314K995-R1311 PolarHBondContact O-NH2 3.47Å; E999-R1311 WeakPolarHBondContact OE1-CD 3.4Å; E999-R1311 WeakPolarHBondContact OE1-CG 3.43Å; E999-R1311 IonicContact OE1-CZ 2.75Å; E999-R1311 IonicContact OE1-NE 2.66Å; E999-R1311 PolarHBondContact OE1-NE 3.49Å; E999-R1311 IonicContact OE1-NH2 2.72Å; N1127-R1311 PolarHBondContact O-NH1 3.32Å; V1307-R1311 PolarHBondContact O-N 3.23Å; V1307-R1311 VanDerWaalsContact O-N 3.1Å; F1308-R1311 PolarHBondContact O-N 3.15Å; R1311-H1314 PolarHBondContact O-N 2.96Å
1312I88.3Confident88.3Confident24 Ų2426 Ų2612%0.12312%0.12CC..Hα-helixtrans-63.7-46.4170.8-80.9165.8000111.7V1162 F1163 F1308 Q1309 I1310 H1314 S1315 F1318V1162-I1312 HydrophobicContact CG1-CD1 3.82Å; V1162-I1312 HydrophobicContact CG1-CG1 4.48Å; F1163-I1312 HydrophobicContact CD1-CG1 4.21Å; F1163-I1312 HydrophobicContact CD1-CG2 4.01Å; F1163-I1312 HydrophobicContact CE1-CG1 4.06Å; F1308-I1312 WeakPolarHBondContact O-CG1 3.46Å; F1308-I1312 PolarHBondContact O-N 2.91Å; Q1309-I1312 WeakPolarHBondContact O-CB 3.47Å; Q1309-I1312 PolarHBondContact O-N 2.92Å; I1310-I1312 VanDerWaalsContact C-N 3.26Å; I1310-I1312 PolarHBondContact O-N 3.01Å; I1312-H1314 PolarHBondContact O-N 3.36Å; I1312-S1315 VanDerWaalsContact O-CB 3.27Å; I1312-S1315 WeakPolarHBondContact O-CB 3.39Å; I1312-S1315 PolarHBondContact O-N 3.1Å; I1312-F1318 HydrophobicContact CG2-CD2 4.24Å
1313F87.2Confident88Confident2 Ų227.1 Ų27.11%0.00913%0.127CC..Hα-helixtrans-63.5-26.1179.1-66.9-41000113.4Y1204 F1213 L1217 W1220 Q1309 I1310 S1315 F1318Y1204-F1313 HydrophobicContact CD1-CE1 4.47Å; Y1204-F1313 AromaticContact CE1-CE1 3.74Å; Y1204-F1313 HydrophobicContact CE1-CE1 3.74Å; Y1204-F1313 AromaticContact CE1-CZ 3.86Å; Y1204-F1313 HydrophobicContact CE1-CZ 3.86Å; F1213-F1313 HydrophobicContact CZ-CB 4.24Å; L1217-F1313 HydrophobicContact CD1-CB 4.45Å; W1220-F1313 HydrophobicContact CB-CE2 4.47Å; W1220-F1313 AromaticContact CD1-CE2 3.59Å; W1220-F1313 AromaticContact CD2-CE2 3.78Å; W1220-F1313 HydrophobicContact CD2-CE2 3.78Å; W1220-F1313 HydrophobicContact CD2-CZ 4.28Å; W1220-F1313 AromaticContact CE2-CE2 3.72Å; W1220-F1313 AromaticContact CE2-CZ 3.73Å; W1220-F1313 AromaticContact CG-CE2 3.72Å; W1220-F1313 HydrophobicContact CG-CE2 3.72Å; W1220-F1313 HydrophobicContact CG-CZ 4.46Å; W1220-F1313 HydrophobicContact CZ2-CE2 4.39Å; W1220-F1313 HydrophobicContact CZ2-CZ 4.09Å; W1220-F1313 AromaticContact NE1-CE2 3.59Å; W1220-F1313 AromaticContact NE1-CZ 3.56Å; Q1309-F1313 HydrophobicContact CG-CD2 4.39Å; Q1309-F1313 HydrophobicContact CG-CE2 3.72Å; Q1309-F1313 HydrophobicContact CG-CZ 3.82Å; Q1309-F1313 VanDerWaalsContact O-CD2 3.27Å; Q1309-F1313 WeakPolarHBondContact O-CD2 3.38Å; Q1309-F1313 WeakPolarHBondContact O-CG 3.31Å; Q1309-F1313 PolarHBondContact O-N 3.23Å; I1310-F1313 PolarHBondContact O-N 2.86Å; I1310-F1313 VanDerWaalsContact O-N 3.12Å; F1313-S1315 VanDerWaalsContact C-N 3.31Å; F1313-F1318 HydrophobicContact CD1-CD1 4.03Å; F1313-F1318 HydrophobicContact CD1-CD2 4.07Å; F1313-F1318 AromaticContact CD1-CE1 3.74Å; F1313-F1318 HydrophobicContact CD1-CE1 3.74Å; F1313-F1318 AromaticContact CD1-CE2 3.78Å; F1313-F1318 HydrophobicContact CD1-CE2 3.78Å; F1313-F1318 HydrophobicContact CD1-CG 4.19Å; F1313-F1318 AromaticContact CD1-CZ 3.61Å; F1313-F1318 HydrophobicContact CD1-CZ 3.61Å; F1313-F1318 HydrophobicContact CE1-CD2 4.4Å; F1313-F1318 HydrophobicContact CE1-CE1 4.18Å; F1313-F1318 AromaticContact CE1-CE2 3.72Å; F1313-F1318 HydrophobicContact CE1-CE2 3.72Å; F1313-F1318 AromaticContact CE1-CZ 3.6Å; F1313-F1318 HydrophobicContact CE1-CZ 3.6Å
1314H82.3Confident87.7Confident45 Ų4527.6 Ų27.621%0.20813%0.129CC..THydrogen-bonded Turntrans-85.110.5173.7-77.3-83.5000114.6I1130 Y1131 I1310 R1311 I1312I1130-H1314 WeakPolarHBondContact CD1-O 3.09Å; Y1131-H1314 AromaticContact CD2-ND1 3.63Å; I1310-H1314 PolarHBondContact O-CD2 2.95Å; I1310-H1314 PolarHBondContact O-N 3.04Å; R1311-H1314 PolarHBondContact O-N 2.96Å; I1312-H1314 PolarHBondContact O-N 3.36Å
1315S83.4Confident87.4Confident31 Ų3126.6 Ų26.622%0.21712%0.122CC..SBendtrans-109.2145.6-174.1-173.30000114.4I1130 I1312 F1313 Y1317 F1318I1130-S1315 VanDerWaalsContact CD1-C 3.42Å; I1312-S1315 VanDerWaalsContact O-CB 3.27Å; I1312-S1315 WeakPolarHBondContact O-CB 3.39Å; I1312-S1315 PolarHBondContact O-N 3.1Å; F1313-S1315 VanDerWaalsContact C-N 3.31Å; S1315-Y1317 PolarHBondContact O-N 2.7Å; S1315-Y1317 VanDerWaalsContact O-N 3.09Å; S1315-F1318 PolarHBondContact O-N 2.93Å
1316W84.4Confident86.9Confident79 Ų7922.6 Ų22.630%0.29910%0.104SC..Hα-helixtrans-60.2-25.5-175.8-71.8104.3000112.9I1130 K1139 N1142 P1143 Q1144I1130-W1316 HydrophobicContact CD1-CB 4.02Å; I1130-W1316 HydrophobicContact CD1-CD2 3.5Å; I1130-W1316 HydrophobicContact CD1-CE3 4.11Å; I1130-W1316 HydrophobicContact CD1-CG 3.42Å; I1130-W1316 VanDerWaalsContact CD1-CG 3.42Å; I1130-W1316 HydrophobicContact CG1-CD2 4Å; I1130-W1316 HydrophobicContact CG1-CG 4.21Å; I1130-W1316 HydrophobicContact CG1-CZ2 4.18Å; I1130-W1316 HydrophobicContact CG2-CE3 4.43Å; I1130-W1316 HydrophobicContact CG2-CH2 4.1Å; I1130-W1316 HydrophobicContact CG2-CZ2 4.17Å; I1130-W1316 HydrophobicContact CG2-CZ3 4.22Å; K1139-W1316 HydrophobicContact CD-CH2 4.11Å; K1139-W1316 HydrophobicContact CD-CZ3 4.35Å; N1142-W1316 PolarHBondContact ND2-O 3.31Å; P1143-W1316 HydrophobicContact CG-CD2 4.12Å; P1143-W1316 HydrophobicContact CG-CE3 4.28Å; P1143-W1316 HydrophobicContact CG-CH2 4.49Å; P1143-W1316 HydrophobicContact CG-CZ2 4.36Å; P1143-W1316 HydrophobicContact CG-CZ3 4.46Å; Q1144-W1316 HydrophobicContact CG-CB 4.29Å
1317Y87.7Confident86.5Confident24 Ų2422.6 Ų22.69%0.09410%0.104CC..Hα-helixtrans-71.8-28.8178.4-60.4-62.9000113.2F977 Q1144 F1147 K1159 F1163 S1315 Q1319 H1320F977-Y1317 WeakPolarHBondContact CZ-OH 3.23Å; Q1144-Y1317 HydrophobicContact CB-CD1 4.25Å; Q1144-Y1317 HydrophobicContact CB-CE1 3.74Å; Q1144-Y1317 VanDerWaalsContact CD-OH 3.3Å; Q1144-Y1317 HydrophobicContact CG-CD1 4.49Å; Q1144-Y1317 HydrophobicContact CG-CE1 3.74Å; Q1144-Y1317 PolarHBondContact OE1-OH 3.15Å; F1147-Y1317 AromaticContact CD1-CD1 3.88Å; F1147-Y1317 HydrophobicContact CD1-CD1 3.88Å; F1147-Y1317 AromaticContact CE1-CD1 3.73Å; F1147-Y1317 HydrophobicContact CE1-CD1 3.73Å; F1147-Y1317 HydrophobicContact CE1-CG 4.19Å; F1147-Y1317 WeakPolarHBondContact CE1-O 3.34Å; F1147-Y1317 WeakPolarHBondContact CZ-O 3.45Å; K1159-Y1317 HydrophobicContact CD-CD1 4.47Å; K1159-Y1317 HydrophobicContact CD-CE1 4.31Å; F1163-Y1317 HydrophobicContact CD2-CD2 4.33Å; F1163-Y1317 HydrophobicContact CD2-CG 4.07Å; F1163-Y1317 HydrophobicContact CE1-CD2 4.19Å; F1163-Y1317 AromaticContact CE2-CD2 3.57Å; F1163-Y1317 HydrophobicContact CE2-CD2 3.57Å; F1163-Y1317 HydrophobicContact CE2-CE2 4.43Å; F1163-Y1317 AromaticContact CE2-CG 3.76Å; F1163-Y1317 HydrophobicContact CE2-CG 3.76Å; F1163-Y1317 AromaticContact CZ-CD2 3.49Å; F1163-Y1317 HydrophobicContact CZ-CD2 3.49Å; F1163-Y1317 VanDerWaalsContact CZ-CD2 3.49Å; F1163-Y1317 HydrophobicContact CZ-CE2 4.41Å; F1163-Y1317 HydrophobicContact CZ-CG 4.03Å; S1315-Y1317 PolarHBondContact O-N 2.7Å; S1315-Y1317 VanDerWaalsContact O-N 3.09Å; Y1317-Q1319 VanDerWaalsContact C-N 3.29Å; Y1317-Q1319 PolarHBondContact O-N 2.78Å; Y1317-H1320 PolarHBondContact O-N 3.4Å
1318F87.6Confident86.1Confident0 Ų022.7 Ų22.70%010%0.104CC..Hα-helixtrans-71-26.1179.4-172.5-100.8000112.5Y1204 F1213 I1312 F1313 S1315 H1320 C1321 M1322Y1204-F1318 HydrophobicContact CD1-CE1 4.43Å; Y1204-F1318 AromaticContact CD1-CZ 3.79Å; Y1204-F1318 HydrophobicContact CD1-CZ 3.79Å; Y1204-F1318 HydrophobicContact CE1-CZ 4.2Å; Y1204-F1318 HydrophobicContact CG-CZ 4.22Å; F1213-F1318 AromaticContact CE2-CE1 3.94Å; F1213-F1318 HydrophobicContact CE2-CE1 3.94Å; F1213-F1318 HydrophobicContact CZ-CE1 4.5Å; I1312-F1318 HydrophobicContact CG2-CD2 4.24Å; F1313-F1318 HydrophobicContact CD1-CD1 4.03Å; F1313-F1318 HydrophobicContact CD1-CD2 4.07Å; F1313-F1318 AromaticContact CD1-CE1 3.74Å; F1313-F1318 HydrophobicContact CD1-CE1 3.74Å; F1313-F1318 AromaticContact CD1-CE2 3.78Å; F1313-F1318 HydrophobicContact CD1-CE2 3.78Å; F1313-F1318 HydrophobicContact CD1-CG 4.19Å; F1313-F1318 AromaticContact CD1-CZ 3.61Å; F1313-F1318 HydrophobicContact CD1-CZ 3.61Å; F1313-F1318 HydrophobicContact CE1-CD2 4.4Å; F1313-F1318 HydrophobicContact CE1-CE1 4.18Å; F1313-F1318 AromaticContact CE1-CE2 3.72Å; F1313-F1318 HydrophobicContact CE1-CE2 3.72Å; F1313-F1318 AromaticContact CE1-CZ 3.6Å; F1313-F1318 HydrophobicContact CE1-CZ 3.6Å; S1315-F1318 PolarHBondContact O-N 2.93Å; F1318-H1320 VanDerWaalsContact C-N 3.3Å; F1318-H1320 PolarHBondContact O-N 2.69Å; F1318-C1321 HydrophobicContact CD2-CB 4.31Å; F1318-C1321 HydrophobicContact CE2-CB 4.41Å; F1318-C1321 WeakPolarHBondContact O-CA 3.31Å; F1318-C1321 WeakPolarHBondContact O-CB 3.33Å; F1318-C1321 PolarHBondContact O-N 3.3Å; F1318-M1322 HydrophobicContact CD1-CG 3.89Å; F1318-M1322 HydrophobicContact CD1-SD 3.88Å; F1318-M1322 HydrophobicContact CE1-CG 3.49Å; F1318-M1322 VanDerWaalsContact CE1-CG 3.49Å; F1318-M1322 HydrophobicContact CE1-SD 3.68Å; F1318-M1322 HydrophobicContact CZ-CG 4.21Å; F1318-M1322 PolarHBondContact O-N 3.49Å; F1318-M1322 VanDerWaalsContact O-N 3.13Å
1319Q85.9Confident85.6Confident10 Ų1021.7 Ų21.75%0.04710%0.104CC..Hα-helixtrans-59.3-39.1177.5-163.9-172.2-65.400112.3I1138 K1139 Y1317 C1321 M1322 V1323I1138-Q1319 HydrophobicContact CG2-CG 3.88Å; K1139-Q1319 PolarHBondContact O-NE2 3.49Å; Y1317-Q1319 VanDerWaalsContact C-N 3.29Å; Y1317-Q1319 PolarHBondContact O-N 2.78Å; Q1319-C1321 VanDerWaalsContact C-N 3.31Å; Q1319-C1321 PolarHBondContact O-N 3.31Å; Q1319-M1322 PolarHBondContact O-N 3.06Å; Q1319-V1323 PolarHBondContact O-N 3.3Å
1320H87.3Confident85.1Confident25 Ų2521.7 Ų21.712%0.11610%0.104CC..Hα-helixtrans-64.2-35.4175-71.1-46.5000112N1142 Q1144 Y1145 F1147 I1148 Y1317 F1318 V1323 E1324N1142-H1320 PolarHBondContact ND2-NE2 2.85Å; Q1144-H1320 PolarHBondContact O-NE2 2.94Å; Y1145-H1320 PolarHBondContact O-NE2 3.36Å; F1147-H1320 HydrophobicContact CE1-CB 4.17Å; F1147-H1320 AromaticContact CE1-CD2 3.99Å; I1148-H1320 HydrophobicContact CD1-CB 4.02Å; Y1317-H1320 PolarHBondContact O-N 3.4Å; F1318-H1320 VanDerWaalsContact C-N 3.3Å; F1318-H1320 PolarHBondContact O-N 2.69Å; H1320-V1323 PolarHBondContact O-N 3.37Å; H1320-E1324 PolarHBondContact O-N 3.28Å; H1320-E1324 VanDerWaalsContact O-N 3.09Å
1321C88.1Confident84.7Confident0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-65.1-37.8174.2-56.20000112I1148 F1318 Q1319 E1324 Y1325I1148-C1321 HydrophobicContact CD1-CB 4.41Å; F1318-C1321 HydrophobicContact CD2-CB 4.31Å; F1318-C1321 HydrophobicContact CE2-CB 4.41Å; F1318-C1321 WeakPolarHBondContact O-CA 3.31Å; F1318-C1321 WeakPolarHBondContact O-CB 3.33Å; F1318-C1321 PolarHBondContact O-N 3.3Å; Q1319-C1321 VanDerWaalsContact C-N 3.31Å; Q1319-C1321 PolarHBondContact O-N 3.31Å; C1321-E1324 PolarHBondContact O-N 2.74Å; C1321-Y1325 HydrophobicContact CB-CE2 4.08Å; C1321-Y1325 WeakPolarHBondContact O-CD2 3.5Å; C1321-Y1325 PolarHBondContact O-N 3.48Å
1322M84.3Confident84.1Confident3 Ų319.5 Ų19.52%0.01510%0.101CC..Hα-helixtrans-65.7-39.1176.7-64.6-179.368.100112.8I1138 M1206 F1213 F1318 Q1319 E1324 Y1325 R1326I1138-M1322 HydrophobicContact CD1-CE 4.44Å; M1206-M1322 HydrophobicContact CE-CE 3.98Å; M1206-M1322 HydrophobicContact CG-CE 3.85Å; M1206-M1322 HydrophobicContact SD-CE 3.69Å; F1213-M1322 HydrophobicContact CD2-CE 3.68Å; F1213-M1322 HydrophobicContact CD2-SD 4.14Å; F1213-M1322 HydrophobicContact CE2-CE 4.2Å; F1213-M1322 HydrophobicContact CE2-SD 4.04Å; F1213-M1322 HydrophobicContact CG-CE 4.28Å; F1318-M1322 HydrophobicContact CD1-CG 3.89Å; F1318-M1322 HydrophobicContact CD1-SD 3.88Å; F1318-M1322 HydrophobicContact CE1-CG 3.49Å; F1318-M1322 VanDerWaalsContact CE1-CG 3.49Å; F1318-M1322 HydrophobicContact CE1-SD 3.68Å; F1318-M1322 HydrophobicContact CZ-CG 4.21Å; F1318-M1322 PolarHBondContact O-N 3.49Å; F1318-M1322 VanDerWaalsContact O-N 3.13Å; Q1319-M1322 PolarHBondContact O-N 3.06Å; M1322-E1324 VanDerWaalsContact C-N 3.31Å; M1322-Y1325 PolarHBondContact O-N 3.09Å; M1322-R1326 WeakPolarHBondContact O-CG 3.38Å; M1322-R1326 PolarHBondContact O-N 3.31Å
1323V85.2Confident83.5Confident24 Ų2421.2 Ų21.215%0.14511%0.111CC..Hα-helixtrans-64.7-38.3173.6176.40000110.7Q1319 H1320 R1326 S1327 K1543 L1550Q1319-V1323 PolarHBondContact O-N 3.3Å; H1320-V1323 PolarHBondContact O-N 3.37Å; V1323-R1326 PolarHBondContact O-N 3.2Å; V1323-S1327 PolarHBondContact O-N 3.5Å; V1323-K1543 HydrophobicContact CG1-CG 4.38Å; V1323-L1550 HydrophobicContact CG1-CB 4.38Å; V1323-L1550 HydrophobicContact CG1-CD1 4.35Å
1324E87.1Confident83.3Confident13 Ų1321.9 Ų21.96%0.06111%0.114CC..Hα-helixtrans-67.4-40.6177-179.563.2173.100113.1I1148 H1320 C1321 M1322 R1326 S1327 E1328 K1539 K1543I1148-E1324 HydrophobicContact CD1-CB 4.26Å; I1148-E1324 HydrophobicContact CG2-CG 4.45Å; H1320-E1324 PolarHBondContact O-N 3.28Å; H1320-E1324 VanDerWaalsContact O-N 3.09Å; C1321-E1324 PolarHBondContact O-N 2.74Å; M1322-E1324 VanDerWaalsContact C-N 3.31Å; E1324-R1326 PolarHBondContact O-N 3.15Å; E1324-S1327 PolarHBondContact O-N 3.01Å; E1324-S1327 VanDerWaalsContact O-N 3.12Å; E1324-S1327 PolarHBondContact O-OG 3.49Å; E1324-S1327 PolarHBondContact OE2-OG 3.34Å; E1324-E1328 PolarHBondContact O-N 3.36Å; E1324-K1539 WeakPolarHBondContact OE1-CD 3.4Å; E1324-K1539 WeakPolarHBondContact OE1-CE 3.48Å; E1324-K1539 IonicContact OE1-NZ 2.8Å; E1324-K1539 PolarHBondContact OE1-NZ 3.02Å; E1324-K1543 VanDerWaalsContact OE2-CE 3.26Å; E1324-K1543 WeakPolarHBondContact OE2-CE 3.17Å; E1324-K1543 IonicContact OE2-NZ 2.66Å
1325Y84Confident83.3Confident4 Ų419.8 Ų19.82%0.01610%0.104CC..Hα-helixtrans-65.2-27.7173.8-57.2-46.9000112.7H1164 H1167 N1201 Y1204 C1321 M1322H1164-Y1325 AromaticContact CE1-CE1 3.39Å; H1164-Y1325 WeakPolarHBondContact CE1-CE1 3.48Å; H1164-Y1325 AromaticContact CE1-CZ 3.83Å; H1164-Y1325 AromaticContact ND1-CE1 3.73Å; H1164-Y1325 AromaticContact ND1-CZ 3.66Å; H1164-Y1325 PolarHBondContact ND1-OH 3.46Å; H1164-Y1325 PolarHBondContact O-OH 3.4Å; H1167-Y1325 PolarHBondContact CE1-OH 3.15Å; H1167-Y1325 VanDerWaalsContact CE1-OH 3.29Å; N1201-Y1325 HydrophobicContact CB-CD1 4.2Å; Y1204-Y1325 HydrophobicContact CD2-CD2 4.28Å; Y1204-Y1325 HydrophobicContact CD2-CE2 4.02Å; Y1204-Y1325 HydrophobicContact CG-CD2 4.31Å; Y1204-Y1325 HydrophobicContact CG-CE2 4.25Å; C1321-Y1325 HydrophobicContact CB-CE2 4.08Å; C1321-Y1325 WeakPolarHBondContact O-CD2 3.5Å; C1321-Y1325 PolarHBondContact O-N 3.48Å; M1322-Y1325 PolarHBondContact O-N 3.09Å
1326R83.7Confident83Confident2 Ų218.4 Ų18.41%0.0089%0.094CC..Hα-helixtrans-72.6-37.1171.3-68.9168.874.987.3-8.6111.8V1205 M1206 M1322 V1323 E1324 I1330 L1550 N1552V1205-R1326 HydrophobicContact CG1-CG 4.45Å; M1206-R1326 PolarHBondContact O-NH1 2.87Å; M1322-R1326 WeakPolarHBondContact O-CG 3.38Å; M1322-R1326 PolarHBondContact O-N 3.31Å; V1323-R1326 PolarHBondContact O-N 3.2Å; E1324-R1326 PolarHBondContact O-N 3.15Å; R1326-I1330 WeakPolarHBondContact O-CG1 3.29Å; R1326-I1330 PolarHBondContact O-N 2.98Å; R1326-L1550 HydrophobicContact CB-CD2 4.47Å; R1326-L1550 PolarHBondContact NE-O 2.94Å; R1326-L1550 PolarHBondContact NH2-O 3.5Å; R1326-N1552 PolarHBondContact NH2-O 3.44Å
1327S84.1Confident82.7Confident0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-62.6-41.7175.592.50000111.7V1323 E1324 I1330 L1331 K1539V1323-S1327 PolarHBondContact O-N 3.5Å; E1324-S1327 PolarHBondContact O-N 3.01Å; E1324-S1327 VanDerWaalsContact O-N 3.12Å; E1324-S1327 PolarHBondContact O-OG 3.49Å; E1324-S1327 PolarHBondContact OE2-OG 3.34Å; S1327-I1330 PolarHBondContact O-N 3.47Å; S1327-L1331 PolarHBondContact O-N 3.34Å; S1327-K1539 WeakPolarHBondContact OG-CE 3.27Å
1328E81.8Confident82.5Confident17 Ų1716 Ų168%0.0799%0.091CC..Hα-helixtrans-61.6-44.8179.3-75.6-171.215700113.2E1324 I1330 L1331 A1332 K1539 K1725E1324-E1328 PolarHBondContact O-N 3.36Å; E1328-I1330 VanDerWaalsContact C-N 3.33Å; E1328-I1330 PolarHBondContact O-N 3.49Å; E1328-L1331 PolarHBondContact O-N 2.89Å; E1328-A1332 WeakPolarHBondContact O-CB 3.05Å; E1328-A1332 PolarHBondContact O-N 3Å; E1328-K1539 IonicContact OE1-NZ 2.66Å; E1328-K1539 PolarHBondContact OE1-NZ 2.74Å; E1328-K1725 VanDerWaalsContact OE1-CE 3.28Å; E1328-K1725 WeakPolarHBondContact OE1-CE 3.32Å; E1328-K1725 WeakPolarHBondContact OE1-CG 3.46Å; E1328-K1725 IonicContact OE1-NZ 3.77Å
1329V78.1Confident82.1Confident60 Ų6019.4 Ų19.436%0.36411%0.105SC..Hα-helixtrans-67.8-32.7-178.7173.90000112.1V1205 A1332 L1557V1205-V1329 HydrophobicContact CG2-CG2 4.08Å; V1329-A1332 WeakPolarHBondContact O-CB 3.44Å; V1329-L1557 HydrophobicContact CB-CD2 3.74Å; V1329-L1557 HydrophobicContact CG1-CD2 3.66Å
1330I80.5Confident81.7Confident3 Ų321.3 Ų21.32%0.01512%0.116CC..Hα-helixtrans-67.6-45.9178-68.2166.7000110.6R1326 S1327 E1328 A1332 L1542 L1550 L1557 I1560 R1561R1326-I1330 WeakPolarHBondContact O-CG1 3.29Å; R1326-I1330 PolarHBondContact O-N 2.98Å; S1327-I1330 PolarHBondContact O-N 3.47Å; E1328-I1330 VanDerWaalsContact C-N 3.33Å; E1328-I1330 PolarHBondContact O-N 3.49Å; I1330-A1332 VanDerWaalsContact C-N 3.32Å; I1330-A1332 PolarHBondContact O-N 3.29Å; I1330-L1542 HydrophobicContact CB-CD2 4.1Å; I1330-L1542 HydrophobicContact CD1-CD2 4.27Å; I1330-L1542 HydrophobicContact CG2-CD2 3.88Å; I1330-L1550 HydrophobicContact CD1-CD2 3.64Å; I1330-L1557 HydrophobicContact CG1-CD2 4.48Å; I1330-I1560 HydrophobicContact CD1-CG2 3.89Å; I1330-R1561 HydrophobicContact CG2-CB 4.38Å; I1330-R1561 HydrophobicContact CG2-CG 4.34Å; I1330-R1561 WeakPolarHBondContact O-CD 3.41Å; I1330-R1561 PolarHBondContact O-NH1 2.97Å
1331L81.6Confident81.4Confident13 Ų1320.7 Ų20.77%0.06811%0.113CC..Hα-helixtrans-85.14.5-175.9-70.2165000114.8S1327 E1328 N1333 R1334 E1538 K1539 L1542S1327-L1331 PolarHBondContact O-N 3.34Å; E1328-L1331 PolarHBondContact O-N 2.89Å; L1331-N1333 PolarHBondContact O-N 2.79Å; L1331-R1334 PolarHBondContact O-N 3.25Å; L1331-E1538 HydrophobicContact CD1-CB 4.41Å; L1331-K1539 HydrophobicContact CD1-CB 4.28Å; L1331-K1539 HydrophobicContact CD1-CG 3.59Å; L1331-L1542 HydrophobicContact CD1-CD2 4.09Å; L1331-L1542 HydrophobicContact CG-CD2 4.22Å
1332A73Confident81Confident30 Ų3020.9 Ų20.925%0.24811%0.114CC..THydrogen-bonded Turntrans-6523.3-170.500000118.2E1328 V1329 I1330 G1727E1328-A1332 WeakPolarHBondContact O-CB 3.05Å; E1328-A1332 PolarHBondContact O-N 3Å; V1329-A1332 WeakPolarHBondContact O-CB 3.44Å; I1330-A1332 VanDerWaalsContact C-N 3.32Å; I1330-A1332 PolarHBondContact O-N 3.29Å; A1332-G1727 VanDerWaalsContact C-CA 3.43Å; A1332-G1727 WeakPolarHBondContact O-CA 3.24Å
1333N76.3Confident80.6Confident61 Ų6122.8 Ų22.833%0.32612%0.124SC..THydrogen-bonded Turntrans-125.3-19166.9-6567.3000112.6L1331 A1336 R1561L1331-N1333 PolarHBondContact O-N 2.79Å; N1333-A1336 WeakPolarHBondContact O-CB 3.37Å; N1333-A1336 PolarHBondContact O-N 2.91Å; N1333-R1561 VanDerWaalsContact CG-NH2 3.33Å; N1333-R1561 VanDerWaalsContact OD1-CZ 3.3Å; N1333-R1561 PolarHBondContact OD1-NH1 2.92Å; N1333-R1561 PolarHBondContact OD1-NH2 2.93Å
1334R82.2Confident80.1Confident16 Ų1622.9 Ų22.96%0.0612%0.123CC..Hα-helixtrans-76.7-34.5-159.5176.352.5173.31690.3113.5L1331 A1336 V1337 L1338 L1535 E1538 V1572L1331-R1334 PolarHBondContact O-N 3.25Å; R1334-A1336 VanDerWaalsContact C-N 3.28Å; R1334-A1336 PolarHBondContact O-N 3.29Å; R1334-V1337 PolarHBondContact O-N 3.41Å; R1334-L1338 HydrophobicContact CG-CD1 4.17Å; R1334-L1338 WeakPolarHBondContact O-CG 3.39Å; R1334-L1338 PolarHBondContact O-N 2.76Å; R1334-L1535 HydrophobicContact CB-CD2 3.94Å; R1334-L1535 HydrophobicContact CG-CD2 3.92Å; R1334-E1538 WeakPolarHBondContact CG-OE2 3.48Å; R1334-E1538 IonicContact CZ-OE1 2.69Å; R1334-E1538 IonicContact NE-OE1 2.96Å; R1334-E1538 PolarHBondContact NE-OE1 2.81Å; R1334-E1538 VanDerWaalsContact NE-OE1 3.08Å; R1334-E1538 IonicContact NE-OE2 2.75Å; R1334-E1538 PolarHBondContact NE-OE2 3.07Å; R1334-E1538 IonicContact NH2-OE1 3.58Å; R1334-E1538 PolarHBondContact NH2-OE1 3.01Å; R1334-V1572 PolarHBondContact NH1-O 2.9Å; R1334-V1572 PolarHBondContact NH2-O 3.03Å
1335G82.5Confident79.8Confident1 Ų123.2 Ų23.21%0.0112%0.124CC..Hα-helixtrans-68.8-23.5174.800000114.1K1339 L1726G1335-K1339 WeakPolarHBondContact O-CB 3.15Å; G1335-K1339 PolarHBondContact O-N 2.86Å; G1335-L1726 CarbonylContact C-O 3.54Å; G1335-L1726 WeakPolarHBondContact CA-O 3.32Å; G1335-L1726 PolarHBondContact N-O 3.23Å
1336A76.6Confident79.4Confident1 Ų124 Ų241%0.00813%0.128CC..Hα-helixtrans-68.1-43.4169.500000111.7N1333 R1334 K1339 N1340 L1726 L1728N1333-A1336 WeakPolarHBondContact O-CB 3.37Å; N1333-A1336 PolarHBondContact O-N 2.91Å; R1334-A1336 VanDerWaalsContact C-N 3.28Å; R1334-A1336 PolarHBondContact O-N 3.29Å; A1336-K1339 PolarHBondContact O-N 3.47Å; A1336-N1340 WeakPolarHBondContact O-CB 3.19Å; A1336-N1340 PolarHBondContact O-N 3.41Å; A1336-N1340 PolarHBondContact O-OD1 2.98Å; A1336-L1726 PolarHBondContact N-O 3.46Å; A1336-L1728 HydrophobicContact CB-CD2 3.86Å
1337V78.2Confident78.9Confident51 Ų5126.1 Ų26.131%0.30914%0.139SC..Hα-helixtrans-61.2-48.5174.4179.60000110.5R1334 K1339 N1340 Q1341 T1737R1334-V1337 PolarHBondContact O-N 3.41Å; V1337-K1339 PolarHBondContact O-N 2.81Å; V1337-N1340 PolarHBondContact O-N 3.07Å; V1337-Q1341 HydrophobicContact CG1-CG 4.46Å; V1337-Q1341 WeakPolarHBondContact O-CB 3.49Å; V1337-Q1341 WeakPolarHBondContact O-CG 3.29Å; V1337-Q1341 PolarHBondContact O-N 2.74Å; V1337-T1737 HydrophobicContact CG1-CG2 4.18Å
1338L84Confident78.6Confident1 Ų130.9 Ų30.91%0.00516%0.159CC..Hα-helixtrans-61.7-39.7179.3-68.1166.6000112.9R1334 L1342 Y1530 V1531 V1534 L1535 V1572R1334-L1338 HydrophobicContact CG-CD1 4.17Å; R1334-L1338 WeakPolarHBondContact O-CG 3.39Å; R1334-L1338 PolarHBondContact O-N 2.76Å; L1338-L1342 PolarHBondContact O-N 3.33Å; L1338-L1342 VanDerWaalsContact O-N 3.15Å; L1338-Y1530 HydrophobicContact CD2-CE1 4.49Å; L1338-V1531 HydrophobicContact CB-CG1 4.46Å; L1338-V1531 HydrophobicContact CB-CG2 3.99Å; L1338-V1531 HydrophobicContact CD1-CG1 4.41Å; L1338-V1534 HydrophobicContact CD1-CB 3.96Å; L1338-V1534 HydrophobicContact CD1-CG1 3.58Å; L1338-V1534 HydrophobicContact CD2-CG1 4.16Å; L1338-L1535 HydrophobicContact CD1-CG 4.5Å; L1338-V1572 HydrophobicContact CD2-CB 3.84Å; L1338-V1572 HydrophobicContact CD2-CG1 4.15Å; L1338-V1572 HydrophobicContact CD2-CG2 4.02Å
1339K80.4Confident78.2Confident72 Ų7232 Ų3231%0.31317%0.165SC..Hα-helixtrans-69.4-39.5175.6177.7156.6175.2147.40112.1G1335 A1336 V1337 L1342 I1343 E1527G1335-K1339 WeakPolarHBondContact O-CB 3.15Å; G1335-K1339 PolarHBondContact O-N 2.86Å; A1336-K1339 PolarHBondContact O-N 3.47Å; V1337-K1339 PolarHBondContact O-N 2.81Å; K1339-L1342 PolarHBondContact O-N 2.84Å; K1339-I1343 HydrophobicContact CG-CD1 3.85Å; K1339-I1343 HydrophobicContact CG-CG1 4.41Å; K1339-I1343 WeakPolarHBondContact O-CG1 3.38Å; K1339-I1343 PolarHBondContact O-N 3.41Å; K1339-E1527 WeakPolarHBondContact CE-OE2 3.38Å; K1339-E1527 IonicContact NZ-OE1 3.95Å; K1339-E1527 IonicContact NZ-OE2 2.74Å; K1339-E1527 PolarHBondContact NZ-OE2 2.96Å
1340N76.2Confident77.9Confident51 Ų5129.5 Ų29.527%0.27315%0.149SC..Hα-helixtrans-64-42.5175.2-74.210.6000111.6A1336 V1337 L1342 I1343 E1344 T1737A1336-N1340 WeakPolarHBondContact O-CB 3.19Å; A1336-N1340 PolarHBondContact O-N 3.41Å; A1336-N1340 PolarHBondContact O-OD1 2.98Å; V1337-N1340 PolarHBondContact O-N 3.07Å; N1340-L1342 VanDerWaalsContact C-N 3.29Å; N1340-L1342 PolarHBondContact O-N 3.36Å; N1340-I1343 PolarHBondContact O-N 2.94Å; N1340-E1344 WeakPolarHBondContact O-CB 3.43Å; N1340-E1344 PolarHBondContact O-N 3.42Å; N1340-T1737 HydrophobicContact CB-CG2 3.72Å
1341Q81.2Confident77.6Confident12 Ų1232 Ų326%0.05616%0.162CC..Hα-helixtrans-57.9-40.4174.7-77177.1-3600112.3V1337 K1345 T1737 F1738V1337-Q1341 HydrophobicContact CG1-CG 4.46Å; V1337-Q1341 WeakPolarHBondContact O-CB 3.49Å; V1337-Q1341 WeakPolarHBondContact O-CG 3.29Å; V1337-Q1341 PolarHBondContact O-N 2.74Å; Q1341-K1345 PolarHBondContact O-N 2.91Å; Q1341-K1345 VanDerWaalsContact O-N 3.13Å; Q1341-T1737 HydrophobicContact CG-CG2 3.57Å; Q1341-T1737 PolarHBondContact NE2-O 3.48Å; Q1341-F1738 HydrophobicContact CB-CE1 4.27Å; Q1341-F1738 HydrophobicContact CB-CE2 4.01Å; Q1341-F1738 HydrophobicContact CB-CZ 3.61Å; Q1341-F1738 HydrophobicContact CG-CE1 4.02Å; Q1341-F1738 HydrophobicContact CG-CE2 4.03Å; Q1341-F1738 HydrophobicContact CG-CZ 3.74Å
1342L80.2Confident77.4Confident4 Ų437.4 Ų37.42%0.02119%0.187CC..Hα-helixtrans-69.9-44.7178-171.360.9000112.4L1338 K1339 N1340 E1344 K1345 E1346 E1527 Y1530 V1578L1338-L1342 PolarHBondContact O-N 3.33Å; L1338-L1342 VanDerWaalsContact O-N 3.15Å; K1339-L1342 PolarHBondContact O-N 2.84Å; N1340-L1342 VanDerWaalsContact C-N 3.29Å; N1340-L1342 PolarHBondContact O-N 3.36Å; L1342-E1344 VanDerWaalsContact C-N 3.3Å; L1342-E1344 PolarHBondContact O-N 3.49Å; L1342-K1345 PolarHBondContact O-N 2.82Å; L1342-E1346 WeakPolarHBondContact O-CG 3.49Å; L1342-E1346 PolarHBondContact O-N 3.24Å; L1342-E1527 HydrophobicContact CD2-CB 3.94Å; L1342-E1527 HydrophobicContact CD2-CG 3.82Å; L1342-Y1530 HydrophobicContact CD2-CD1 4.44Å; L1342-V1578 HydrophobicContact CD1-CG1 4.22Å
1343I75.2Confident77.2Confident42 Ų4239.8 Ų39.822%0.21519%0.193CC..Hα-helixtrans-60.8-39.9175-68.3165.9000111.1K1339 N1340 E1346 M1347 F1821K1339-I1343 HydrophobicContact CG-CD1 3.85Å; K1339-I1343 HydrophobicContact CG-CG1 4.41Å; K1339-I1343 WeakPolarHBondContact O-CG1 3.38Å; K1339-I1343 PolarHBondContact O-N 3.41Å; N1340-I1343 PolarHBondContact O-N 2.94Å; I1343-E1346 PolarHBondContact O-N 2.64Å; I1343-M1347 WeakPolarHBondContact O-CB 3.43Å; I1343-M1347 PolarHBondContact O-N 2.78Å; I1343-F1821 HydrophobicContact CG2-CB 4.46Å
1344E76.1Confident76.8Confident26 Ų2638.7 Ų38.712%0.12119%0.186CC..Hα-helixtrans-67.6-35.5179.1-165.6-170.5143.600112.1N1340 L1342 K1348 T1737 F1738 F1821N1340-E1344 WeakPolarHBondContact O-CB 3.43Å; N1340-E1344 PolarHBondContact O-N 3.42Å; L1342-E1344 VanDerWaalsContact C-N 3.3Å; L1342-E1344 PolarHBondContact O-N 3.49Å; E1344-K1348 WeakPolarHBondContact O-CG 3.44Å; E1344-K1348 PolarHBondContact O-N 2.88Å; E1344-K1348 WeakPolarHBondContact OE1-CE 3.14Å; E1344-K1348 IonicContact OE1-NZ 2.59Å; E1344-K1348 PolarHBondContact OE1-NZ 3.31Å; E1344-T1737 WeakPolarHBondContact OE2-CB 3.16Å; E1344-T1737 PolarHBondContact OE2-OG1 2.87Å; E1344-F1738 HydrophobicContact CB-CE2 4.28Å; E1344-F1821 HydrophobicContact CB-CE1 4.47Å; E1344-F1821 HydrophobicContact CG-CE1 4.34Å
1345K79.9Confident76.5Confident21 Ų2144.9 Ų44.99%0.09121%0.213CC..Hα-helixtrans-63.6-55.1170.7179173.3175.9174.20110.9Q1341 L1342 M1347 K1348 E1349 E1579Q1341-K1345 PolarHBondContact O-N 2.91Å; Q1341-K1345 VanDerWaalsContact O-N 3.13Å; L1342-K1345 PolarHBondContact O-N 2.82Å; K1345-M1347 VanDerWaalsContact C-N 3.28Å; K1345-M1347 PolarHBondContact O-N 3.45Å; K1345-K1348 PolarHBondContact O-N 3.44Å; K1345-K1348 VanDerWaalsContact O-N 3.1Å; K1345-E1349 WeakPolarHBondContact CE-OE1 3.33Å; K1345-E1349 WeakPolarHBondContact CG-OE1 3.48Å; K1345-E1349 IonicContact NZ-OE1 2.56Å; K1345-E1349 PolarHBondContact O-N 2.87Å; K1345-E1349 VanDerWaalsContact O-N 3.12Å; K1345-E1579 IonicContact NZ-OE1 3.4Å; K1345-E1579 PolarHBondContact NZ-OE1 3.27Å
1346E75.3Confident76.2Confident21 Ų2147.6 Ų47.610%0.09824%0.235CC..Hα-helixtrans-59.8-36.3-177.7-69.9-178.2-172.400112.7L1342 I1343 Q1350 R1526L1342-E1346 WeakPolarHBondContact O-CG 3.49Å; L1342-E1346 PolarHBondContact O-N 3.24Å; I1343-E1346 PolarHBondContact O-N 2.64Å; E1346-Q1350 WeakPolarHBondContact O-CB 3.48Å; E1346-Q1350 WeakPolarHBondContact O-CG 3.09Å; E1346-Q1350 PolarHBondContact O-N 2.95Å; E1346-R1526 IonicContact OE1-CZ 3.61Å; E1346-R1526 IonicContact OE1-NE 3.55Å; E1346-R1526 IonicContact OE1-NH2 2.76Å; E1346-R1526 PolarHBondContact OE1-NH2 3.44Å
1347M73.6Confident75.7Confident46 Ų4649.6 Ų49.623%0.22724%0.244CC..Hα-helixtrans-68.1-37.9176.5179.8177.2170.600112.7I1343 K1345 N1351 F1821I1343-M1347 WeakPolarHBondContact O-CB 3.43Å; I1343-M1347 PolarHBondContact O-N 2.78Å; K1345-M1347 VanDerWaalsContact C-N 3.28Å; K1345-M1347 PolarHBondContact O-N 3.45Å; M1347-N1351 VanDerWaalsContact CG-ND2 3.34Å; M1347-N1351 WeakPolarHBondContact CG-ND2 3.39Å; M1347-N1351 WeakPolarHBondContact O-CB 3.45Å; M1347-N1351 PolarHBondContact O-N 2.82Å; M1347-N1351 VanDerWaalsContact O-N 3.11Å; M1347-N1351 PolarHBondContact O-ND2 2.66Å; M1347-F1821 VanDerWaalsContact SD-CA 3.58Å; M1347-F1821 HydrophobicContact SD-CB 3.92Å; M1347-F1821 HydrophobicContact SD-CD1 3.76Å; M1347-F1821 HydrophobicContact SD-CG 4.31Å
1348K77.5Confident75.4Confident99 Ų9952.6 Ų52.643%0.4325%0.253SS..Hα-helixtrans-65.3-49.7176.8-72.5170.4-172.6170.20110.1E1344 K1345 Q1350 N1351 E1352E1344-K1348 WeakPolarHBondContact O-CG 3.44Å; E1344-K1348 PolarHBondContact O-N 2.88Å; E1344-K1348 WeakPolarHBondContact OE1-CE 3.14Å; E1344-K1348 IonicContact OE1-NZ 2.59Å; E1344-K1348 PolarHBondContact OE1-NZ 3.31Å; K1345-K1348 PolarHBondContact O-N 3.44Å; K1345-K1348 VanDerWaalsContact O-N 3.1Å; K1348-Q1350 PolarHBondContact O-N 2.89Å; K1348-N1351 PolarHBondContact O-N 2.8Å; K1348-E1352 WeakPolarHBondContact O-CB 3.04Å; K1348-E1352 WeakPolarHBondContact O-CG 3.3Å; K1348-E1352 PolarHBondContact O-N 3.22Å
1349E74.3Confident75.1Confident42 Ų4257.3 Ų57.320%0.19628%0.278CS..Hα-helixtrans-57-44.5177-67.5172.8176.300112.7K1345 Q1353 V1422K1345-E1349 WeakPolarHBondContact CE-OE1 3.33Å; K1345-E1349 WeakPolarHBondContact CG-OE1 3.48Å; K1345-E1349 IonicContact NZ-OE1 2.56Å; K1345-E1349 PolarHBondContact O-N 2.87Å; K1345-E1349 VanDerWaalsContact O-N 3.12Å; E1349-Q1353 WeakPolarHBondContact O-CB 3.44Å; E1349-Q1353 VanDerWaalsContact O-CG 3.29Å; E1349-Q1353 WeakPolarHBondContact O-CG 3.26Å; E1349-Q1353 PolarHBondContact O-N 2.93Å; E1349-V1422 WeakPolarHBondContact OE2-CG2 3.43Å
1350Q70.4Confident74.8Confident7 Ų756.4 Ų56.43%0.03328%0.277CS..Hα-helixtrans-63.4-44.4176.5-78.2-179.715.800112.7E1346 K1348 Q1353 Q1354 P1420 Y1823E1346-Q1350 WeakPolarHBondContact O-CB 3.48Å; E1346-Q1350 WeakPolarHBondContact O-CG 3.09Å; E1346-Q1350 PolarHBondContact O-N 2.95Å; K1348-Q1350 PolarHBondContact O-N 2.89Å; Q1350-Q1353 PolarHBondContact O-N 2.98Å; Q1350-Q1354 WeakPolarHBondContact O-CB 3.34Å; Q1350-Q1354 WeakPolarHBondContact O-CG 3.35Å; Q1350-Q1354 PolarHBondContact O-N 3.39Å; Q1350-P1420 HydrophobicContact CG-CG 4.02Å; Q1350-Y1823 VanDerWaalsContact NE2-CZ 3.33Å
1351N75.1Confident74.5Confident54 Ų5455.4 Ų55.429%0.28927%0.271SS..Hα-helixtrans-68.5-38-179.6-76.3-55.1000112.1M1347 K1348 K1355M1347-N1351 VanDerWaalsContact CG-ND2 3.34Å; M1347-N1351 WeakPolarHBondContact CG-ND2 3.39Å; M1347-N1351 WeakPolarHBondContact O-CB 3.45Å; M1347-N1351 PolarHBondContact O-N 2.82Å; M1347-N1351 VanDerWaalsContact O-N 3.11Å; M1347-N1351 PolarHBondContact O-ND2 2.66Å; K1348-N1351 PolarHBondContact O-N 2.8Å; N1351-K1355 WeakPolarHBondContact O-CB 3.47Å; N1351-K1355 WeakPolarHBondContact O-CG 3.28Å; N1351-K1355 PolarHBondContact O-N 2.79Å
1352E77.1Confident74.3Confident128 Ų12861.9 Ų61.960%0.59830%0.295SS*.Hα-helixtrans-64.5-44.8173.7-73.8167.9-158.700111.2K1348 Q1354 K1355 A1356K1348-E1352 WeakPolarHBondContact O-CB 3.04Å; K1348-E1352 WeakPolarHBondContact O-CG 3.3Å; K1348-E1352 PolarHBondContact O-N 3.22Å; E1352-Q1354 PolarHBondContact O-N 2.8Å; E1352-K1355 PolarHBondContact O-N 2.88Å; E1352-A1356 VanDerWaalsContact O-CB 3.29Å; E1352-A1356 WeakPolarHBondContact O-CB 3.19Å; E1352-A1356 PolarHBondContact O-N 3.39Å
1353Q69.1Low74.3Confident79 Ų7970.6 Ų70.637%0.36933%0.328SS..Hα-helixtrans-66.8-35.4176.5-73.4-176.312.200113.4E1349 Q1350 K1357E1349-Q1353 WeakPolarHBondContact O-CB 3.44Å; E1349-Q1353 VanDerWaalsContact O-CG 3.29Å; E1349-Q1353 WeakPolarHBondContact O-CG 3.26Å; E1349-Q1353 PolarHBondContact O-N 2.93Å; Q1350-Q1353 PolarHBondContact O-N 2.98Å; Q1353-K1357 VanDerWaalsContact O-CB 3.32Å; Q1353-K1357 WeakPolarHBondContact O-CB 3.15Å; Q1353-K1357 VanDerWaalsContact O-CG 3.28Å; Q1353-K1357 WeakPolarHBondContact O-CG 3.21Å; Q1353-K1357 PolarHBondContact O-N 3.07Å
1354Q67Low74Confident39 Ų3971.6 Ų71.618%0.18233%0.329CS..Hα-helixtrans-68.1-44.4174-75.4-174.39.900111.8Q1350 E1352 A1356 K1357 F1358 I1824Q1350-Q1354 WeakPolarHBondContact O-CB 3.34Å; Q1350-Q1354 WeakPolarHBondContact O-CG 3.35Å; Q1350-Q1354 PolarHBondContact O-N 3.39Å; E1352-Q1354 PolarHBondContact O-N 2.8Å; Q1354-A1356 VanDerWaalsContact C-N 3.33Å; Q1354-A1356 PolarHBondContact O-N 2.79Å; Q1354-K1357 PolarHBondContact O-N 2.97Å; Q1354-F1358 WeakPolarHBondContact O-CB 3.39Å; Q1354-F1358 PolarHBondContact O-N 2.93Å; Q1354-I1824 VanDerWaalsContact NE2-CG2 3.35Å; Q1354-I1824 VanDerWaalsContact OE1-CD1 3.27Å
1355K75.8Confident73.9Confident146 Ų14671 Ų7164%0.63533%0.327SS*.Hα-helixtrans-60.9-41.5173.3-73.2176.1179.2-177.60111.9N1351 E1352 F1358 N1359N1351-K1355 WeakPolarHBondContact O-CB 3.47Å; N1351-K1355 WeakPolarHBondContact O-CG 3.28Å; N1351-K1355 PolarHBondContact O-N 2.79Å; E1352-K1355 PolarHBondContact O-N 2.88Å; K1355-F1358 PolarHBondContact O-N 3.44Å; K1355-N1359 WeakPolarHBondContact O-CB 3.42Å; K1355-N1359 PolarHBondContact O-N 2.99Å; K1355-N1359 PolarHBondContact O-ND2 3.49Å
1356A77.1Confident74Confident57 Ų5773.9 Ų73.947%0.47134%0.341SS..Hα-helixtrans-63.2-48.4175.500000111.8E1352 Q1354 F1358 N1359 D1360E1352-A1356 VanDerWaalsContact O-CB 3.29Å; E1352-A1356 WeakPolarHBondContact O-CB 3.19Å; E1352-A1356 PolarHBondContact O-N 3.39Å; Q1354-A1356 VanDerWaalsContact C-N 3.33Å; Q1354-A1356 PolarHBondContact O-N 2.79Å; A1356-F1358 PolarHBondContact O-N 3.26Å; A1356-N1359 PolarHBondContact O-N 3.49Å; A1356-D1360 VanDerWaalsContact O-CB 3.22Å; A1356-D1360 WeakPolarHBondContact O-CB 3.09Å; A1356-D1360 PolarHBondContact O-N 2.73Å
1357K66.1Low74.2Confident44 Ų4474.3 Ų74.319%0.19135%0.348CS..Hα-helixtrans-63.1-38.6177-73.8177.3178.9-171.80111.9Q1353 Q1354 D1360 I1361 V1415 D1416 S1417Q1353-K1357 VanDerWaalsContact O-CB 3.32Å; Q1353-K1357 WeakPolarHBondContact O-CB 3.15Å; Q1353-K1357 VanDerWaalsContact O-CG 3.28Å; Q1353-K1357 WeakPolarHBondContact O-CG 3.21Å; Q1353-K1357 PolarHBondContact O-N 3.07Å; Q1354-K1357 PolarHBondContact O-N 2.97Å; K1357-D1360 PolarHBondContact O-N 3.38Å; K1357-I1361 WeakPolarHBondContact O-CB 3.42Å; K1357-I1361 WeakPolarHBondContact O-CD1 3.15Å; K1357-I1361 WeakPolarHBondContact O-CG1 3.35Å; K1357-I1361 PolarHBondContact O-N 3.41Å; K1357-V1415 HydrophobicContact CD-CG1 3.84Å; K1357-V1415 VanDerWaalsContact CE-CG1 3.4Å; K1357-V1415 HydrophobicContact CG-CG1 4.45Å; K1357-D1416 PolarHBondContact NZ-O 3Å; K1357-S1417 PolarHBondContact NZ-O 2.88Å
1358F70.9Confident74.1Confident114 Ų11472.7 Ų72.750%0.534%0.34SS..Hα-helixtrans-65.8-47.1175.3-175.3-92000112.2Q1354 K1355 A1356 D1360 I1361 R1362Q1354-F1358 WeakPolarHBondContact O-CB 3.39Å; Q1354-F1358 PolarHBondContact O-N 2.93Å; K1355-F1358 PolarHBondContact O-N 3.44Å; A1356-F1358 PolarHBondContact O-N 3.26Å; F1358-D1360 VanDerWaalsContact C-N 3.32Å; F1358-D1360 PolarHBondContact O-N 3.3Å; F1358-I1361 PolarHBondContact O-N 3Å; F1358-R1362 WeakPolarHBondContact O-CB 3.47Å; F1358-R1362 PolarHBondContact O-N 3.16Å
1359N78.4Confident74.2Confident99 Ų9974.5 Ų74.553%0.52934%0.344SS..Hα-helixtrans-63.1-37.9176.3-71.9-15.1000112K1355 A1356 R1363K1355-N1359 WeakPolarHBondContact O-CB 3.42Å; K1355-N1359 PolarHBondContact O-N 2.99Å; K1355-N1359 PolarHBondContact O-ND2 3.49Å; A1356-N1359 PolarHBondContact O-N 3.49Å; N1359-R1363 WeakPolarHBondContact O-CB 3.46Å; N1359-R1363 PolarHBondContact O-N 3.3Å
1360D74Confident74.6Confident54 Ų5477.7 Ų77.729%0.28936%0.359SS..Hα-helixtrans-65.7-45.9174.1178.834.6000111.6A1356 K1357 F1358 R1362 R1363 R1364A1356-D1360 VanDerWaalsContact O-CB 3.22Å; A1356-D1360 WeakPolarHBondContact O-CB 3.09Å; A1356-D1360 PolarHBondContact O-N 2.73Å; K1357-D1360 PolarHBondContact O-N 3.38Å; F1358-D1360 VanDerWaalsContact C-N 3.32Å; F1358-D1360 PolarHBondContact O-N 3.3Å; D1360-R1362 PolarHBondContact O-N 3.34Å; D1360-R1363 PolarHBondContact O-N 3.31Å; D1360-R1364 WeakPolarHBondContact O-CB 3.4Å; D1360-R1364 WeakPolarHBondContact O-CG 3.39Å; D1360-R1364 PolarHBondContact O-N 3.05Å; D1360-R1364 IonicContact OD1-CZ 3.93Å; D1360-R1364 IonicContact OD1-NE 3.56Å; D1360-R1364 PolarHBondContact OD1-NE 2.73Å; D1360-R1364 IonicContact OD1-NH2 2.74Å; D1360-R1364 PolarHBondContact OD1-NH2 3.49Å; D1360-R1364 IonicContact OD2-CZ 2.7Å; D1360-R1364 IonicContact OD2-NE 3.15Å; D1360-R1364 PolarHBondContact OD2-NE 2.82Å; D1360-R1364 VanDerWaalsContact OD2-NE 3.11Å; D1360-R1364 IonicContact OD2-NH2 2.59Å; D1360-R1364 PolarHBondContact OD2-NH2 2.91Å
1361I69.8Low74.7Confident29 Ų2981.4 Ų81.415%0.14937%0.373CS..Hα-helixtrans-62.2-42.5175.4-73.4162.3000111.9K1357 F1358 R1364 T1365 L1954 L2399K1357-I1361 WeakPolarHBondContact O-CB 3.42Å; K1357-I1361 WeakPolarHBondContact O-CD1 3.15Å; K1357-I1361 WeakPolarHBondContact O-CG1 3.35Å; K1357-I1361 PolarHBondContact O-N 3.41Å; F1358-I1361 PolarHBondContact O-N 3Å; I1361-R1364 PolarHBondContact O-N 3.03Å; I1361-T1365 PolarHBondContact O-N 2.89Å; I1361-T1365 PolarHBondContact O-OG1 3.18Å; I1361-L1954 HydrophobicContact CD1-CD1 3.77Å; I1361-L1954 HydrophobicContact CD1-CD2 3.28Å; I1361-L1954 HydrophobicContact CD1-CG 4.16Å; I1361-L2399 HydrophobicContact CG1-CD1 4.23Å; I1361-L2399 HydrophobicContact CG2-CD1 4.22Å; I1361-L2399 HydrophobicContact CG2-CD2 4.31Å; I1361-L2399 HydrophobicContact CG2-CG 4.04Å
1362R77Confident74.6Confident149 Ų14980 Ų8056%0.56236%0.364SS*.Hα-helixtrans-59.4-53.4173.6177.1174.9174.5166.72.2110.8F1358 D1360 R1364 T1365 E1366F1358-R1362 WeakPolarHBondContact O-CB 3.47Å; F1358-R1362 PolarHBondContact O-N 3.16Å; D1360-R1362 PolarHBondContact O-N 3.34Å; R1362-R1364 VanDerWaalsContact C-N 3.27Å; R1362-R1364 PolarHBondContact O-N 3.27Å; R1362-T1365 WeakPolarHBondContact O-CB 3.33Å; R1362-T1365 PolarHBondContact O-N 2.76Å; R1362-T1365 VanDerWaalsContact O-N 3.11Å; R1362-E1366 WeakPolarHBondContact CG-OE1 3.29Å; R1362-E1366 IonicContact CZ-OE1 3.17Å; R1362-E1366 IonicContact NE-OE1 2.64Å; R1362-E1366 PolarHBondContact NE-OE1 3.47Å; R1362-E1366 IonicContact NH2-OE1 3.55Å; R1362-E1366 PolarHBondContact NH2-OE1 3.38Å; R1362-E1366 WeakPolarHBondContact O-CG 3.48Å; R1362-E1366 PolarHBondContact O-N 3.24Å
1363R79.7Confident74.6Confident187 Ų18778.2 Ų78.271%0.70636%0.355SS*.Hα-helixtrans-58.8-36.1177.5-175.5-178.5-179-164.1-0.4112.4N1359 D1360 A1367N1359-R1363 WeakPolarHBondContact O-CB 3.46Å; N1359-R1363 PolarHBondContact O-N 3.3Å; D1360-R1363 PolarHBondContact O-N 3.31Å; R1363-A1367 WeakPolarHBondContact O-CB 3.31Å; R1363-A1367 PolarHBondContact O-N 3.29Å
1364R69.7Low74.9Confident62 Ų6279.2 Ų79.223%0.23436%0.359CS..Hα-helixtrans-67.6-46.5173.9-74.6171.4-168-155.86.3111.4D1360 I1361 R1362 E1366 A1367 I1368 L2399D1360-R1364 WeakPolarHBondContact O-CB 3.4Å; D1360-R1364 WeakPolarHBondContact O-CG 3.39Å; D1360-R1364 PolarHBondContact O-N 3.05Å; D1360-R1364 IonicContact OD1-CZ 3.93Å; D1360-R1364 IonicContact OD1-NE 3.56Å; D1360-R1364 PolarHBondContact OD1-NE 2.73Å; D1360-R1364 IonicContact OD1-NH2 2.74Å; D1360-R1364 PolarHBondContact OD1-NH2 3.49Å; D1360-R1364 IonicContact OD2-CZ 2.7Å; D1360-R1364 IonicContact OD2-NE 3.15Å; D1360-R1364 PolarHBondContact OD2-NE 2.82Å; D1360-R1364 VanDerWaalsContact OD2-NE 3.11Å; D1360-R1364 IonicContact OD2-NH2 2.59Å; D1360-R1364 PolarHBondContact OD2-NH2 2.91Å; I1361-R1364 PolarHBondContact O-N 3.03Å; R1362-R1364 VanDerWaalsContact C-N 3.27Å; R1362-R1364 PolarHBondContact O-N 3.27Å; R1364-E1366 VanDerWaalsContact C-N 3.34Å; R1364-E1366 PolarHBondContact O-N 2.86Å; R1364-A1367 CarbonylContact O-C 3.56Å; R1364-A1367 PolarHBondContact O-N 3.2Å; R1364-I1368 WeakPolarHBondContact O-CB 3.03Å; R1364-I1368 WeakPolarHBondContact O-CD1 3.21Å; R1364-I1368 WeakPolarHBondContact O-CG1 3.07Å; R1364-I1368 PolarHBondContact O-N 3.4Å; R1364-L2399 HydrophobicContact CB-CD1 4.45Å
1365T75Confident75.1Confident14 Ų1478.6 Ų78.69%0.08636%0.356CS..Hα-helixtrans-58.4-48.4176.6-48.10000110.5I1361 R1362 A1367 I1368 R1369 L2399 A2403I1361-T1365 PolarHBondContact O-N 2.89Å; I1361-T1365 PolarHBondContact O-OG1 3.18Å; R1362-T1365 WeakPolarHBondContact O-CB 3.33Å; R1362-T1365 PolarHBondContact O-N 2.76Å; R1362-T1365 VanDerWaalsContact O-N 3.11Å; T1365-A1367 PolarHBondContact O-N 3.47Å; T1365-I1368 PolarHBondContact O-N 3.11Å; T1365-R1369 WeakPolarHBondContact O-CB 3.05Å; T1365-R1369 PolarHBondContact O-N 2.86Å; T1365-L2399 VanDerWaalsContact OG1-CD2 3.24Å; T1365-L2399 WeakPolarHBondContact OG1-CD2 2.98Å; T1365-A2403 HydrophobicContact CG2-CB 3.96Å
1366E80.7Confident74.7Confident81 Ų8173.6 Ų73.638%0.37934%0.336SS..Hα-helixtrans-59.1-45.7175.3-69.3164.9170.600111R1362 R1364 I1368 R1369 E1370R1362-E1366 WeakPolarHBondContact CG-OE1 3.29Å; R1362-E1366 IonicContact CZ-OE1 3.17Å; R1362-E1366 IonicContact NE-OE1 2.64Å; R1362-E1366 PolarHBondContact NE-OE1 3.47Å; R1362-E1366 IonicContact NH2-OE1 3.55Å; R1362-E1366 PolarHBondContact NH2-OE1 3.38Å; R1362-E1366 WeakPolarHBondContact O-CG 3.48Å; R1362-E1366 PolarHBondContact O-N 3.24Å; R1364-E1366 VanDerWaalsContact C-N 3.34Å; R1364-E1366 PolarHBondContact O-N 2.86Å; E1366-I1368 PolarHBondContact O-N 2.88Å; E1366-R1369 PolarHBondContact O-N 3.46Å; E1366-E1370 PolarHBondContact O-N 3.41Å
1367A79Confident74.6Confident31 Ų3176.3 Ų76.326%0.25634%0.338SS..Hα-helixtrans-73.4-21.6178.100000115.1R1363 R1364 T1365 R1371R1363-A1367 WeakPolarHBondContact O-CB 3.31Å; R1363-A1367 PolarHBondContact O-N 3.29Å; R1364-A1367 CarbonylContact O-C 3.56Å; R1364-A1367 PolarHBondContact O-N 3.2Å; T1365-A1367 PolarHBondContact O-N 3.47Å; A1367-R1371 WeakPolarHBondContact O-CB 3.31Å; A1367-R1371 WeakPolarHBondContact O-CG 3.2Å; A1367-R1371 PolarHBondContact O-N 2.89Å; A1367-R1371 PolarHBondContact O-NE 3.27Å
1368I72.5Confident74.7Confident12 Ų1283.5 Ų83.56%0.06236%0.364CS..Hα-helixtrans-77.3-45.6170.7-66.5158.7000108.6R1364 T1365 E1366 E1370 R1371 Y1372 D2396 L2399 L2408 L2412R1364-I1368 WeakPolarHBondContact O-CB 3.03Å; R1364-I1368 WeakPolarHBondContact O-CD1 3.21Å; R1364-I1368 WeakPolarHBondContact O-CG1 3.07Å; R1364-I1368 PolarHBondContact O-N 3.4Å; T1365-I1368 PolarHBondContact O-N 3.11Å; E1366-I1368 PolarHBondContact O-N 2.88Å; I1368-E1370 PolarHBondContact O-N 3.09Å; I1368-R1371 PolarHBondContact O-N 2.82Å; I1368-R1371 VanDerWaalsContact O-N 3.16Å; I1368-Y1372 WeakPolarHBondContact O-CB 3.46Å; I1368-Y1372 PolarHBondContact O-N 3.14Å; I1368-D2396 HydrophobicContact CD1-CB 4.09Å; I1368-L2399 HydrophobicContact CD1-CD2 4.41Å; I1368-L2408 HydrophobicContact CG2-CD1 4.26Å; I1368-L2408 HydrophobicContact CG2-CD2 3.98Å; I1368-L2408 HydrophobicContact CG2-CG 4.42Å; I1368-L2412 HydrophobicContact CG2-CD1 4.18Å; I1368-L2412 HydrophobicContact CG2-CD2 4.45Å
1369R80.2Confident74.5Confident137 Ų13778.1 Ų78.152%0.51734%0.341SS..Hα-helixtrans-57.8-46.4174.4-170.2-174-73.9169.1-5.6111.3T1365 E1366 Y1372 Q1373 D2405 L2408T1365-R1369 WeakPolarHBondContact O-CB 3.05Å; T1365-R1369 PolarHBondContact O-N 2.86Å; E1366-R1369 PolarHBondContact O-N 3.46Å; R1369-Y1372 PolarHBondContact O-N 2.92Å; R1369-Q1373 VanDerWaalsContact O-CB 3.32Å; R1369-Q1373 WeakPolarHBondContact O-CB 3.35Å; R1369-Q1373 PolarHBondContact O-N 3.37Å; R1369-D2405 IonicContact CZ-OD2 3.52Å; R1369-D2405 VanDerWaalsContact CZ-OD2 3.24Å; R1369-D2405 IonicContact NE-OD2 2.67Å; R1369-D2405 PolarHBondContact NE-OD2 2.71Å; R1369-D2405 IonicContact NH2-OD2 3.33Å; R1369-D2405 PolarHBondContact NH2-OD2 3.01Å; R1369-L2408 HydrophobicContact CB-CD2 4.22Å
1370E81.5Confident73.9Confident108 Ų10876.3 Ų76.351%0.50534%0.34SS..Hα-helixtrans-59.3-45.5172.6-85.8-165.8-138.300113.2E1366 I1368 Y1372 Q1373 K1374E1366-E1370 PolarHBondContact O-N 3.41Å; I1368-E1370 PolarHBondContact O-N 3.09Å; E1370-Y1372 VanDerWaalsContact C-N 3.32Å; E1370-Y1372 PolarHBondContact O-N 3.07Å; E1370-Q1373 PolarHBondContact O-N 3.25Å; E1370-K1374 WeakPolarHBondContact O-CB 3.41Å; E1370-K1374 WeakPolarHBondContact O-CD 3.33Å; E1370-K1374 VanDerWaalsContact O-CG 3.23Å; E1370-K1374 WeakPolarHBondContact O-CG 3.42Å; E1370-K1374 PolarHBondContact O-N 2.81Å; E1370-K1374 IonicContact OE2-NZ 3.41Å; E1370-K1374 PolarHBondContact OE2-NZ 2.88Å
1371R73.4Confident73.5Confident85 Ų8578.6 Ų78.632%0.32137%0.366SS..Hα-helixtrans-63.1-39.8178.4-89.8177.1-78.2-153.9-11.3111.6A1367 I1368 Q1375 D1409A1367-R1371 WeakPolarHBondContact O-CB 3.31Å; A1367-R1371 WeakPolarHBondContact O-CG 3.2Å; A1367-R1371 PolarHBondContact O-N 2.89Å; A1367-R1371 PolarHBondContact O-NE 3.27Å; I1368-R1371 PolarHBondContact O-N 2.82Å; I1368-R1371 VanDerWaalsContact O-N 3.16Å; R1371-Q1375 VanDerWaalsContact O-CG 3.3Å; R1371-Q1375 WeakPolarHBondContact O-CG 3.33Å; R1371-Q1375 PolarHBondContact O-N 3.48Å; R1371-D1409 IonicContact CZ-OD1 3.89Å; R1371-D1409 IonicContact NH1-OD1 3.72Å; R1371-D1409 PolarHBondContact NH1-OD1 3.25Å
1372Y71.6Confident73.1Confident24 Ų2482.1 Ų82.19%0.09438%0.382CS..Hα-helixtrans-70.9-42.4178.6-164-104.5000111.9I1368 R1369 E1370 K1374 Q1375 I1376 M1401 L2408 D2411I1368-Y1372 WeakPolarHBondContact O-CB 3.46Å; I1368-Y1372 PolarHBondContact O-N 3.14Å; R1369-Y1372 PolarHBondContact O-N 2.92Å; E1370-Y1372 VanDerWaalsContact C-N 3.32Å; E1370-Y1372 PolarHBondContact O-N 3.07Å; Y1372-K1374 VanDerWaalsContact C-N 3.33Å; Y1372-K1374 PolarHBondContact O-N 2.87Å; Y1372-Q1375 CarbonylContact O-C 3.6Å; Y1372-Q1375 WeakPolarHBondContact O-CA 3.48Å; Y1372-Q1375 WeakPolarHBondContact O-CB 3.42Å; Y1372-Q1375 PolarHBondContact O-N 2.98Å; Y1372-I1376 HydrophobicContact CD1-CD1 3.58Å; Y1372-I1376 HydrophobicContact CD1-CG1 4.13Å; Y1372-I1376 HydrophobicContact CE1-CD1 3.54Å; Y1372-I1376 HydrophobicContact CE1-CG1 3.84Å; Y1372-I1376 PolarHBondContact O-N 2.59Å; Y1372-M1401 HydrophobicContact CE2-SD 3.98Å; Y1372-L2408 HydrophobicContact CD1-CD1 4.25Å; Y1372-L2408 HydrophobicContact CG-CD1 4.06Å; Y1372-D2411 HydrophobicContact CD1-CB 4.34Å; Y1372-D2411 HydrophobicContact CE1-CB 3.6Å; Y1372-D2411 VanDerWaalsContact CE1-OD2 3.26Å; Y1372-D2411 WeakPolarHBondContact CE1-OD2 3.47Å; Y1372-D2411 HydrophobicContact CE2-CB 4.16Å
1373Q77.7Confident72.2Confident91 Ų9178.7 Ų78.743%0.42537%0.369SS..Hα-helixtrans-58.2-43.6172.7-17659.827.700111.9R1369 E1370 Q1375 I1376 E1377R1369-Q1373 VanDerWaalsContact O-CB 3.32Å; R1369-Q1373 WeakPolarHBondContact O-CB 3.35Å; R1369-Q1373 PolarHBondContact O-N 3.37Å; E1370-Q1373 PolarHBondContact O-N 3.25Å; Q1373-Q1375 VanDerWaalsContact C-N 3.26Å; Q1373-Q1375 PolarHBondContact O-N 3.34Å; Q1373-I1376 WeakPolarHBondContact O-CB 3.49Å; Q1373-I1376 PolarHBondContact O-N 2.68Å; Q1373-E1377 WeakPolarHBondContact CG-OE1 3.13Å; Q1373-E1377 PolarHBondContact NE2-OE1 3.4Å; Q1373-E1377 WeakPolarHBondContact O-CG 3.46Å; Q1373-E1377 PolarHBondContact O-N 3.25Å
1374K76Confident71.3Confident101 Ų10178 Ų7844%0.43938%0.379SS..Hα-helixtrans-68-22.6174.3-68.8161.6-173.81710113.2E1370 Y1372 R1378E1370-K1374 WeakPolarHBondContact O-CB 3.41Å; E1370-K1374 WeakPolarHBondContact O-CD 3.33Å; E1370-K1374 VanDerWaalsContact O-CG 3.23Å; E1370-K1374 WeakPolarHBondContact O-CG 3.42Å; E1370-K1374 PolarHBondContact O-N 2.81Å; E1370-K1374 IonicContact OE2-NZ 3.41Å; E1370-K1374 PolarHBondContact OE2-NZ 2.88Å; Y1372-K1374 VanDerWaalsContact C-N 3.33Å; Y1372-K1374 PolarHBondContact O-N 2.87Å; K1374-R1378 WeakPolarHBondContact O-CB 3.49Å; K1374-R1378 WeakPolarHBondContact O-CD 3.36Å; K1374-R1378 VanDerWaalsContact O-CG 3.23Å; K1374-R1378 WeakPolarHBondContact O-CG 3.34Å; K1374-R1378 PolarHBondContact O-N 2.76Å
1375Q70.9Confident71.2Confident26 Ų2681.1 Ų81.112%0.12140%0.395CS..Hα-helixtrans-80.1-37171.2-75.1168.326.200111.6R1371 Y1372 Q1373 G1379 Y1404R1371-Q1375 VanDerWaalsContact O-CG 3.3Å; R1371-Q1375 WeakPolarHBondContact O-CG 3.33Å; R1371-Q1375 PolarHBondContact O-N 3.48Å; Y1372-Q1375 CarbonylContact O-C 3.6Å; Y1372-Q1375 WeakPolarHBondContact O-CA 3.48Å; Y1372-Q1375 WeakPolarHBondContact O-CB 3.42Å; Y1372-Q1375 PolarHBondContact O-N 2.98Å; Q1373-Q1375 VanDerWaalsContact C-N 3.26Å; Q1373-Q1375 PolarHBondContact O-N 3.34Å; Q1375-G1379 PolarHBondContact O-N 2.91Å; Q1375-Y1404 VanDerWaalsContact NE2-CE1 3.32Å
1376I68.1Low70.9Confident41 Ų4187.7 Ų87.721%0.2142%0.424CS..Hα-helixtrans-57.9-53.2169.4-73.5159000110.3Y1372 Q1373 R1378 G1379 A1380Y1372-I1376 HydrophobicContact CD1-CD1 3.58Å; Y1372-I1376 HydrophobicContact CD1-CG1 4.13Å; Y1372-I1376 HydrophobicContact CE1-CD1 3.54Å; Y1372-I1376 HydrophobicContact CE1-CG1 3.84Å; Y1372-I1376 PolarHBondContact O-N 2.59Å; Q1373-I1376 WeakPolarHBondContact O-CB 3.49Å; Q1373-I1376 PolarHBondContact O-N 2.68Å; I1376-R1378 PolarHBondContact O-N 3.44Å; I1376-G1379 CarbonylContact O-C 3.56Å; I1376-G1379 PolarHBondContact O-N 3.48Å; I1376-G1379 VanDerWaalsContact O-N 3.13Å; I1376-A1380 PolarHBondContact O-N 3.13Å
1377E74.5Confident70.5Confident113 Ų11385.6 Ų85.653%0.52842%0.418SS..Hα-helixtrans-62.5-40.3-176.2-73.1161.9-172.400112.6Q1373 A1380Q1373-E1377 WeakPolarHBondContact CG-OE1 3.13Å; Q1373-E1377 PolarHBondContact NE2-OE1 3.4Å; Q1373-E1377 WeakPolarHBondContact O-CG 3.46Å; Q1373-E1377 PolarHBondContact O-N 3.25Å; E1377-A1380 WeakPolarHBondContact O-CB 3.36Å
1378R68.7Low70.5Confident196 Ų19690.2 Ų90.274%0.7444%0.442SS*.Hα-helixtrans-69.7-34.8174-72173.8-178.2-166.90.6112.8K1374 I1376 A1380K1374-R1378 WeakPolarHBondContact O-CB 3.49Å; K1374-R1378 WeakPolarHBondContact O-CD 3.36Å; K1374-R1378 VanDerWaalsContact O-CG 3.23Å; K1374-R1378 WeakPolarHBondContact O-CG 3.34Å; K1374-R1378 PolarHBondContact O-N 2.76Å; I1376-R1378 PolarHBondContact O-N 3.44Å; R1378-A1380 VanDerWaalsContact C-N 3.34Å
1379G67Low70.9Confident0 Ų092.8 Ų92.80%046%0.459CS..Hα-helixtrans-76.8-16177.500000114.3Q1375 I1376 A1381 E1382 R1383Q1375-G1379 PolarHBondContact O-N 2.91Å; I1376-G1379 CarbonylContact O-C 3.56Å; I1376-G1379 PolarHBondContact O-N 3.48Å; I1376-G1379 VanDerWaalsContact O-N 3.13Å; G1379-A1381 PolarHBondContact O-N 3.12Å; G1379-A1381 VanDerWaalsContact O-N 3.09Å; G1379-E1382 PolarHBondContact O-N 3.14Å; G1379-R1383 WeakPolarHBondContact O-CG 3.49Å; G1379-R1383 PolarHBondContact O-N 2.97Å
1380A64.4Low71.1Confident62 Ų6289 Ų8951%0.51245%0.445SS..G310 helixtrans-59.3-24.1-174.900000114.4I1376 E1377 R1378 E1382I1376-A1380 PolarHBondContact O-N 3.13Å; E1377-A1380 WeakPolarHBondContact O-CB 3.36Å; R1378-A1380 VanDerWaalsContact C-N 3.34Å; A1380-E1382 VanDerWaalsContact C-N 3.33Å
1381A65.7Low71.1Confident101 Ų10185 Ų8584%0.83543%0.432SS*.G310 helixtrans-79.2-10.1174.300000114.4G1379G1379-A1381 PolarHBondContact O-N 3.12Å; G1379-A1381 VanDerWaalsContact O-N 3.09Å
1382E61.8Low71.6Confident104 Ų10484.3 Ų84.349%0.48643%0.433SS..G310 helixtrans-118.111.7179.7-61.8-177.8143.100112G1379 A1380 Y1400 K1403G1379-E1382 PolarHBondContact O-N 3.14Å; A1380-E1382 VanDerWaalsContact C-N 3.33Å; E1382-Y1400 WeakPolarHBondContact OE2-CB 3.35Å; E1382-K1403 IonicContact OE1-NZ 3.31Å; E1382-K1403 PolarHBondContact OE1-NZ 3.21Å; E1382-K1403 IonicContact OE2-NZ 3.54Å; E1382-K1403 PolarHBondContact OE2-NZ 3.2Å
1383R58.6Low72Confident76 Ų7683.4 Ų83.429%0.28743%0.43SS..  trans-106109.6-174.8-81.8177.9175.7-156.7-3.9113.4G1379 Y1400G1379-R1383 WeakPolarHBondContact O-CG 3.49Å; G1379-R1383 PolarHBondContact O-N 2.97Å; R1383-Y1400 HydrophobicContact CG-CE1 4.38Å; R1383-Y1400 PolarHBondContact NE-OH 3.23Å; R1383-Y1400 PolarHBondContact NH2-OH 3.11Å
1384D60.7Low72.3Confident174 Ų17481.9 Ų81.993%0.9342%0.422SS*.SBendtrans-85.8-7.5168.8-71-31.5000114.1
1385F67Low72.5Confident127 Ų12785.8 Ų85.856%0.55743%0.434SS*.  trans-151.5135.3-167-173.1-113.1000113.8H1392F1385-H1392 HydrophobicContact CE1-CB 3.89Å; F1385-H1392 AromaticContact CE1-CG 3.86Å; F1385-H1392 AromaticContact CE1-ND1 3.97Å; F1385-H1392 HydrophobicContact CZ-CB 4.3Å; F1385-H1392 AromaticContact CZ-CE1 3.79Å; F1385-H1392 AromaticContact CZ-CG 3.77Å; F1385-H1392 AromaticContact CZ-ND1 3.48Å; F1385-H1392 WeakPolarHBondContact CZ-ND1 3.17Å
1386E68.9Low72.9Confident151 Ų15186.2 Ų86.271%0.70644%0.442SS*.  trans-109.2130.2177.1-171171-149.500111.8V1388E1386-V1388 PolarHBondContact O-N 3.16Å
1387P71.6Confident73.4Confident38 Ų3884.8 Ų84.825%0.24744%0.438CS..  trans-83.481.9-170.231.6-35.4000114.9T1389 H1392 A1393 A1396P1387-T1389 PolarHBondContact O-N 2.93Å; P1387-T1389 VanDerWaalsContact O-N 3.15Å; P1387-H1392 HydrophobicContact CB-CB 3.7Å; P1387-A1393 VanDerWaalsContact CB-CA 3.49Å; P1387-A1393 HydrophobicContact CB-CB 4.04Å; P1387-A1393 VanDerWaalsContact CB-N 3.34Å; P1387-A1396 HydrophobicContact CB-CB 4.01Å; P1387-A1396 HydrophobicContact CG-CB 4.03Å
1388V79.1Confident73.6Confident127 Ų12782.1 Ų82.177%0.7743%0.427SS*.  trans-65.8-14178.6-172.10000114.8E1386E1386-V1388 PolarHBondContact O-N 3.16Å
1389T82.4Confident74.1Confident67 Ų6778.6 Ų78.641%0.41141%0.414SS..SBendtrans-130.7155.3-178.675.60000111.9P1387 G1391 H1392 A1393P1387-T1389 PolarHBondContact O-N 2.93Å; P1387-T1389 VanDerWaalsContact O-N 3.15Å; T1389-G1391 PolarHBondContact O-N 3.43Å; T1389-G1391 VanDerWaalsContact O-N 3.16Å; T1389-G1391 PolarHBondContact OG1-N 2.99Å; T1389-H1392 CarbonylContact O-C 3.57Å; T1389-H1392 WeakPolarHBondContact O-CA 3.46Å; T1389-H1392 WeakPolarHBondContact O-CB 3.33Å; T1389-H1392 PolarHBondContact O-N 3.49Å; T1389-H1392 PolarHBondContact OG1-CD2 3.15Å; T1389-H1392 VanDerWaalsContact OG1-CD2 3.27Å; T1389-H1392 PolarHBondContact OG1-N 3.02Å; T1389-A1393 PolarHBondContact O-N 3.36Å
1390Y82.7Confident74.7Confident58 Ų5879.9 Ų79.923%0.22742%0.419CS..Hα-helixtrans-50.5-40.4172.8176.1-97.8000112.5H1392 A1393 K1394 P1998 D2001 Q2410Y1390-H1392 VanDerWaalsContact C-N 3.25Å; Y1390-H1392 PolarHBondContact O-N 2.84Å; Y1390-A1393 PolarHBondContact O-N 3.2Å; Y1390-K1394 HydrophobicContact CE1-CD 4.05Å; Y1390-K1394 VanDerWaalsContact O-CB 3.25Å; Y1390-K1394 WeakPolarHBondContact O-CB 3.4Å; Y1390-K1394 PolarHBondContact O-N 3.07Å; Y1390-P1998 HydrophobicContact CD1-CG 4.41Å; Y1390-P1998 HydrophobicContact CE1-CG 3.6Å; Y1390-P1998 WeakPolarHBondContact OH-CD 3.15Å; Y1390-D2001 WeakPolarHBondContact OH-CB 3.38Å; Y1390-D2001 VanDerWaalsContact OH-CG 3.28Å; Y1390-D2001 PolarHBondContact OH-OD2 3.19Å; Y1390-Q2410 HydrophobicContact CD2-CG 3.93Å; Y1390-Q2410 HydrophobicContact CE2-CG 4.06Å
1391G82Confident75.2Confident22 Ų2277 Ų7723%0.22740%0.395CS..Hα-helixtrans-67.1-23.6176.900000114T1389 R1395T1389-G1391 PolarHBondContact O-N 3.43Å; T1389-G1391 VanDerWaalsContact O-N 3.16Å; T1389-G1391 PolarHBondContact OG1-N 2.99Å; G1391-R1395 WeakPolarHBondContact O-CD 3.3Å; G1391-R1395 WeakPolarHBondContact O-CG 3.4Å; G1391-R1395 PolarHBondContact O-NH1 3.33Å
1392H84Confident75.7Confident72 Ų7273.1 Ų73.133%0.33336%0.36SS..Hα-helixtrans-83.2-48.3170.8-60.2173.6000110.6F1385 P1387 T1389 Y1390 K1394 R1395 A1396F1385-H1392 HydrophobicContact CE1-CB 3.89Å; F1385-H1392 AromaticContact CE1-CG 3.86Å; F1385-H1392 AromaticContact CE1-ND1 3.97Å; F1385-H1392 HydrophobicContact CZ-CB 4.3Å; F1385-H1392 AromaticContact CZ-CE1 3.79Å; F1385-H1392 AromaticContact CZ-CG 3.77Å; F1385-H1392 AromaticContact CZ-ND1 3.48Å; F1385-H1392 WeakPolarHBondContact CZ-ND1 3.17Å; P1387-H1392 HydrophobicContact CB-CB 3.7Å; T1389-H1392 CarbonylContact O-C 3.57Å; T1389-H1392 WeakPolarHBondContact O-CA 3.46Å; T1389-H1392 WeakPolarHBondContact O-CB 3.33Å; T1389-H1392 PolarHBondContact O-N 3.49Å; T1389-H1392 PolarHBondContact OG1-CD2 3.15Å; T1389-H1392 VanDerWaalsContact OG1-CD2 3.27Å; T1389-H1392 PolarHBondContact OG1-N 3.02Å; Y1390-H1392 VanDerWaalsContact C-N 3.25Å; Y1390-H1392 PolarHBondContact O-N 2.84Å; H1392-K1394 PolarHBondContact O-N 2.9Å; H1392-R1395 CarbonylContact O-C 3.52Å; H1392-R1395 WeakPolarHBondContact O-CA 3.39Å; H1392-R1395 PolarHBondContact O-N 3.43Å; H1392-A1396 WeakPolarHBondContact O-CB 3.39Å; H1392-A1396 PolarHBondContact O-N 3.05Å
1393A80.1Confident76.1Confident5 Ų574.2 Ų74.24%0.04136%0.363CS..Hα-helixtrans-56.1-49.9-178.200000111.5P1387 T1389 Y1390 R1395 A1396 A2414P1387-A1393 VanDerWaalsContact CB-CA 3.49Å; P1387-A1393 HydrophobicContact CB-CB 4.04Å; P1387-A1393 VanDerWaalsContact CB-N 3.34Å; T1389-A1393 PolarHBondContact O-N 3.36Å; Y1390-A1393 PolarHBondContact O-N 3.2Å; A1393-R1395 PolarHBondContact O-N 3.03Å; A1393-A1396 PolarHBondContact O-N 3.13Å; A1393-A2414 VanDerWaalsContact O-CB 3.22Å; A1393-A2414 WeakPolarHBondContact O-CB 3.4Å
1394K83.3Confident76.7Confident59 Ų5973 Ų7326%0.25736%0.359SS..THydrogen-bonded Turntrans-52.4-23.1173.1-176.7177.8-178.6178.90114.5Y1390 H1392 D2001 I2417Y1390-K1394 HydrophobicContact CE1-CD 4.05Å; Y1390-K1394 VanDerWaalsContact O-CB 3.25Å; Y1390-K1394 WeakPolarHBondContact O-CB 3.4Å; Y1390-K1394 PolarHBondContact O-N 3.07Å; H1392-K1394 PolarHBondContact O-N 2.9Å; K1394-D2001 WeakPolarHBondContact CE-OD1 3.21Å; K1394-D2001 WeakPolarHBondContact CE-OD2 3.5Å; K1394-D2001 IonicContact NZ-OD1 3.25Å; K1394-D2001 PolarHBondContact NZ-OD1 3.41Å; K1394-D2001 IonicContact NZ-OD2 2.64Å; K1394-D2001 PolarHBondContact NZ-OD2 3.45Å; K1394-I2417 HydrophobicContact CD-CD1 4.49Å; K1394-I2417 HydrophobicContact CG-CD1 3.98Å
1395R82.1Confident77Confident183 Ų18368.9 Ų68.969%0.69134%0.336SS*.THydrogen-bonded Turntrans-108.2-6.6-178.7-65.7-177.8176.297.1-9.1114G1391 H1392 A1393 G1397G1391-R1395 WeakPolarHBondContact O-CD 3.3Å; G1391-R1395 WeakPolarHBondContact O-CG 3.4Å; G1391-R1395 PolarHBondContact O-NH1 3.33Å; H1392-R1395 CarbonylContact O-C 3.52Å; H1392-R1395 WeakPolarHBondContact O-CA 3.39Å; H1392-R1395 PolarHBondContact O-N 3.43Å; A1393-R1395 PolarHBondContact O-N 3.03Å; R1395-G1397 VanDerWaalsContact C-N 3.31Å; R1395-G1397 PolarHBondContact O-N 3.13Å
1396A79Confident76.9Confident34 Ų3464 Ų6428%0.28132%0.318SS..  trans-85.33.1-173.400000114.6P1387 H1392 A1393P1387-A1396 HydrophobicContact CB-CB 4.01Å; P1387-A1396 HydrophobicContact CG-CB 4.03Å; H1392-A1396 WeakPolarHBondContact O-CB 3.39Å; H1392-A1396 PolarHBondContact O-N 3.05Å; A1393-A1396 PolarHBondContact O-N 3.13Å
1397G77.7Confident76.5Confident12 Ų1261.5 Ų61.512%0.12431%0.306CS..  trans-67.3136.2171.300000111.6R1395 M1401 F2418R1395-G1397 VanDerWaalsContact C-N 3.31Å; R1395-G1397 PolarHBondContact O-N 3.13Å; G1397-M1401 VanDerWaalsContact CA-CE 3.46Å; G1397-F2418 WeakPolarHBondContact O-CD2 3.4Å; G1397-F2418 WeakPolarHBondContact O-CE2 3.44Å
1398D79Confident76.3Confident56 Ų5665.8 Ų65.830%0.29933%0.327SS..  trans-152.6168.4-177.6-179.245.6000111.5Y1400 M1401 F1402D1398-Y1400 VanDerWaalsContact C-N 3.3Å; D1398-Y1400 HydrophobicContact CB-CD1 3.94Å; D1398-Y1400 HydrophobicContact CB-CE1 3.77Å; D1398-Y1400 PolarHBondContact O-N 3.48Å; D1398-Y1400 WeakPolarHBondContact OD2-CD1 3.24Å; D1398-M1401 WeakPolarHBondContact O-CB 3.34Å; D1398-M1401 PolarHBondContact O-N 3.42Å; D1398-F1402 WeakPolarHBondContact O-CD2 3.09Å; D1398-F1402 WeakPolarHBondContact O-CE2 3.43Å
1399Y80.1Confident75.4Confident123 Ų12360.6 Ų60.648%0.48230%0.295SS..G310 helixtrans-55.1-33.5-173.2-66.2-82.3000114.9M1401 F1402 K1403 F2418 T2425Y1399-M1401 PolarHBondContact O-N 3Å; Y1399-M1401 VanDerWaalsContact O-N 3.13Å; Y1399-F1402 PolarHBondContact O-N 3.41Å; Y1399-K1403 PolarHBondContact O-N 3.42Å; Y1399-F2418 HydrophobicContact CD1-CE1 4.16Å; Y1399-F2418 HydrophobicContact CD1-CZ 4.12Å; Y1399-F2418 AromaticContact CD2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CD2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CE1-CE1 4.31Å; Y1399-F2418 HydrophobicContact CE1-CZ 4.12Å; Y1399-F2418 AromaticContact CE2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CE2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CG-CE1 4.34Å; Y1399-F2418 AromaticContact CG-CZ 4Å; Y1399-F2418 HydrophobicContact CG-CZ 4Å; Y1399-T2425 HydrophobicContact CD1-CG2 3.78Å; Y1399-T2425 HydrophobicContact CE1-CG2 3.98Å
1400Y79.2Confident74.2Confident26 Ų2663.8 Ų63.810%0.10231%0.309CS..G310 helixtrans-57.8-30.1-179.370.7-97.5000113.1E1382 R1383 D1398 F1402 K1403E1382-Y1400 WeakPolarHBondContact OE2-CB 3.35Å; R1383-Y1400 HydrophobicContact CG-CE1 4.38Å; R1383-Y1400 PolarHBondContact NE-OH 3.23Å; R1383-Y1400 PolarHBondContact NH2-OH 3.11Å; D1398-Y1400 VanDerWaalsContact C-N 3.3Å; D1398-Y1400 HydrophobicContact CB-CD1 3.94Å; D1398-Y1400 HydrophobicContact CB-CE1 3.77Å; D1398-Y1400 PolarHBondContact O-N 3.48Å; D1398-Y1400 WeakPolarHBondContact OD2-CD1 3.24Å; Y1400-F1402 PolarHBondContact O-N 2.89Å; Y1400-F1402 VanDerWaalsContact O-N 3.1Å; Y1400-K1403 PolarHBondContact O-N 2.93Å
1401M74.2Confident72.8Confident1 Ų165 Ų651%0.00532%0.32CS..G310 helixtrans-68.4-6.2178.8-171.1166.248.300113.8Y1372 G1397 D1398 Y1399 Y1404 K2415Y1372-M1401 HydrophobicContact CE2-SD 3.98Å; G1397-M1401 VanDerWaalsContact CA-CE 3.46Å; D1398-M1401 WeakPolarHBondContact O-CB 3.34Å; D1398-M1401 PolarHBondContact O-N 3.42Å; Y1399-M1401 PolarHBondContact O-N 3Å; Y1399-M1401 VanDerWaalsContact O-N 3.13Å; M1401-Y1404 WeakPolarHBondContact O-CE1 3.48Å; M1401-K2415 HydrophobicContact CE-CB 3.78Å; M1401-K2415 HydrophobicContact CE-CG 3.89Å; M1401-K2415 HydrophobicContact CG-CB 4.47Å; M1401-K2415 HydrophobicContact CG-CD 3.7Å; M1401-K2415 HydrophobicContact CG-CG 3.87Å; M1401-K2415 WeakPolarHBondContact O-CE 3.41Å; M1401-K2415 HydrophobicContact SD-CB 3.61Å; M1401-K2415 HydrophobicContact SD-CD 3.86Å; M1401-K2415 HydrophobicContact SD-CG 3.68Å
1402F75.7Confident71.3Confident21 Ų2166.5 Ų66.59%0.09232%0.324CS..G310 helixtrans-123.41.1177.9-49-86.5000112.9D1398 Y1399 Y1400 Y1404 K2415 F2418 L2419D1398-F1402 WeakPolarHBondContact O-CD2 3.09Å; D1398-F1402 WeakPolarHBondContact O-CE2 3.43Å; Y1399-F1402 PolarHBondContact O-N 3.41Å; Y1400-F1402 PolarHBondContact O-N 2.89Å; Y1400-F1402 VanDerWaalsContact O-N 3.1Å; F1402-Y1404 PolarHBondContact O-N 3.35Å; F1402-K2415 HydrophobicContact CE1-CD 4.47Å; F1402-K2415 HydrophobicContact CE1-CG 3.68Å; F1402-K2415 HydrophobicContact CZ-CG 3.66Å; F1402-K2415 WeakPolarHBondContact CZ-O 3.44Å; F1402-F2418 HydrophobicContact CD2-CD1 4.03Å; F1402-F2418 HydrophobicContact CD2-CE1 4.16Å; F1402-F2418 HydrophobicContact CE2-CB 4.34Å; F1402-F2418 AromaticContact CE2-CD1 3.26Å; F1402-F2418 HydrophobicContact CE2-CD1 3.26Å; F1402-F2418 AromaticContact CE2-CE1 3.83Å; F1402-F2418 HydrophobicContact CE2-CE1 3.83Å; F1402-F2418 HydrophobicContact CE2-CG 4.08Å; F1402-F2418 HydrophobicContact CZ-CB 4.35Å; F1402-F2418 AromaticContact CZ-CD1 3.87Å; F1402-F2418 HydrophobicContact CZ-CD1 3.87Å; F1402-L2419 HydrophobicContact CD1-CD1 4.06Å; F1402-L2419 HydrophobicContact CE1-CB 3.89Å; F1402-L2419 HydrophobicContact CE1-CD1 3.72Å; F1402-L2419 HydrophobicContact CE1-CG 4.25Å; F1402-L2419 HydrophobicContact CZ-CB 4.06Å
1403K70.3Confident69.7Low127 Ų12771 Ų7155%0.55235%0.345SS*.  trans-74.748.2175.2-66.7178.3-171.4167.60112.1E1382 Y1399 Y1400E1382-K1403 IonicContact OE1-NZ 3.31Å; E1382-K1403 PolarHBondContact OE1-NZ 3.21Å; E1382-K1403 IonicContact OE2-NZ 3.54Å; E1382-K1403 PolarHBondContact OE2-NZ 3.2Å; Y1399-K1403 PolarHBondContact O-N 3.42Å; Y1400-K1403 PolarHBondContact O-N 2.93Å
1404Y72.8Confident68.1Low50 Ų5073.5 Ų73.520%0.19636%0.361CS..SBendtrans-146.9148.9174.276.3-88.1000111Q1375 M1401 F1402 P1406 D1409 K2415Q1375-Y1404 VanDerWaalsContact NE2-CE1 3.32Å; M1401-Y1404 WeakPolarHBondContact O-CE1 3.48Å; F1402-Y1404 PolarHBondContact O-N 3.35Å; Y1404-P1406 WeakPolarHBondContact O-CD 3.49Å; Y1404-D1409 HydrophobicContact CE2-CB 4.24Å; Y1404-D1409 VanDerWaalsContact CE2-OD2 3.24Å; Y1404-D1409 WeakPolarHBondContact CE2-OD2 3.32Å; Y1404-D1409 PolarHBondContact OH-OD2 3.45Å; Y1404-K2415 PolarHBondContact OH-NZ 2.83Å; Y1404-K2415 VanDerWaalsContact OH-NZ 3.09Å
1405D66.8Low66.2Low87 Ų8774.1 Ų74.147%0.46537%0.37SS..  trans-75.5117.8-176.9-175.8-18.8000110.7E1407 N1408D1405-E1407 PolarHBondContact O-N 3.27Å; D1405-E1407 PolarHBondContact OD1-N 2.76Å; D1405-N1408 PolarHBondContact O-N 2.9Å; D1405-N1408 PolarHBondContact O-ND2 3.28Å
1406P65.2Low64.3Low25 Ų2571.7 Ų71.716%0.16237%0.37CS..G310 helixtrans-67.6-13-17728.3-35.2000114.1Y1404 N1408 D1409Y1404-P1406 WeakPolarHBondContact O-CD 3.49Å; P1406-N1408 VanDerWaalsContact C-N 3.27Å; P1406-N1408 PolarHBondContact O-N 2.94Å; P1406-D1409 WeakPolarHBondContact O-CB 3.45Å; P1406-D1409 PolarHBondContact O-N 3.13Å
1407E60.2Low62.7Low99 Ų9972.9 Ų72.946%0.46338%0.377SS..G310 helixtrans-72.3-19.5175.5-58.3-151.8100.200112.6D1405 D1409 S2433D1405-E1407 PolarHBondContact O-N 3.27Å; D1405-E1407 PolarHBondContact OD1-N 2.76Å; E1407-D1409 PolarHBondContact O-N 2.85Å; E1407-S2433 VanDerWaalsContact CD-OG 3.3Å; E1407-S2433 WeakPolarHBondContact OE1-CB 3.26Å; E1407-S2433 PolarHBondContact OE1-OG 3.24Å; E1407-S2433 VanDerWaalsContact OE2-CB 3.26Å; E1407-S2433 WeakPolarHBondContact OE2-CB 3.33Å; E1407-S2433 PolarHBondContact OE2-OG 3.23Å
1408N65.9Low61.1Low128 Ų12875 Ų7568%0.68438%0.382SS*.G310 helixtrans-78.2-5.6171.4-63.5-72.5000113.3D1405 P1406 D1410D1405-N1408 PolarHBondContact O-N 2.9Å; D1405-N1408 PolarHBondContact O-ND2 3.28Å; P1406-N1408 VanDerWaalsContact C-N 3.27Å; P1406-N1408 PolarHBondContact O-N 2.94Å; N1408-D1410 PolarHBondContact O-N 2.92Å
1409D60.5Low59.5Low17 Ų1774.5 Ų74.59%0.09138%0.381CS..SBendtrans-102.874-170.9-142.3-11.6000108.9R1371 Y1404 P1406 E1407 L1411 K2392R1371-D1409 IonicContact CZ-OD1 3.89Å; R1371-D1409 IonicContact NH1-OD1 3.72Å; R1371-D1409 PolarHBondContact NH1-OD1 3.25Å; Y1404-D1409 HydrophobicContact CE2-CB 4.24Å; Y1404-D1409 VanDerWaalsContact CE2-OD2 3.24Å; Y1404-D1409 WeakPolarHBondContact CE2-OD2 3.32Å; Y1404-D1409 PolarHBondContact OH-OD2 3.45Å; P1406-D1409 WeakPolarHBondContact O-CB 3.45Å; P1406-D1409 PolarHBondContact O-N 3.13Å; E1407-D1409 PolarHBondContact O-N 2.85Å; D1409-L1411 PolarHBondContact O-N 2.97Å; D1409-K2392 PolarHBondContact O-NZ 3.32Å; D1409-K2392 IonicContact OD1-NZ 3.39Å; D1409-K2392 PolarHBondContact OD1-NZ 2.97Å
1410D57.1Low57.6Low134 Ų13469.6 Ų69.672%0.71737%0.365SS*.  trans-26.6118-173.7-78.7-40.6000113.4N1408 V1412 K2392N1408-D1410 PolarHBondContact O-N 2.92Å; D1410-V1412 PolarHBondContact O-N 3.36Å; D1410-V1412 VanDerWaalsContact O-N 3.17Å; D1410-K2392 PolarHBondContact O-NZ 3.42Å
1411L52.8Low56Low85 Ų8573.6 Ų73.645%0.44538%0.384SS..  trans-69.3113.1179.6-72.9176.8000109D1409 E1413 D2388D1409-L1411 PolarHBondContact O-N 2.97Å; L1411-E1413 PolarHBondContact O-N 3.01Å; L1411-E1413 VanDerWaalsContact O-N 3.07Å; L1411-D2388 HydrophobicContact CD2-CB 3.93Å
1412V51.8Low54.7Low53 Ų5374.9 Ų74.932%0.32139%0.392SS..  trans-64.8108.7175.7170.30000108.7D1410D1410-V1412 PolarHBondContact O-N 3.36Å; D1410-V1412 VanDerWaalsContact O-N 3.17Å
1413E49.4Very low53.5Low167 Ų16776.1 Ų76.178%0.7840%0.4SS*.  trans-56.2135.9162.9-66.2-171.5155.600108.5L1411 V1415L1411-E1413 PolarHBondContact O-N 3.01Å; L1411-E1413 VanDerWaalsContact O-N 3.07Å; E1413-V1415 PolarHBondContact O-N 3.01Å
1414P48.1Very low52.4Low57 Ų5774.6 Ų74.637%0.3740%0.403SS..  trans-57.7128.6177.327.6-35.5000108.2D1416 Y1964P1414-D1416 VanDerWaalsContact C-N 3.33Å; P1414-D1416 PolarHBondContact O-N 3.32Å; P1414-Y1964 HydrophobicContact CB-CE2 4.14Å; P1414-Y1964 HydrophobicContact CG-CE2 3.98Å
1415V41.9Very low51.1Low72 Ų7281.8 Ų81.844%0.43644%0.435SS..  trans-68.996.7-178.3178.40000108.5K1357 E1413K1357-V1415 HydrophobicContact CD-CG1 3.84Å; K1357-V1415 VanDerWaalsContact CE-CG1 3.4Å; K1357-V1415 HydrophobicContact CG-CG1 4.45Å; E1413-V1415 PolarHBondContact O-N 3.01Å
1416D43.5Very low50.2Low131 Ų13179.5 Ų79.570%0.70143%0.428SS*.  trans-56.5155.4173.8-97.2-34.5000110.7K1357 P1414K1357-D1416 PolarHBondContact NZ-O 3Å; P1414-D1416 VanDerWaalsContact C-N 3.33Å; P1414-D1416 PolarHBondContact O-N 3.32Å
1417S45.5Very low49.5Very low60 Ų6080.1 Ų80.142%0.4243%0.432SS..  trans-52.8162.6-144.885.20000116.6K1357 V1419K1357-S1417 PolarHBondContact NZ-O 2.88Å; S1417-V1419 PolarHBondContact O-N 3.39Å; S1417-V1419 PolarHBondContact OG-N 2.69Å; S1417-V1419 PolarHBondContact OG-O 3.44Å; S1417-V1419 VanDerWaalsContact OG-O 3.07Å
1418F42.9Very low49.3Very low56 Ų5677.9 Ų77.925%0.24643%0.43CS..SBendtrans-62.9-2.1172.2-65.2-80.8000114.5L1954F1418-L1954 HydrophobicContact CE1-CB 4.15Å; F1418-L1954 HydrophobicContact CE1-CD2 4.24Å; F1418-L1954 HydrophobicContact CZ-CB 4.18Å; F1418-L1954 HydrophobicContact CZ-CD2 4.05Å
1419V46.7Very low49.2Very low45 Ų4573.8 Ų73.827%0.27341%0.405SS..SBendtrans-108.4118.8173.5-178.30000108.9S1417 E1421S1417-V1419 PolarHBondContact O-N 3.39Å; S1417-V1419 PolarHBondContact OG-N 2.69Å; S1417-V1419 PolarHBondContact OG-O 3.44Å; S1417-V1419 VanDerWaalsContact OG-O 3.07Å; V1419-E1421 PolarHBondContact O-N 3.4Å
1420P39.7Very low49.4Very low21 Ų2178.7 Ų78.714%0.13643%0.431CS..  trans-63.7123172.721.4-30.2000111.7Q1350 V1422Q1350-P1420 HydrophobicContact CG-CG 4.02Å; P1420-V1422 HydrophobicContact CB-CG2 4.17Å; P1420-V1422 HydrophobicContact CG-CG2 4.44Å; P1420-V1422 PolarHBondContact O-N 3.01Å
1421E44.4Very low49.9Very low109 Ų10976.6 Ų76.651%0.50941%0.413SS..  trans-77.376.5162-63.8-148177.300109.7V1419 D1423 P1424 K1523V1419-E1421 PolarHBondContact O-N 3.4Å; E1421-D1423 PolarHBondContact O-N 2.9Å; E1421-P1424 WeakPolarHBondContact O-CD 3.5Å; E1421-K1523 IonicContact OE1-NZ 2.67Å; E1421-K1523 PolarHBondContact OE1-NZ 2.93Å; E1421-K1523 WeakPolarHBondContact OE2-CE 3.34Å; E1421-K1523 IonicContact OE2-NZ 2.73Å; E1421-K1523 PolarHBondContact OE2-NZ 3.05Å
1422V48.6Very low50.6Low29 Ų2972.6 Ų72.618%0.17639%0.393CS..SBendtrans-58.6122.5171.2-159.80000108E1349 P1420 R1526E1349-V1422 WeakPolarHBondContact OE2-CG2 3.43Å; P1420-V1422 HydrophobicContact CB-CG2 4.17Å; P1420-V1422 HydrophobicContact CG-CG2 4.44Å; P1420-V1422 PolarHBondContact O-N 3.01Å; V1422-R1526 PolarHBondContact O-NH1 2.78Å
1423D48.5Very low51.5Low47 Ų4773 Ų7325%0.25139%0.393SS..  trans71.167.7-168.6-64.9-14.3000118.3E1421 K1425 A1426 T1427E1421-D1423 PolarHBondContact O-N 2.9Å; D1423-K1425 PolarHBondContact O-N 3.4Å; D1423-K1425 VanDerWaalsContact O-N 3.09Å; D1423-A1426 HydrophobicContact CB-CB 3.66Å; D1423-A1426 PolarHBondContact O-N 3.36Å; D1423-T1427 PolarHBondContact O-OG1 2.72Å
1424P47.8Very low52.6Low94 Ų9466.5 Ų66.561%0.6137%0.365SS*.Hα-helixtrans-59-24.2170.126.3-34.9000113.1E1421E1421-P1424 WeakPolarHBondContact O-CD 3.5Å
1425K46.2Very low53.7Low202 Ų20265.3 Ų65.388%0.87836%0.363SS*.Hα-helixtrans-82.3-15.6178-67.1177.2-178.4169.60114.4D1423D1423-K1425 PolarHBondContact O-N 3.4Å; D1423-K1425 VanDerWaalsContact O-N 3.09Å
1426A46.5Very low55.3Low39 Ų3963.7 Ų63.732%0.32235%0.351SS..Hα-helixtrans-98.4-14.9-177.400000113.7D1423D1423-A1426 HydrophobicContact CB-CB 3.66Å; D1423-A1426 PolarHBondContact O-N 3.36Å
1427T52.3Low56.9Low38 Ų3857.6 Ų57.623%0.23332%0.318CS..Hα-helixtrans-122.52.3-176.854.40000115.1D1423 V1519 K1523D1423-T1427 PolarHBondContact O-OG1 2.72Å; T1427-V1519 WeakPolarHBondContact O-CG1 3.5Å; T1427-K1523 HydrophobicContact CG2-CB 4.29Å; T1427-K1523 HydrophobicContact CG2-CD 4.36Å; T1427-K1523 HydrophobicContact CG2-CG 4.3Å
1428A55.6Low58.3Low52 Ų5260.1 Ų60.143%0.4332%0.324SS..  trans-64.1149.2174.100000112.6
1429Y62.4Low59.8Low41 Ų4161 Ų6116%0.16133%0.327CS..  trans-99.886.5175.1-170.1-111.1000110.6R1431 S1512 D1515 L1516Y1429-R1431 HydrophobicContact CE1-CB 3.9Å; Y1429-R1431 PolarHBondContact O-N 3.08Å; Y1429-S1512 VanDerWaalsContact OH-CA 3.29Å; Y1429-S1512 WeakPolarHBondContact OH-CA 3.36Å; Y1429-S1512 WeakPolarHBondContact OH-CB 3.38Å; Y1429-S1512 PolarHBondContact OH-O 3.11Å; Y1429-S1512 PolarHBondContact OH-OG 3.08Å; Y1429-D1515 HydrophobicContact CE2-CB 4.16Å; Y1429-L1516 HydrophobicContact CD1-CD1 4.46Å; Y1429-L1516 HydrophobicContact CD2-CD1 4.41Å; Y1429-L1516 HydrophobicContact CE2-CB 4.29Å; Y1429-L1516 HydrophobicContact CG-CD1 4.19Å
1430D64.6Low61Low120 Ų12059 Ų5964%0.64232%0.315SS*.  trans-71.929.4-171.5-65.2-10.9000115.2R1467D1430-R1467 VanDerWaalsContact C-NH1 3.29Å; D1430-R1467 PolarHBondContact O-NH1 3.28Å
1431R68.7Low62.7Low90 Ų9058.1 Ų58.134%0.3431%0.31SS..SBendtrans-138.3168.7-177.5-63.6-178.3-175.61603.6111.9Y1429 D1433 R1467 D1515Y1429-R1431 HydrophobicContact CE1-CB 3.9Å; Y1429-R1431 PolarHBondContact O-N 3.08Å; R1431-D1433 PolarHBondContact O-N 2.89Å; R1431-R1467 PolarHBondContact O-NH2 2.83Å; R1431-D1515 IonicContact CZ-OD2 3.5Å; R1431-D1515 IonicContact NH1-OD2 3.48Å; R1431-D1515 PolarHBondContact NH1-OD2 2.97Å; R1431-D1515 IonicContact NH2-OD2 3.39Å
1432L67.9Low64.1Low2 Ų254.9 Ų54.91%0.0130%0.297CS..  trans-66.1129.4172.5-71.285.5000110.8Q1436 I1437 V1455 D1459 R1467 A1471 S1512L1432-Q1436 HydrophobicContact CB-CB 4.39Å; L1432-I1437 HydrophobicContact CB-CD1 4.21Å; L1432-I1437 HydrophobicContact CB-CG1 3.74Å; L1432-I1437 WeakPolarHBondContact O-CD1 3.47Å; L1432-V1455 HydrophobicContact CD2-CG2 4.39Å; L1432-D1459 WeakPolarHBondContact CD1-OD1 3.39Å; L1432-R1467 HydrophobicContact CD1-CG 3.66Å; L1432-R1467 HydrophobicContact CG-CG 4.12Å; L1432-A1471 HydrophobicContact CD2-CB 3.98Å; L1432-S1512 PolarHBondContact O-OG 3.3Å
1433D69.3Low65Low62 Ų6255.7 Ų55.733%0.33231%0.307SS..  trans-61.4152.4175.4-83.2-38.2000111.7R1431 G1435 Q1436 I1437R1431-D1433 PolarHBondContact O-N 2.89Å; D1433-G1435 PolarHBondContact O-N 3.47Å; D1433-G1435 VanDerWaalsContact O-N 3.12Å; D1433-Q1436 HydrophobicContact CB-CB 4.33Å; D1433-Q1436 HydrophobicContact CB-CG 4.13Å; D1433-Q1436 PolarHBondContact O-N 2.94Å; D1433-I1437 WeakPolarHBondContact O-CG1 3.41Å; D1433-I1437 PolarHBondContact O-N 2.94Å
1434P72.9Confident66Low30 Ų3055.4 Ų55.420%0.19530%0.304CS..Hα-helixtrans-51.7-35.4171.3-2634.7000113.1M1438 A1513P1434-M1438 WeakPolarHBondContact O-CB 3.33Å; P1434-M1438 PolarHBondContact O-N 3.08Å; P1434-A1513 HydrophobicContact CG-CB 4.24Å
1435G71.8Confident67Low31 Ų3154.9 Ų54.932%0.3230%0.296SS..Hα-helixtrans-68.5-40.1174.600000114D1433 M1438 Y1439D1433-G1435 PolarHBondContact O-N 3.47Å; D1433-G1435 VanDerWaalsContact O-N 3.12Å; G1435-M1438 PolarHBondContact O-N 3.44Å; G1435-Y1439 WeakPolarHBondContact O-CB 3.39Å; G1435-Y1439 PolarHBondContact O-N 3.22Å
1436Q74.5Confident68.1Low38 Ų3849.7 Ų49.718%0.17828%0.277CS..Hα-helixtrans-67.9-42.7175.8-70.4174.8-17.400111.4L1432 D1433 M1438 Y1439 A1440 Y2025L1432-Q1436 HydrophobicContact CB-CB 4.39Å; D1433-Q1436 HydrophobicContact CB-CB 4.33Å; D1433-Q1436 HydrophobicContact CB-CG 4.13Å; D1433-Q1436 PolarHBondContact O-N 2.94Å; Q1436-M1438 VanDerWaalsContact C-N 3.3Å; Q1436-M1438 PolarHBondContact O-N 3.38Å; Q1436-Y1439 PolarHBondContact O-N 3.02Å; Q1436-A1440 PolarHBondContact O-N 3.09Å; Q1436-Y2025 HydrophobicContact CG-CE1 4.39Å
1437I78.1Confident69.3Low3 Ų350.4 Ų50.42%0.01528%0.276CS..Hα-helixtrans-60.2-41.9174.2-65.5172.3000110.5L1432 D1433 A1441 V1455 F1505L1432-I1437 HydrophobicContact CB-CD1 4.21Å; L1432-I1437 HydrophobicContact CB-CG1 3.74Å; L1432-I1437 WeakPolarHBondContact O-CD1 3.47Å; D1433-I1437 WeakPolarHBondContact O-CG1 3.41Å; D1433-I1437 PolarHBondContact O-N 2.94Å; I1437-A1441 WeakPolarHBondContact O-CB 3.08Å; I1437-A1441 PolarHBondContact O-N 2.94Å; I1437-V1455 HydrophobicContact CD1-CG1 4.22Å; I1437-V1455 HydrophobicContact CG1-CG1 4.12Å; I1437-V1455 HydrophobicContact CG1-CG2 4.27Å; I1437-V1455 HydrophobicContact CG2-CG2 4.45Å; I1437-F1505 HydrophobicContact CG2-CD2 4.46Å; I1437-F1505 HydrophobicContact CG2-CE2 3.58Å; I1437-F1505 HydrophobicContact CG2-CZ 3.87Å
1438M74.6Confident70.4Confident113 Ų11350.1 Ų50.156%0.55727%0.272SS*.Hα-helixtrans-67.8-41.3176.2-173.91706500112.5P1434 G1435 Q1436 A1441 T1442P1434-M1438 WeakPolarHBondContact O-CB 3.33Å; P1434-M1438 PolarHBondContact O-N 3.08Å; G1435-M1438 PolarHBondContact O-N 3.44Å; Q1436-M1438 VanDerWaalsContact C-N 3.3Å; Q1436-M1438 PolarHBondContact O-N 3.38Å; M1438-A1441 PolarHBondContact O-N 2.69Å; M1438-T1442 PolarHBondContact O-N 2.87Å; M1438-T1442 PolarHBondContact O-OG1 2.8Å
1439Y75.4Confident70.9Confident75 Ų7549.8 Ų49.829%0.29427%0.27SS..Hα-helixtrans-59.2-49.9175.1-179.5-111.5000111.2G1435 Q1436 A1441 T1442 A1443 Y2025G1435-Y1439 WeakPolarHBondContact O-CB 3.39Å; G1435-Y1439 PolarHBondContact O-N 3.22Å; Q1436-Y1439 PolarHBondContact O-N 3.02Å; Y1439-A1441 VanDerWaalsContact C-N 3.31Å; Y1439-A1441 PolarHBondContact O-N 3Å; Y1439-T1442 CarbonylContact O-C 3.6Å; Y1439-T1442 PolarHBondContact O-N 3.44Å; Y1439-T1442 VanDerWaalsContact O-N 3.07Å; Y1439-T1442 PolarHBondContact O-OG1 2.85Å; Y1439-A1443 PolarHBondContact O-N 2.89Å; Y1439-Y2025 AromaticContact CD1-CD1 3.75Å; Y1439-Y2025 HydrophobicContact CD1-CD1 3.75Å; Y1439-Y2025 HydrophobicContact CD2-CD1 4.23Å; Y1439-Y2025 HydrophobicContact CE1-CD1 4.16Å; Y1439-Y2025 AromaticContact CG-CD1 3.78Å; Y1439-Y2025 HydrophobicContact CG-CD1 3.78Å; Y1439-Y2025 HydrophobicContact CG-CE1 4.4Å; Y1439-Y2025 PolarHBondContact OH-O 3.13Å; Y1439-Y2025 VanDerWaalsContact OH-O 3.1Å
1440A71.7Confident71.3Confident2 Ų253 Ų532%0.01729%0.285CS..Hα-helixtrans-57.4-42.2175.300000112.1Q1436 T1442 A1443 H1444 V1472Q1436-A1440 PolarHBondContact O-N 3.09Å; A1440-T1442 VanDerWaalsContact C-N 3.34Å; A1440-T1442 PolarHBondContact O-N 2.92Å; A1440-A1443 PolarHBondContact O-N 2.98Å; A1440-H1444 PolarHBondContact O-CD2 3.48Å; A1440-H1444 PolarHBondContact O-N 2.81Å; A1440-V1472 HydrophobicContact CB-CG2 4.44Å
1441A74.2Confident71.8Confident4 Ų447.3 Ų47.33%0.03326%0.255CS..Hα-helixtrans-62.4-36.7175.200000113.5I1437 M1438 Y1439 L1446 T1451 F1505I1437-A1441 WeakPolarHBondContact O-CB 3.08Å; I1437-A1441 PolarHBondContact O-N 2.94Å; M1438-A1441 PolarHBondContact O-N 2.69Å; Y1439-A1441 VanDerWaalsContact C-N 3.31Å; Y1439-A1441 PolarHBondContact O-N 3Å; A1441-L1446 WeakPolarHBondContact O-CA 3.15Å; A1441-L1446 PolarHBondContact O-N 2.92Å; A1441-T1451 HydrophobicContact CB-CG2 4.38Å; A1441-F1505 HydrophobicContact CB-CE2 3.79Å; A1441-F1505 HydrophobicContact CB-CZ 3.7Å
1442T73.7Confident72.1Confident41 Ų4144.2 Ų44.225%0.25225%0.245SC..Hα-helixtrans-76.3-26.9174.258.40000113.9M1438 Y1439 A1440M1438-T1442 PolarHBondContact O-N 2.87Å; M1438-T1442 PolarHBondContact O-OG1 2.8Å; Y1439-T1442 CarbonylContact O-C 3.6Å; Y1439-T1442 PolarHBondContact O-N 3.44Å; Y1439-T1442 VanDerWaalsContact O-N 3.07Å; Y1439-T1442 PolarHBondContact O-OG1 2.85Å; A1440-T1442 VanDerWaalsContact C-N 3.34Å; A1440-T1442 PolarHBondContact O-N 2.92Å
1443A68.7Low72.4Confident45 Ų4550.6 Ų50.637%0.37228%0.275SS..Hα-helixtrans-70.6-40.4175.200000111.7Y1439 A1440 D1445 V1472Y1439-A1443 PolarHBondContact O-N 2.89Å; A1440-A1443 PolarHBondContact O-N 2.98Å; A1443-D1445 PolarHBondContact O-N 3.11Å; A1443-V1472 HydrophobicContact CB-CG1 4.37Å
1444H69.6Low72.6Confident42 Ų4249 Ų4919%0.19427%0.265CS..THydrogen-bonded Turntrans-8428.5177.2-65.2-64.7000113.8A1440 L1446 D1447 T1451 Q1454 A1471 V1472A1440-H1444 PolarHBondContact O-CD2 3.48Å; A1440-H1444 PolarHBondContact O-N 2.81Å; H1444-L1446 PolarHBondContact O-N 2.88Å; H1444-D1447 WeakPolarHBondContact O-CB 3.35Å; H1444-D1447 PolarHBondContact O-N 2.88Å; H1444-T1451 HydrophobicContact CB-CG2 3.75Å; H1444-Q1454 PolarHBondContact CD2-OE1 2.92Å; H1444-Q1454 PolarHBondContact NE2-OE1 2.76Å; H1444-Q1454 VanDerWaalsContact NE2-OE1 3.15Å; H1444-A1471 PolarHBondContact NE2-O 3.34Å; H1444-V1472 PolarHBondContact CE1-O 2.04Å
1445D67.7Low72.7Confident83 Ų8347.8 Ų47.844%0.44426%0.258SS..THydrogen-bonded Turntrans47.935177-114.516.4000113.2A1443 K2035A1443-D1445 PolarHBondContact O-N 3.11Å; D1445-K2035 PolarHBondContact OD1-N 2.65Å
1446L69.9Low72.8Confident93 Ų9353 Ų5349%0.48727%0.271SS..THydrogen-bonded Turntrans66.432.4-175.1-57.6171.5000116.4A1441 H1444 L1448 L2036A1441-L1446 WeakPolarHBondContact O-CA 3.15Å; A1441-L1446 PolarHBondContact O-N 2.92Å; H1444-L1446 PolarHBondContact O-N 2.88Å; L1446-L1448 PolarHBondContact O-N 2.88Å; L1446-L2036 HydrophobicContact CD1-CD1 4.12Å
1447D71.3Confident72.9Confident53 Ų5356.1 Ų56.128%0.28328%0.284SS..  trans-74.786.1166-163.5-32.7000111.8H1444 A1449 K1450 T1451H1444-D1447 WeakPolarHBondContact O-CB 3.35Å; H1444-D1447 PolarHBondContact O-N 2.88Å; D1447-A1449 PolarHBondContact O-N 3.12Å; D1447-A1449 PolarHBondContact OD1-N 2.81Å; D1447-K1450 HydrophobicContact CB-CB 4.39Å; D1447-K1450 PolarHBondContact O-N 3.28Å; D1447-K1450 PolarHBondContact OD1-N 3Å; D1447-K1450 IonicContact OD2-NZ 3.45Å; D1447-K1450 PolarHBondContact OD2-NZ 3.3Å; D1447-T1451 WeakPolarHBondContact O-CB 3.42Å; D1447-T1451 WeakPolarHBondContact O-CG2 3.48Å; D1447-T1451 PolarHBondContact O-N 3.5Å; D1447-T1451 VanDerWaalsContact O-N 3.12Å; D1447-T1451 PolarHBondContact O-OG1 3.18Å
1448L75Confident72.5Confident32 Ų3256 Ų5617%0.16828%0.284CS..Hα-helixtrans-66.2-14-177.6-62.4168.6000113.9L1446 T1451 V1452 T1502 F1505L1446-L1448 PolarHBondContact O-N 2.88Å; L1448-T1451 VanDerWaalsContact CA-OG1 3.28Å; L1448-T1451 WeakPolarHBondContact CA-OG1 3.48Å; L1448-T1451 PolarHBondContact O-OG1 3.37Å; L1448-V1452 VanDerWaalsContact O-CG2 3.24Å; L1448-V1452 WeakPolarHBondContact O-CG2 3.31Å; L1448-T1502 HydrophobicContact CD1-CG2 4.09Å; L1448-T1502 VanDerWaalsContact CD1-OG1 3.27Å; L1448-T1502 WeakPolarHBondContact CD1-OG1 3.31Å; L1448-F1505 HydrophobicContact CD2-CB 4.08Å; L1448-F1505 HydrophobicContact CD2-CD1 3.82Å; L1448-F1505 HydrophobicContact CD2-CD2 3.87Å; L1448-F1505 HydrophobicContact CD2-CE1 4.2Å; L1448-F1505 HydrophobicContact CD2-CE2 4.25Å; L1448-F1505 HydrophobicContact CD2-CG 3.65Å; L1448-F1505 HydrophobicContact CD2-CZ 4.4Å
1449A67Low72.3Confident46 Ų4652.6 Ų52.638%0.3827%0.268SS..Hα-helixtrans-82.7-53.3174.900000110.9D1447 T1451 V1452 Q1453D1447-A1449 PolarHBondContact O-N 3.12Å; D1447-A1449 PolarHBondContact OD1-N 2.81Å; A1449-T1451 PolarHBondContact O-N 2.92Å; A1449-V1452 PolarHBondContact O-N 2.82Å; A1449-Q1453 PolarHBondContact O-N 2.99Å
1450K70.9Confident72.1Confident108 Ų10854.6 Ų54.647%0.4729%0.288SS..Hα-helixtrans-60.4-46.7178.9-67.1-168.1-17785.70111.9D1447 V1452 Q1453 Q1454D1447-K1450 HydrophobicContact CB-CB 4.39Å; D1447-K1450 PolarHBondContact O-N 3.28Å; D1447-K1450 PolarHBondContact OD1-N 3Å; D1447-K1450 IonicContact OD2-NZ 3.45Å; D1447-K1450 PolarHBondContact OD2-NZ 3.3Å; K1450-V1452 VanDerWaalsContact C-N 3.34Å; K1450-V1452 PolarHBondContact O-N 3.44Å; K1450-Q1453 WeakPolarHBondContact O-CA 3.16Å; K1450-Q1453 WeakPolarHBondContact O-CB 3.37Å; K1450-Q1453 PolarHBondContact O-N 3.05Å; K1450-Q1454 WeakPolarHBondContact O-CG 3.15Å; K1450-Q1454 PolarHBondContact O-N 3.1Å; K1450-Q1454 PolarHBondContact O-OE1 3.31Å
1451T74.4Confident72.1Confident1 Ų156.4 Ų56.41%0.00630%0.297CS..Hα-helixtrans-59.6-40-179.351.20000112.8A1441 H1444 D1447 L1448 A1449 Q1453 Q1454 V1455A1441-T1451 HydrophobicContact CB-CG2 4.38Å; H1444-T1451 HydrophobicContact CB-CG2 3.75Å; D1447-T1451 WeakPolarHBondContact O-CB 3.42Å; D1447-T1451 WeakPolarHBondContact O-CG2 3.48Å; D1447-T1451 PolarHBondContact O-N 3.5Å; D1447-T1451 VanDerWaalsContact O-N 3.12Å; D1447-T1451 PolarHBondContact O-OG1 3.18Å; L1448-T1451 VanDerWaalsContact CA-OG1 3.28Å; L1448-T1451 WeakPolarHBondContact CA-OG1 3.48Å; L1448-T1451 PolarHBondContact O-OG1 3.37Å; A1449-T1451 PolarHBondContact O-N 2.92Å; T1451-Q1453 VanDerWaalsContact C-N 3.32Å; T1451-Q1453 PolarHBondContact O-N 2.87Å; T1451-Q1454 PolarHBondContact O-N 3.48Å; T1451-V1455 VanDerWaalsContact O-CB 3.31Å; T1451-V1455 WeakPolarHBondContact O-CB 3.09Å; T1451-V1455 WeakPolarHBondContact O-CG2 3.33Å; T1451-V1455 PolarHBondContact O-N 2.97Å
1452V76.1Confident71.7Confident24 Ų2465.5 Ų65.515%0.14534%0.336CS..Hα-helixtrans-68.6-29176.2170.80000112.4L1448 A1449 K1450 K1456 F1505L1448-V1452 VanDerWaalsContact O-CG2 3.24Å; L1448-V1452 WeakPolarHBondContact O-CG2 3.31Å; A1449-V1452 PolarHBondContact O-N 2.82Å; K1450-V1452 VanDerWaalsContact C-N 3.34Å; K1450-V1452 PolarHBondContact O-N 3.44Å; V1452-K1456 WeakPolarHBondContact O-CG 3.46Å; V1452-K1456 PolarHBondContact O-N 3.47Å; V1452-F1505 HydrophobicContact CG2-CB 3.83Å; V1452-F1505 HydrophobicContact CG2-CD2 3.98Å; V1452-F1505 HydrophobicContact CG2-CG 4.42Å
1453Q73.4Confident71.4Confident137 Ų13768.7 Ų68.764%0.6435%0.352SS*.Hα-helixtrans-75-47172.1-68.2170.8-40.700111.4A1449 K1450 T1451 K1456 K1457A1449-Q1453 PolarHBondContact O-N 2.99Å; K1450-Q1453 WeakPolarHBondContact O-CA 3.16Å; K1450-Q1453 WeakPolarHBondContact O-CB 3.37Å; K1450-Q1453 PolarHBondContact O-N 3.05Å; T1451-Q1453 VanDerWaalsContact C-N 3.32Å; T1451-Q1453 PolarHBondContact O-N 2.87Å; Q1453-K1456 WeakPolarHBondContact O-CB 3.41Å; Q1453-K1456 PolarHBondContact O-N 2.85Å; Q1453-K1457 PolarHBondContact O-N 2.84Å
1454Q73.3Confident71.1Confident27 Ų2770.1 Ų70.113%0.12636%0.357CS..Hα-helixtrans-65-40.4180-73.3161.8-40.100112.3H1444 K1450 T1451 K1456 K1457 G1458 E1474H1444-Q1454 PolarHBondContact CD2-OE1 2.92Å; H1444-Q1454 PolarHBondContact NE2-OE1 2.76Å; H1444-Q1454 VanDerWaalsContact NE2-OE1 3.15Å; K1450-Q1454 WeakPolarHBondContact O-CG 3.15Å; K1450-Q1454 PolarHBondContact O-N 3.1Å; K1450-Q1454 PolarHBondContact O-OE1 3.31Å; T1451-Q1454 PolarHBondContact O-N 3.48Å; Q1454-K1456 VanDerWaalsContact C-N 3.32Å; Q1454-K1456 PolarHBondContact O-N 3.21Å; Q1454-K1457 WeakPolarHBondContact O-CB 3.47Å; Q1454-K1457 PolarHBondContact O-N 3.05Å; Q1454-K1457 VanDerWaalsContact O-N 3.13Å; Q1454-G1458 PolarHBondContact O-N 3.2Å; Q1454-E1474 PolarHBondContact NE2-O 2.76Å
1455V74.6Confident70.9Confident5 Ų573.6 Ų73.63%0.0338%0.377CS..Hα-helixtrans-62.5-37.7173.3169.30000111.5L1432 I1437 T1451 K1457 G1458 D1459L1432-V1455 HydrophobicContact CD2-CG2 4.39Å; I1437-V1455 HydrophobicContact CD1-CG1 4.22Å; I1437-V1455 HydrophobicContact CG1-CG1 4.12Å; I1437-V1455 HydrophobicContact CG1-CG2 4.27Å; I1437-V1455 HydrophobicContact CG2-CG2 4.45Å; T1451-V1455 VanDerWaalsContact O-CB 3.31Å; T1451-V1455 WeakPolarHBondContact O-CB 3.09Å; T1451-V1455 WeakPolarHBondContact O-CG2 3.33Å; T1451-V1455 PolarHBondContact O-N 2.97Å; V1455-K1457 VanDerWaalsContact C-N 3.33Å; V1455-K1457 PolarHBondContact O-N 3.06Å; V1455-G1458 PolarHBondContact O-N 3.49Å; V1455-D1459 WeakPolarHBondContact O-CB 3.3Å; V1455-D1459 PolarHBondContact O-N 3.19Å
1456K75Confident71Confident140 Ų14071.4 Ų71.461%0.60937%0.368SS*.Hα-helixtrans-66.8-32.3173.6-77.7176.2176.2-175.40113.1V1452 Q1453 Q1454V1452-K1456 WeakPolarHBondContact O-CG 3.46Å; V1452-K1456 PolarHBondContact O-N 3.47Å; Q1453-K1456 WeakPolarHBondContact O-CB 3.41Å; Q1453-K1456 PolarHBondContact O-N 2.85Å; Q1454-K1456 VanDerWaalsContact C-N 3.32Å; Q1454-K1456 PolarHBondContact O-N 3.21Å
1457K76.1Confident71.1Confident104 Ų10468.2 Ų68.245%0.45235%0.35SS..Hα-helixtrans-70.9-40.6172.9-169.3-179.4179.5-177.30110.8Q1453 Q1454 V1455 T1460 I1470 E1474Q1453-K1457 PolarHBondContact O-N 2.84Å; Q1454-K1457 WeakPolarHBondContact O-CB 3.47Å; Q1454-K1457 PolarHBondContact O-N 3.05Å; Q1454-K1457 VanDerWaalsContact O-N 3.13Å; V1455-K1457 VanDerWaalsContact C-N 3.33Å; V1455-K1457 PolarHBondContact O-N 3.06Å; K1457-T1460 PolarHBondContact O-N 3.02Å; K1457-T1460 PolarHBondContact O-OG1 2.91Å; K1457-I1470 HydrophobicContact CD-CG2 4.05Å; K1457-I1470 HydrophobicContact CG-CG2 4.28Å; K1457-E1474 IonicContact NZ-OE1 3.32Å; K1457-E1474 IonicContact NZ-OE2 3.55Å; K1457-E1474 PolarHBondContact NZ-OE2 3.38Å
1458G69.5Low70.9Confident0 Ų066.4 Ų66.40%034%0.342CS..Hα-helixtrans-64.2-43.5174.800000113.4Q1454 V1455 T1460 I1461 R1467Q1454-G1458 PolarHBondContact O-N 3.2Å; V1455-G1458 PolarHBondContact O-N 3.49Å; G1458-T1460 PolarHBondContact O-N 3.29Å; G1458-I1461 PolarHBondContact O-N 3.48Å; G1458-R1467 WeakPolarHBondContact O-CD 3.42Å; G1458-R1467 VanDerWaalsContact O-CG 3.32Å; G1458-R1467 WeakPolarHBondContact O-CG 3.33Å
1459D70.6Confident70.5Confident43 Ų4368.9 Ų68.923%0.2336%0.355CS..THydrogen-bonded Turntrans-57-13.6179-81.6-30.7000114.6L1432 V1455 K1508L1432-D1459 WeakPolarHBondContact CD1-OD1 3.39Å; V1455-D1459 WeakPolarHBondContact O-CB 3.3Å; V1455-D1459 PolarHBondContact O-N 3.19Å; D1459-K1508 IonicContact OD1-NZ 3.16Å; D1459-K1508 WeakPolarHBondContact OD2-CE 3.41Å; D1459-K1508 IonicContact OD2-NZ 2.7Å; D1459-K1508 PolarHBondContact OD2-NZ 2.98Å
1460T71.8Confident70.5Confident116 Ų11668.6 Ų68.671%0.71235%0.347SS*.THydrogen-bonded Turntrans-91.2-6.3175.860.90000114.4K1457 G1458K1457-T1460 PolarHBondContact O-N 3.02Å; K1457-T1460 PolarHBondContact O-OG1 2.91Å; G1458-T1460 PolarHBondContact O-N 3.29Å
1461I70.7Confident70.2Confident41 Ų4163.5 Ų63.521%0.2133%0.325CS..  trans-101.4135.2-171.9-57.2177.9000110G1458 S1466 R1467 I1470G1458-I1461 PolarHBondContact O-N 3.48Å; I1461-S1466 WeakPolarHBondContact CG2-OG 3.31Å; I1461-R1467 HydrophobicContact CB-CB 4.22Å; I1461-R1467 HydrophobicContact CG2-CB 4.35Å; I1461-I1470 HydrophobicContact CD1-CB 4.36Å; I1461-I1470 HydrophobicContact CD1-CD1 3.52Å; I1461-I1470 HydrophobicContact CD1-CG2 4.32Å
1462K65.4Low69.8Low195 Ų19564 Ų6485%0.84833%0.328SS*.SBendtrans-78.4-43.9-176.8-69.8-174.9177.3-179.60113.2
1463D68.2Low69.1Low108 Ų10865.2 Ų65.258%0.57834%0.337SS*.SBendtrans-75.4129.6-175.1-48-47.9000110.3D1465 S1466 R1467D1463-D1465 PolarHBondContact O-N 2.9Å; D1463-S1466 PolarHBondContact O-OG 3.24Å; D1463-R1467 WeakPolarHBondContact O-CB 3.48Å; D1463-R1467 PolarHBondContact O-N 3.39Å; D1463-R1467 VanDerWaalsContact O-N 3.08Å
1464P63.6Low68.3Low74 Ų7463.4 Ų63.448%0.48133%0.329SS..Hα-helixtrans-66.1-37.5-171.225.3-33.9000112.7R1467 A1468P1464-R1467 WeakPolarHBondContact O-CB 3.41Å; P1464-A1468 WeakPolarHBondContact O-CB 3.43Å; P1464-A1468 PolarHBondContact O-N 3.31Å
1465D64.6Low67.1Low116 Ų11667.7 Ų67.762%0.6236%0.359SS*.Hα-helixtrans-72.7-44.1-173.8-57.5-14.9000111.5D1463 A1468 L1469D1463-D1465 PolarHBondContact O-N 2.9Å; D1465-A1468 PolarHBondContact O-N 2.92Å; D1465-L1469 WeakPolarHBondContact O-CB 3.4Å; D1465-L1469 PolarHBondContact O-N 3.45Å
1466S69.4Low65.7Low37 Ų3776.8 Ų76.826%0.25940%0.401SS..Hα-helixtrans-70.8-34.8176.367.30000111.6I1461 D1463 L1469 I1470I1461-S1466 WeakPolarHBondContact CG2-OG 3.31Å; D1463-S1466 PolarHBondContact O-OG 3.24Å; S1466-L1469 PolarHBondContact O-N 3.05Å; S1466-I1470 WeakPolarHBondContact O-CB 3.28Å; S1466-I1470 WeakPolarHBondContact O-CG1 3.25Å; S1466-I1470 PolarHBondContact O-N 2.66Å
1467R71.5Confident64Low26 Ų2674.7 Ų74.710%0.09841%0.41CS..Hα-helixtrans-58.3-44.2169.6175.2171.785.9-172.38.1112.3D1430 R1431 L1432 G1458 I1461 D1463 P1464 A1471D1430-R1467 VanDerWaalsContact C-NH1 3.29Å; D1430-R1467 PolarHBondContact O-NH1 3.28Å; R1431-R1467 PolarHBondContact O-NH2 2.83Å; L1432-R1467 HydrophobicContact CD1-CG 3.66Å; L1432-R1467 HydrophobicContact CG-CG 4.12Å; G1458-R1467 WeakPolarHBondContact O-CD 3.42Å; G1458-R1467 VanDerWaalsContact O-CG 3.32Å; G1458-R1467 WeakPolarHBondContact O-CG 3.33Å; I1461-R1467 HydrophobicContact CB-CB 4.22Å; I1461-R1467 HydrophobicContact CG2-CB 4.35Å; D1463-R1467 WeakPolarHBondContact O-CB 3.48Å; D1463-R1467 PolarHBondContact O-N 3.39Å; D1463-R1467 VanDerWaalsContact O-N 3.08Å; P1464-R1467 WeakPolarHBondContact O-CB 3.41Å; R1467-A1471 PolarHBondContact O-N 3.43Å
1468A67.3Low61.9Low15 Ų1581.5 Ų81.512%0.12443%0.433CS..Hα-helixtrans-69.6-43.1176.400000112P1464 D1465 A1471P1464-A1468 WeakPolarHBondContact O-CB 3.43Å; P1464-A1468 PolarHBondContact O-N 3.31Å; D1465-A1468 PolarHBondContact O-N 2.92Å; A1468-A1471 PolarHBondContact O-N 2.89Å
1469L67.8Low60.3Low83 Ų8391.2 Ų91.244%0.43548%0.475SS..Hα-helixtrans-61.4-50.2179.7-171.871.5000112.2D1465 S1466 A1471 V1472 S1473 P2026D1465-L1469 WeakPolarHBondContact O-CB 3.4Å; D1465-L1469 PolarHBondContact O-N 3.45Å; S1466-L1469 PolarHBondContact O-N 3.05Å; L1469-A1471 VanDerWaalsContact C-N 3.26Å; L1469-A1471 PolarHBondContact O-N 3.19Å; L1469-V1472 CarbonylContact O-C 3.56Å; L1469-V1472 WeakPolarHBondContact O-CA 3.43Å; L1469-V1472 PolarHBondContact O-N 2.9Å; L1469-S1473 WeakPolarHBondContact O-CB 3Å; L1469-S1473 PolarHBondContact O-N 3.34Å; L1469-S1473 PolarHBondContact O-OG 3.25Å; L1469-P2026 HydrophobicContact CD1-CB 4.25Å; L1469-P2026 HydrophobicContact CD1-CG 4.26Å
1470I66.8Low58.6Low40 Ų4095.2 Ų95.221%0.20550%0.503CS..Hα-helixtrans-68.5-24.3-175.9-71.3164.1000112.2K1457 I1461 S1466 V1472K1457-I1470 HydrophobicContact CD-CG2 4.05Å; K1457-I1470 HydrophobicContact CG-CG2 4.28Å; I1461-I1470 HydrophobicContact CD1-CB 4.36Å; I1461-I1470 HydrophobicContact CD1-CD1 3.52Å; I1461-I1470 HydrophobicContact CD1-CG2 4.32Å; S1466-I1470 WeakPolarHBondContact O-CB 3.28Å; S1466-I1470 WeakPolarHBondContact O-CG1 3.25Å; S1466-I1470 PolarHBondContact O-N 2.66Å; I1470-V1472 PolarHBondContact O-N 3.16Å
1471A64.7Low56.7Low2 Ų293.8 Ų93.82%0.01751%0.512CS..Hα-helixtrans-66.8-15169.600000113.3L1432 H1444 R1467 A1468 L1469L1432-A1471 HydrophobicContact CD2-CB 3.98Å; H1444-A1471 PolarHBondContact NE2-O 3.34Å; R1467-A1471 PolarHBondContact O-N 3.43Å; A1468-A1471 PolarHBondContact O-N 2.89Å; L1469-A1471 VanDerWaalsContact C-N 3.26Å; L1469-A1471 PolarHBondContact O-N 3.19Å
1472V65.1Low54.9Low12 Ų1295.6 Ų95.67%0.07354%0.54CS..Hα-helixtrans-118.4-29.6-173.5-178.50000113.2A1440 A1443 H1444 L1469 I1470 P2028A1440-V1472 HydrophobicContact CB-CG2 4.44Å; A1443-V1472 HydrophobicContact CB-CG1 4.37Å; H1444-V1472 PolarHBondContact CE1-O 2.04Å; L1469-V1472 CarbonylContact O-C 3.56Å; L1469-V1472 WeakPolarHBondContact O-CA 3.43Å; L1469-V1472 PolarHBondContact O-N 2.9Å; I1470-V1472 PolarHBondContact O-N 3.16Å; V1472-P2028 HydrophobicContact CG1-CG 3.93Å
1473S60.8Low53.4Low48 Ų4892.3 Ų92.334%0.33654%0.537SS..Hα-helixtrans-95.7-18.5-156.664.50000119L1469 P1475L1469-S1473 WeakPolarHBondContact O-CB 3Å; L1469-S1473 PolarHBondContact O-N 3.34Å; L1469-S1473 PolarHBondContact O-OG 3.25Å; S1473-P1475 WeakPolarHBondContact O-CD 3.42Å
1474E57Low51.5Low99 Ų9995.5 Ų95.546%0.46355%0.548SS..  trans-112117.2-168.3-70.9-175.6134.400115.3Q1454 K1457Q1454-E1474 PolarHBondContact NE2-O 2.76Å; K1457-E1474 IonicContact NZ-OE1 3.32Å; K1457-E1474 IonicContact NZ-OE2 3.55Å; K1457-E1474 PolarHBondContact NZ-OE2 3.38Å
1475P49.5Very low49.9Very low118 Ų118101.3 Ų101.377%0.76657%0.569SS**PPolyproline II helixtrans-89.6154.1145.635.8-30000110.9S1473S1473-P1475 WeakPolarHBondContact O-CD 3.42Å
1476E44.8Very low48.2Very low196 Ų196102.4 Ų102.492%0.91658%0.58SS**PPolyproline II helixtrans-65.9136.3-170.1-62.1-175.6138.200114.8R1478E1476-R1478 PolarHBondContact O-N 2.98Å
1477A39.5Very low46.4Very low96 Ų96109.1 Ų109.179%0.79361%0.613SS**PPolyproline II helixtrans-75.9116.917300000111.1K1479A1477-K1479 PolarHBondContact O-N 3.41Å; A1477-K1479 VanDerWaalsContact O-N 3.15Å
1478R32.1Very low44.2Very low247 Ų247111 Ų11193%0.93264%0.641SS**  trans-57.6114.7171.5-77.3178.2166.7173.6-6110.7E1476E1476-R1478 PolarHBondContact O-N 2.98Å
1479K36Very low42.5Very low204 Ų204118.5 Ų118.589%0.88768%0.679SS**  trans-74.7132.9166.4-71.1-175177-178.70110.4A1477A1477-K1479 PolarHBondContact O-N 3.41Å; A1477-K1479 VanDerWaalsContact O-N 3.15Å
1480P34.2Very low40.9Very low126 Ų126123.7 Ų123.782%0.81870%0.701SS**  trans-95.7126.6173.134-29.8000112.3
1481G31.9Very low39.4Very low87 Ų87129.4 Ų129.490%0.89773%0.732SS**  trans78.4130.8163.700000116.9
1482G33.5Very low38.1Very low78 Ų78138.8 Ų138.880%0.80478%0.775SS**  trans154.8117.3174.900000111.8
1483T32.7Very low36.8Very low126 Ų126145.5 Ų145.577%0.77381%0.811SS**  trans-69144.1-166.5-26.80000114.9
1484E28.9Very low35.9Very low175 Ų175148.6 Ų148.682%0.81882%0.824SS**  trans26.2116.2149.2-66.4162.4-172.400120.5
1485E30Very low35Very low197 Ų197152.4 Ų152.492%0.92184%0.839SS**  -153.6166107.1-114.9176.7-160.400110.3
1486T29.8Very low34.6Very low138 Ų138153.8 Ų153.885%0.84784%0.84SS**  trans-90.7124.5-160.452.30000115.7
1487D30.2Very low35.2Very low178 Ų178146.8 Ų146.895%0.95281%0.812SS**  trans-152.6130.9150.4-113.3-27.4000109.4
1488G26.7Very low35.9Very low67 Ų67149.1 Ų149.169%0.69181%0.805SS**  trans-173.8114.5-179.300000114.7
1489D30.2Very low37.4Very low171 Ų171143 Ų14391%0.91479%0.794SS**  trans172.770.8155.1-97.8-14.4000110
1490E33.9Very low39Very low192 Ų192138.8 Ų138.890%0.89778%0.778SS**  trans-127.4-8.7177.7-70.7-152.4145.700116.7E1492E1490-E1492 PolarHBondContact O-N 3.22Å
1491D35.4Very low40.5Very low161 Ų161133.7 Ų133.786%0.86175%0.745SS**THydrogen-bonded Turntrans-82.2-6.8-162-96.7-43.1000118.2
1492E37.1Very low42.3Very low198 Ų198132 Ų13293%0.92572%0.718SS**THydrogen-bonded Turntrans-95.5-19.7-177.5-77.4-138.7129.500116.3E1490 N1494E1490-E1492 PolarHBondContact O-N 3.22Å; E1492-N1494 VanDerWaalsContact C-N 3.28Å; E1492-N1494 PolarHBondContact O-N 3.43Å
1493D39.1Very low44.1Very low153 Ų153131 Ų13182%0.81870%0.702SS**  trans-83.78.2-169.7-100.5-12.7000114.9K1495D1493-K1495 PolarHBondContact O-N 2.92Å
1494N41Very low46.3Very low113 Ų113129.7 Ų129.760%0.60469%0.685SS**THydrogen-bonded Turntrans-78.546.8-165.1-154.6-6.9000115.9E1492 S1497E1492-N1494 VanDerWaalsContact C-N 3.28Å; E1492-N1494 PolarHBondContact O-N 3.43Å; N1494-S1497 PolarHBondContact OD1-OG 3.05Å
1495K38.8Very low48.7Very low180 Ų180122.5 Ų122.578%0.78365%0.651SS**THydrogen-bonded Turntrans-122.6-38173.9-78.7176.6-179.9162.60114.1D1493 S1497D1493-K1495 PolarHBondContact O-N 2.92Å; K1495-S1497 VanDerWaalsContact C-N 3.25Å; K1495-S1497 PolarHBondContact O-N 3.05Å
1496D41.4Very low50.9Low147 Ų147116.9 Ų116.979%0.78663%0.627SS**THydrogen-bonded Turntrans-77-17.9-179.6-69.2-0.4000111.7K1498D1496-K1498 PolarHBondContact O-N 3.23Å
1497S56.8Low53.4Low48 Ų48117 Ų11734%0.33662%0.618SS.*Hα-helixtrans-56.8-27.3175.659.40000114.8N1494 K1495 V1499 E1500 S1501N1494-S1497 PolarHBondContact OD1-OG 3.05Å; K1495-S1497 VanDerWaalsContact C-N 3.25Å; K1495-S1497 PolarHBondContact O-N 3.05Å; S1497-V1499 PolarHBondContact O-N 3.43Å; S1497-E1500 PolarHBondContact O-N 3.35Å; S1497-S1501 PolarHBondContact O-N 3.24Å; S1497-S1501 PolarHBondContact O-OG 2.87Å
1498K55.2Low55.8Low146 Ų146111.1 Ų111.164%0.63558%0.584SS**Hα-helixtrans-69.9-32.2-171.6-68-163.8174.2-165.70114.4D1496 S1501 T1502D1496-K1498 PolarHBondContact O-N 3.23Å; K1498-S1501 WeakPolarHBondContact CA-OG 3.43Å; K1498-S1501 PolarHBondContact O-OG 3.41Å; K1498-T1502 WeakPolarHBondContact O-CB 3.32Å; K1498-T1502 PolarHBondContact O-N 2.86Å; K1498-T1502 VanDerWaalsContact O-N 3.12Å; K1498-T1502 PolarHBondContact O-OG1 2.72Å
1499V62.7Low58.3Low118 Ų118111 Ų11172%0.71557%0.566SS**Hα-helixtrans-72.5-39.4178-178.10000110.1S1497 T1502 A1503S1497-V1499 PolarHBondContact O-N 3.43Å; V1499-T1502 PolarHBondContact O-N 3.04Å; V1499-A1503 WeakPolarHBondContact O-CB 3.07Å; V1499-A1503 PolarHBondContact O-N 3.08Å
1500E70.4Confident60.7Low115 Ų115107 Ų10754%0.53754%0.543SS..Hα-helixtrans-71.4-39.7179.7-162-175152.600112.5S1497 A1503 K1504S1497-E1500 PolarHBondContact O-N 3.35Å; E1500-A1503 PolarHBondContact O-N 2.89Å; E1500-K1504 HydrophobicContact CG-CD 4.25Å; E1500-K1504 WeakPolarHBondContact O-CB 3.26Å; E1500-K1504 VanDerWaalsContact O-CG 3.31Å; E1500-K1504 WeakPolarHBondContact O-CG 3.33Å; E1500-K1504 PolarHBondContact O-N 2.95Å; E1500-K1504 WeakPolarHBondContact OE1-CE 3.2Å; E1500-K1504 IonicContact OE1-NZ 2.8Å; E1500-K1504 PolarHBondContact OE1-NZ 3.44Å
1501S65.4Low63Low20 Ų2099.3 Ų99.314%0.1451%0.513CS..Hα-helixtrans-64.9-39.1173.158.20000112S1497 K1498 K1504 F1505S1497-S1501 PolarHBondContact O-N 3.24Å; S1497-S1501 PolarHBondContact O-OG 2.87Å; K1498-S1501 WeakPolarHBondContact CA-OG 3.43Å; K1498-S1501 PolarHBondContact O-OG 3.41Å; S1501-K1504 PolarHBondContact O-N 3.36Å; S1501-F1505 WeakPolarHBondContact O-CB 3.35Å; S1501-F1505 PolarHBondContact O-N 3.02Å
1502T69.1Low65.1Low51 Ų5191.8 Ų91.831%0.31347%0.473SS..Hα-helixtrans-60.2-46.8172.5-55.60000111.8L1448 K1498 V1499 K1504 F1505 I1506L1448-T1502 HydrophobicContact CD1-CG2 4.09Å; L1448-T1502 VanDerWaalsContact CD1-OG1 3.27Å; L1448-T1502 WeakPolarHBondContact CD1-OG1 3.31Å; K1498-T1502 WeakPolarHBondContact O-CB 3.32Å; K1498-T1502 PolarHBondContact O-N 2.86Å; K1498-T1502 VanDerWaalsContact O-N 3.12Å; K1498-T1502 PolarHBondContact O-OG1 2.72Å; V1499-T1502 PolarHBondContact O-N 3.04Å; T1502-K1504 PolarHBondContact O-N 2.94Å; T1502-F1505 PolarHBondContact O-N 3.33Å; T1502-I1506 HydrophobicContact CG2-CD1 3.93Å; T1502-I1506 WeakPolarHBondContact O-CG1 3.27Å; T1502-I1506 PolarHBondContact O-N 3.33Å
1503A71.9Confident67.1Low57 Ų5784.5 Ų84.547%0.47145%0.447SS..Hα-helixtrans-62.6-42.5178.200000112.1V1499 E1500 I1506 Q1507V1499-A1503 WeakPolarHBondContact O-CB 3.07Å; V1499-A1503 PolarHBondContact O-N 3.08Å; E1500-A1503 PolarHBondContact O-N 2.89Å; A1503-I1506 PolarHBondContact O-N 2.91Å; A1503-Q1507 VanDerWaalsContact O-CB 3.32Å; A1503-Q1507 WeakPolarHBondContact O-CB 3.45Å; A1503-Q1507 PolarHBondContact O-N 3.26Å
1504K77.6Confident69.3Low99 Ų9980 Ų8043%0.4342%0.422SS..Hα-helixtrans-63.8-39.9176-75.9166171.2168.50112.5E1500 S1501 T1502 K1508E1500-K1504 HydrophobicContact CG-CD 4.25Å; E1500-K1504 WeakPolarHBondContact O-CB 3.26Å; E1500-K1504 VanDerWaalsContact O-CG 3.31Å; E1500-K1504 WeakPolarHBondContact O-CG 3.33Å; E1500-K1504 PolarHBondContact O-N 2.95Å; E1500-K1504 WeakPolarHBondContact OE1-CE 3.2Å; E1500-K1504 IonicContact OE1-NZ 2.8Å; E1500-K1504 PolarHBondContact OE1-NZ 3.44Å; S1501-K1504 PolarHBondContact O-N 3.36Å; T1502-K1504 PolarHBondContact O-N 2.94Å; K1504-K1508 WeakPolarHBondContact O-CB 3.23Å; K1504-K1508 PolarHBondContact O-N 2.9Å
1505F79.1Confident71.2Confident24 Ų2475.1 Ų75.111%0.10540%0.396CS..Hα-helixtrans-63.2-50.6174.9179.4-92.7000111.5I1437 A1441 L1448 V1452 S1501 T1502 Q1507 K1508 M1509I1437-F1505 HydrophobicContact CG2-CD2 4.46Å; I1437-F1505 HydrophobicContact CG2-CE2 3.58Å; I1437-F1505 HydrophobicContact CG2-CZ 3.87Å; A1441-F1505 HydrophobicContact CB-CE2 3.79Å; A1441-F1505 HydrophobicContact CB-CZ 3.7Å; L1448-F1505 HydrophobicContact CD2-CB 4.08Å; L1448-F1505 HydrophobicContact CD2-CD1 3.82Å; L1448-F1505 HydrophobicContact CD2-CD2 3.87Å; L1448-F1505 HydrophobicContact CD2-CE1 4.2Å; L1448-F1505 HydrophobicContact CD2-CE2 4.25Å; L1448-F1505 HydrophobicContact CD2-CG 3.65Å; L1448-F1505 HydrophobicContact CD2-CZ 4.4Å; V1452-F1505 HydrophobicContact CG2-CB 3.83Å; V1452-F1505 HydrophobicContact CG2-CD2 3.98Å; V1452-F1505 HydrophobicContact CG2-CG 4.42Å; S1501-F1505 WeakPolarHBondContact O-CB 3.35Å; S1501-F1505 PolarHBondContact O-N 3.02Å; T1502-F1505 PolarHBondContact O-N 3.33Å; F1505-Q1507 VanDerWaalsContact C-N 3.33Å; F1505-Q1507 PolarHBondContact O-N 3.06Å; F1505-K1508 PolarHBondContact O-N 3.39Å; F1505-M1509 HydrophobicContact CE1-SD 4.44Å; F1505-M1509 PolarHBondContact O-N 3.42Å
1506I78Confident73.3Confident78 Ų7869.3 Ų69.340%0.437%0.373SS..Hα-helixtrans-60-43177.9-67.6169.7000110.8T1502 A1503 K1508 M1509 I1510T1502-I1506 HydrophobicContact CG2-CD1 3.93Å; T1502-I1506 WeakPolarHBondContact O-CG1 3.27Å; T1502-I1506 PolarHBondContact O-N 3.33Å; A1503-I1506 PolarHBondContact O-N 2.91Å; I1506-K1508 PolarHBondContact O-N 2.78Å; I1506-M1509 PolarHBondContact O-N 3.47Å; I1506-I1510 HydrophobicContact CG2-CD1 3.69Å; I1506-I1510 HydrophobicContact CG2-CG1 4.35Å; I1506-I1510 WeakPolarHBondContact O-CG1 3.36Å; I1506-I1510 PolarHBondContact O-N 2.88Å
1507Q81.3Confident75.3Confident140 Ų14064.9 Ų64.965%0.65435%0.353SS*.Hα-helixtrans-60.2-42.9176.3-173.3-177.27.400112.3A1503 F1505 A1511A1503-Q1507 VanDerWaalsContact O-CB 3.32Å; A1503-Q1507 WeakPolarHBondContact O-CB 3.45Å; A1503-Q1507 PolarHBondContact O-N 3.26Å; F1505-Q1507 VanDerWaalsContact C-N 3.33Å; F1505-Q1507 PolarHBondContact O-N 3.06Å; Q1507-A1511 VanDerWaalsContact O-CB 3.3Å; Q1507-A1511 WeakPolarHBondContact O-CB 3.46Å; Q1507-A1511 PolarHBondContact O-N 3.29Å
1508K80.1Confident76.7Confident55 Ų5562.6 Ų62.624%0.23934%0.337CS..Hα-helixtrans-67.1-40176.8175.560.2174.1174.50112D1459 K1504 F1505 I1506 A1511 S1512D1459-K1508 IonicContact OD1-NZ 3.16Å; D1459-K1508 WeakPolarHBondContact OD2-CE 3.41Å; D1459-K1508 IonicContact OD2-NZ 2.7Å; D1459-K1508 PolarHBondContact OD2-NZ 2.98Å; K1504-K1508 WeakPolarHBondContact O-CB 3.23Å; K1504-K1508 PolarHBondContact O-N 2.9Å; F1505-K1508 PolarHBondContact O-N 3.39Å; I1506-K1508 PolarHBondContact O-N 2.78Å; K1508-A1511 PolarHBondContact O-N 3.32Å; K1508-S1512 WeakPolarHBondContact O-CB 3.27Å; K1508-S1512 PolarHBondContact O-N 2.86Å
1509M80Confident77.9Confident65 Ų6556.8 Ų56.832%0.3231%0.314SS..Hα-helixtrans-64.1-47.4176.3-173.4-177.372.900111.8F1505 I1506 S1512 A1513F1505-M1509 HydrophobicContact CE1-SD 4.44Å; F1505-M1509 PolarHBondContact O-N 3.42Å; I1506-M1509 PolarHBondContact O-N 3.47Å; M1509-S1512 WeakPolarHBondContact O-CB 2.97Å; M1509-S1512 PolarHBondContact O-N 2.69Å; M1509-A1513 PolarHBondContact O-N 2.9Å
1510I80.7Confident78.6Confident86 Ų8654.8 Ų54.844%0.44130%0.302SS..Hα-helixtrans-63.5-42.2176.5-68171000110.7I1506 S1512 A1513 L1514I1506-I1510 HydrophobicContact CG2-CD1 3.69Å; I1506-I1510 HydrophobicContact CG2-CG1 4.35Å; I1506-I1510 WeakPolarHBondContact O-CG1 3.36Å; I1506-I1510 PolarHBondContact O-N 2.88Å; I1510-S1512 VanDerWaalsContact C-N 3.32Å; I1510-S1512 PolarHBondContact O-N 2.85Å; I1510-A1513 PolarHBondContact O-N 3.22Å; I1510-L1514 HydrophobicContact CG2-CD1 3.76Å; I1510-L1514 HydrophobicContact CG2-CG 4.17Å; I1510-L1514 WeakPolarHBondContact O-CB 3.34Å; I1510-L1514 VanDerWaalsContact O-CG 3.28Å; I1510-L1514 WeakPolarHBondContact O-CG 3.39Å; I1510-L1514 PolarHBondContact O-N 3.06Å
1511A81.1Confident79.3Confident32 Ų3251.2 Ų51.226%0.26429%0.286SS..Hα-helixtrans-62.1-38.1175.700000112.6Q1507 K1508 D1515Q1507-A1511 VanDerWaalsContact O-CB 3.3Å; Q1507-A1511 WeakPolarHBondContact O-CB 3.46Å; Q1507-A1511 PolarHBondContact O-N 3.29Å; K1508-A1511 PolarHBondContact O-N 3.32Å; A1511-D1515 PolarHBondContact O-N 2.75Å
1512S79.3Confident80.1Confident3 Ų350.7 Ų50.72%0.02128%0.282CS..Hα-helixtrans-63.3-49.4174.7-170.10000111.2Y1429 L1432 K1508 M1509 I1510 L1514 D1515 L1516Y1429-S1512 VanDerWaalsContact OH-CA 3.29Å; Y1429-S1512 WeakPolarHBondContact OH-CA 3.36Å; Y1429-S1512 WeakPolarHBondContact OH-CB 3.38Å; Y1429-S1512 PolarHBondContact OH-O 3.11Å; Y1429-S1512 PolarHBondContact OH-OG 3.08Å; L1432-S1512 PolarHBondContact O-OG 3.3Å; K1508-S1512 WeakPolarHBondContact O-CB 3.27Å; K1508-S1512 PolarHBondContact O-N 2.86Å; M1509-S1512 WeakPolarHBondContact O-CB 2.97Å; M1509-S1512 PolarHBondContact O-N 2.69Å; I1510-S1512 VanDerWaalsContact C-N 3.32Å; I1510-S1512 PolarHBondContact O-N 2.85Å; S1512-L1514 PolarHBondContact O-N 2.72Å; S1512-D1515 PolarHBondContact O-N 2.91Å; S1512-L1516 WeakPolarHBondContact O-CB 3.07Å; S1512-L1516 PolarHBondContact O-N 3.46Å
1513A80.4Confident80.4Confident44 Ų4452.4 Ų52.436%0.36429%0.285SS..Hα-helixtrans-64.5-38.3178.500000113.5P1434 M1509 I1510 C1517P1434-A1513 HydrophobicContact CG-CB 4.24Å; M1509-A1513 PolarHBondContact O-N 2.9Å; I1510-A1513 PolarHBondContact O-N 3.22Å; A1513-C1517 VanDerWaalsContact O-CB 3.31Å; A1513-C1517 WeakPolarHBondContact O-CB 3.47Å; A1513-C1517 PolarHBondContact O-N 2.97Å
1514L85.2Confident80.6Confident58 Ų5855.3 Ų55.330%0.30429%0.292SS..Hα-helixtrans-67.4-42.5176.2-72.9173.2000112.2I1510 S1512 S1518 L1598I1510-L1514 HydrophobicContact CG2-CD1 3.76Å; I1510-L1514 HydrophobicContact CG2-CG 4.17Å; I1510-L1514 WeakPolarHBondContact O-CB 3.34Å; I1510-L1514 VanDerWaalsContact O-CG 3.28Å; I1510-L1514 WeakPolarHBondContact O-CG 3.39Å; I1510-L1514 PolarHBondContact O-N 3.06Å; S1512-L1514 PolarHBondContact O-N 2.72Å; L1514-S1518 WeakPolarHBondContact O-CB 3.47Å; L1514-S1518 PolarHBondContact O-N 3.46Å; L1514-L1598 HydrophobicContact CD2-CD2 3.61Å
1515D81.5Confident80.8Confident11 Ų1150.7 Ų50.76%0.05927%0.272CS..Hα-helixtrans-65.8-43.7176.1-88.1-19.1000110.6Y1429 R1431 A1511 S1512 C1517 S1518 V1519 S1594 R1597Y1429-D1515 HydrophobicContact CE2-CB 4.16Å; R1431-D1515 IonicContact CZ-OD2 3.5Å; R1431-D1515 IonicContact NH1-OD2 3.48Å; R1431-D1515 PolarHBondContact NH1-OD2 2.97Å; R1431-D1515 IonicContact NH2-OD2 3.39Å; A1511-D1515 PolarHBondContact O-N 2.75Å; S1512-D1515 PolarHBondContact O-N 2.91Å; D1515-C1517 PolarHBondContact O-N 2.76Å; D1515-S1518 PolarHBondContact O-N 2.84Å; D1515-S1518 VanDerWaalsContact O-N 3.12Å; D1515-S1518 PolarHBondContact O-OG 3.24Å; D1515-V1519 WeakPolarHBondContact O-CG2 3.35Å; D1515-V1519 PolarHBondContact O-N 2.82Å; D1515-S1594 WeakPolarHBondContact OD1-CA 3.44Å; D1515-S1594 WeakPolarHBondContact OD1-CB 3.48Å; D1515-R1597 IonicContact OD1-CZ 3.93Å; D1515-R1597 IonicContact OD1-NH1 3.73Å; D1515-R1597 PolarHBondContact OD1-NH1 2.89Å; D1515-R1597 IonicContact OD2-NH1 3.74Å; D1515-R1597 PolarHBondContact OD2-NH1 3.19Å; D1515-R1597 VanDerWaalsContact OD2-NH1 3.1Å
1516L82.3Confident80.8Confident58 Ų5852 Ų5230%0.30428%0.277SS..Hα-helixtrans-58.8-45.8175.2179.163.1000113.1Y1429 S1512 S1518 V1519 T1520Y1429-L1516 HydrophobicContact CD1-CD1 4.46Å; Y1429-L1516 HydrophobicContact CD2-CD1 4.41Å; Y1429-L1516 HydrophobicContact CE2-CB 4.29Å; Y1429-L1516 HydrophobicContact CG-CD1 4.19Å; S1512-L1516 WeakPolarHBondContact O-CB 3.07Å; S1512-L1516 PolarHBondContact O-N 3.46Å; L1516-S1518 VanDerWaalsContact C-N 3.32Å; L1516-S1518 PolarHBondContact O-N 2.85Å; L1516-V1519 PolarHBondContact O-N 3.13Å; L1516-T1520 PolarHBondContact O-N 3.17Å; L1516-T1520 PolarHBondContact O-OG1 2.57Å
1517C83.7Confident80.8Confident54 Ų5451.6 Ų51.637%0.36527%0.273SS..Hα-helixtrans-63.3-38.3174.1-175.40000111.7A1513 D1515 T1520 L1521 L1598A1513-C1517 VanDerWaalsContact O-CB 3.31Å; A1513-C1517 WeakPolarHBondContact O-CB 3.47Å; A1513-C1517 PolarHBondContact O-N 2.97Å; D1515-C1517 PolarHBondContact O-N 2.76Å; C1517-T1520 WeakPolarHBondContact CA-OG1 3.29Å; C1517-T1520 PolarHBondContact O-OG1 2.83Å; C1517-T1520 VanDerWaalsContact O-OG1 3.06Å; C1517-L1521 PolarHBondContact O-N 3.3Å; C1517-L1521 VanDerWaalsContact O-N 3.14Å; C1517-L1598 HydrophobicContact CB-CD1 4.31Å
1518S85.1Confident81Confident0 Ų046.2 Ų46.20%025%0.248CC..Hα-helixtrans-67.1-39.5176.482.90000112.3L1514 D1515 L1516 N1522 W1589L1514-S1518 WeakPolarHBondContact O-CB 3.47Å; L1514-S1518 PolarHBondContact O-N 3.46Å; D1515-S1518 PolarHBondContact O-N 2.84Å; D1515-S1518 VanDerWaalsContact O-N 3.12Å; D1515-S1518 PolarHBondContact O-OG 3.24Å; L1516-S1518 VanDerWaalsContact C-N 3.32Å; L1516-S1518 PolarHBondContact O-N 2.85Å; S1518-N1522 WeakPolarHBondContact O-CB 3.48Å; S1518-N1522 PolarHBondContact O-N 3.38Å; S1518-W1589 WeakPolarHBondContact OG-CH2 3.41Å; S1518-W1589 WeakPolarHBondContact OG-CZ2 3.45Å
1519V80.7Confident81.2Confident25 Ų2545.1 Ų45.115%0.15224%0.242CC..Hα-helixtrans-66-47177.51710000111.1T1427 D1515 L1516 N1522 K1523 W1589T1427-V1519 WeakPolarHBondContact O-CG1 3.5Å; D1515-V1519 WeakPolarHBondContact O-CG2 3.35Å; D1515-V1519 PolarHBondContact O-N 2.82Å; L1516-V1519 PolarHBondContact O-N 3.13Å; V1519-N1522 PolarHBondContact O-N 3.46Å; V1519-K1523 WeakPolarHBondContact O-CB 3.49Å; V1519-K1523 PolarHBondContact O-N 2.83Å; V1519-W1589 HydrophobicContact CG2-CH2 3.79Å; V1519-W1589 HydrophobicContact CG2-CZ3 4.25Å
1520T77.6Confident81.4Confident75 Ų7542.1 Ų42.146%0.4623%0.227SC..Hα-helixtrans-63.2-43.3-179.345.20000112.6L1516 C1517 L1524L1516-T1520 PolarHBondContact O-N 3.17Å; L1516-T1520 PolarHBondContact O-OG1 2.57Å; C1517-T1520 WeakPolarHBondContact CA-OG1 3.29Å; C1517-T1520 PolarHBondContact O-OG1 2.83Å; C1517-T1520 VanDerWaalsContact O-OG1 3.06Å; T1520-L1524 PolarHBondContact O-N 2.83Å
1521L84.3Confident81.7Confident40 Ų4038.3 Ų38.321%0.20921%0.208CC..Hα-helixtrans-64.8-43.9171.4-74169.5000112.2C1517 K1523 L1524 C1525 L1598 A1601 V1602C1517-L1521 PolarHBondContact O-N 3.3Å; C1517-L1521 VanDerWaalsContact O-N 3.14Å; L1521-K1523 VanDerWaalsContact C-N 3.25Å; L1521-K1523 PolarHBondContact O-N 2.99Å; L1521-L1524 PolarHBondContact O-N 2.81Å; L1521-L1524 VanDerWaalsContact O-N 3.14Å; L1521-C1525 PolarHBondContact O-N 2.82Å; L1521-C1525 PolarHBondContact O-SG 2.83Å; L1521-L1598 HydrophobicContact CD1-CD1 3.73Å; L1521-A1601 HydrophobicContact CB-CB 3.83Å; L1521-V1602 HydrophobicContact CD1-CG2 3.77Å
1522N82.9Confident81.9Confident10 Ų1038.2 Ų38.25%0.05321%0.21CC..Hα-helixtrans-62.7-31.1-179.1-172.836.2000112.6S1518 V1519 C1525 R1529 W1589 A1601S1518-N1522 WeakPolarHBondContact O-CB 3.48Å; S1518-N1522 PolarHBondContact O-N 3.38Å; V1519-N1522 PolarHBondContact O-N 3.46Å; N1522-C1525 PolarHBondContact O-N 3.03Å; N1522-R1529 PolarHBondContact ND2-NH1 2.77Å; N1522-R1529 WeakPolarHBondContact OD1-CD 3.44Å; N1522-R1529 PolarHBondContact OD1-NH1 2.87Å; N1522-W1589 HydrophobicContact CB-CH2 4.27Å; N1522-W1589 HydrophobicContact CB-CZ2 3.77Å; N1522-W1589 VanDerWaalsContact ND2-CE3 3.31Å; N1522-W1589 WeakPolarHBondContact ND2-CZ2 3.46Å; N1522-W1589 WeakPolarHBondContact ND2-CZ3 3.31Å; N1522-A1601 HydrophobicContact CB-CB 4.31Å
1523K75.9Confident82.2Confident87 Ų8739.6 Ų39.638%0.37822%0.216SC..Hα-helixtrans-66.1-42.6172.3179.5169.7170.3176.20112.6E1421 T1427 V1519 L1521 C1525E1421-K1523 IonicContact OE1-NZ 2.67Å; E1421-K1523 PolarHBondContact OE1-NZ 2.93Å; E1421-K1523 WeakPolarHBondContact OE2-CE 3.34Å; E1421-K1523 IonicContact OE2-NZ 2.73Å; E1421-K1523 PolarHBondContact OE2-NZ 3.05Å; T1427-K1523 HydrophobicContact CG2-CB 4.29Å; T1427-K1523 HydrophobicContact CG2-CD 4.36Å; T1427-K1523 HydrophobicContact CG2-CG 4.3Å; V1519-K1523 WeakPolarHBondContact O-CB 3.49Å; V1519-K1523 PolarHBondContact O-N 2.83Å; L1521-K1523 VanDerWaalsContact C-N 3.25Å; L1521-K1523 PolarHBondContact O-N 2.99Å; K1523-C1525 PolarHBondContact O-N 3.02Å
1524L75.7Confident82.6Confident118 Ų11837.5 Ų37.562%0.61820%0.199SC*.Hα-helixtrans-64.4-22.6173.5-64.2172.3000113T1520 L1521T1520-L1524 PolarHBondContact O-N 2.83Å; L1521-L1524 PolarHBondContact O-N 2.81Å; L1521-L1524 VanDerWaalsContact O-N 3.14Å
1525C82.5Confident82.7Confident1 Ų135.3 Ų35.31%0.00719%0.187CC..THydrogen-bonded Turntrans-96.87.2-172.9-59.80000115.2L1521 N1522 K1523 E1527 H1528 R1529 N1604 C1605L1521-C1525 PolarHBondContact O-N 2.82Å; L1521-C1525 PolarHBondContact O-SG 2.83Å; N1522-C1525 PolarHBondContact O-N 3.03Å; K1523-C1525 PolarHBondContact O-N 3.02Å; C1525-E1527 PolarHBondContact O-N 3.25Å; C1525-H1528 PolarHBondContact O-N 3.29Å; C1525-R1529 VanDerWaalsContact O-CB 3.28Å; C1525-R1529 WeakPolarHBondContact O-CB 3.39Å; C1525-R1529 PolarHBondContact O-N 3.35Å; C1525-N1604 HydrophobicContact CB-CB 4.04Å; C1525-C1605 WeakPolarHBondContact SG-CA 3.34Å; C1525-C1605 VanDerWaalsContact SG-CB 3.5Å; C1525-C1605 PolarHBondContact SG-N 2.9Å
1526R79Confident82.8Confident52 Ų5237.4 Ų37.420%0.19620%0.203CC..Hα-helixtrans-49.1-57.4-165.7-175.6173.475.3-165.44113.1E1346 V1422 H1528 R1529 Y1530 E1582E1346-R1526 IonicContact OE1-CZ 3.61Å; E1346-R1526 IonicContact OE1-NE 3.55Å; E1346-R1526 IonicContact OE1-NH2 2.76Å; E1346-R1526 PolarHBondContact OE1-NH2 3.44Å; V1422-R1526 PolarHBondContact O-NH1 2.78Å; R1526-H1528 PolarHBondContact O-N 2.81Å; R1526-R1529 PolarHBondContact O-N 3Å; R1526-Y1530 WeakPolarHBondContact O-CB 3.25Å; R1526-Y1530 PolarHBondContact O-N 3.44Å; R1526-E1582 WeakPolarHBondContact CD-OE1 3.21Å; R1526-E1582 VanDerWaalsContact CG-OE1 3.28Å; R1526-E1582 WeakPolarHBondContact CG-OE1 3.2Å; R1526-E1582 IonicContact NE-OE1 3.02Å
1527E78.3Confident83.1Confident69 Ų6938.4 Ų38.432%0.32220%0.204SC..Hα-helixtrans-54.6-54.8-177.2-53.3176.5-137.600112.5K1339 L1342 C1525 R1529 Y1530 V1531K1339-E1527 WeakPolarHBondContact CE-OE2 3.38Å; K1339-E1527 IonicContact NZ-OE1 3.95Å; K1339-E1527 IonicContact NZ-OE2 2.74Å; K1339-E1527 PolarHBondContact NZ-OE2 2.96Å; L1342-E1527 HydrophobicContact CD2-CB 3.94Å; L1342-E1527 HydrophobicContact CD2-CG 3.82Å; C1525-E1527 PolarHBondContact O-N 3.25Å; E1527-R1529 VanDerWaalsContact C-N 3.34Å; E1527-R1529 PolarHBondContact O-N 2.82Å; E1527-Y1530 PolarHBondContact O-N 2.86Å; E1527-V1531 WeakPolarHBondContact O-CG2 3.45Å; E1527-V1531 PolarHBondContact O-N 2.86Å
1528H84.2Confident83.3Confident27 Ų2735.9 Ų35.913%0.12519%0.188CC..Hα-helixtrans-65-40.5-174.5174.6-98.2000111.4C1525 R1526 G1532 N1604 A1608 M1722C1525-H1528 PolarHBondContact O-N 3.29Å; R1526-H1528 PolarHBondContact O-N 2.81Å; H1528-G1532 PolarHBondContact O-N 3.49Å; H1528-N1604 PolarHBondContact ND1-O 3.12Å; H1528-A1608 HydrophobicContact CB-CB 3.66Å; H1528-M1722 WeakPolarHBondContact NE2-CE 3.43Å
1529R84.3Confident83.4Confident32 Ų3236.8 Ų36.812%0.12119%0.191CC..Hα-helixtrans-64.1-44.4176.1-178.1-165.268.6170.79111.5N1522 C1525 R1526 E1527 F1533 V1585N1522-R1529 PolarHBondContact ND2-NH1 2.77Å; N1522-R1529 WeakPolarHBondContact OD1-CD 3.44Å; N1522-R1529 PolarHBondContact OD1-NH1 2.87Å; C1525-R1529 VanDerWaalsContact O-CB 3.28Å; C1525-R1529 WeakPolarHBondContact O-CB 3.39Å; C1525-R1529 PolarHBondContact O-N 3.35Å; R1526-R1529 PolarHBondContact O-N 3Å; E1527-R1529 VanDerWaalsContact C-N 3.34Å; E1527-R1529 PolarHBondContact O-N 2.82Å; R1529-F1533 WeakPolarHBondContact O-CB 3.45Å; R1529-F1533 PolarHBondContact O-N 2.91Å; R1529-V1585 HydrophobicContact CG-CG1 3.66Å
1530Y85.4Confident83.7Confident2 Ų239.2 Ų39.21%0.00820%0.201CC..Hα-helixtrans-61.1-58.1176.2169.5-100000111.3L1338 L1342 R1526 E1527 G1532 F1533 V1534 V1572 V1578 M1581 E1582L1338-Y1530 HydrophobicContact CD2-CE1 4.49Å; L1342-Y1530 HydrophobicContact CD2-CD1 4.44Å; R1526-Y1530 WeakPolarHBondContact O-CB 3.25Å; R1526-Y1530 PolarHBondContact O-N 3.44Å; E1527-Y1530 PolarHBondContact O-N 2.86Å; Y1530-G1532 VanDerWaalsContact C-N 3.3Å; Y1530-G1532 PolarHBondContact O-N 2.86Å; Y1530-F1533 PolarHBondContact O-N 3.03Å; Y1530-F1533 VanDerWaalsContact O-N 3.16Å; Y1530-V1534 HydrophobicContact CD2-CG2 4.25Å; Y1530-V1534 HydrophobicContact CE1-CG2 4.35Å; Y1530-V1534 HydrophobicContact CE2-CG2 3.97Å; Y1530-V1534 WeakPolarHBondContact O-CG2 3.35Å; Y1530-V1534 PolarHBondContact O-N 3.33Å; Y1530-V1572 WeakPolarHBondContact OH-CG1 3.1Å; Y1530-V1572 WeakPolarHBondContact OH-CG2 3.46Å; Y1530-V1578 HydrophobicContact CE1-CG1 4.48Å; Y1530-V1578 HydrophobicContact CE2-CG1 4.01Å; Y1530-M1581 HydrophobicContact CD2-CB 4.46Å; Y1530-M1581 HydrophobicContact CE2-CB 3.74Å; Y1530-E1582 HydrophobicContact CD2-CG 3.39Å; Y1530-E1582 HydrophobicContact CE2-CG 3.78Å; Y1530-E1582 HydrophobicContact CG-CG 4.21Å
1531V86.2Confident84.2Confident7 Ų740 Ų404%0.04220%0.198CC..Hα-helixtrans-59.2-42.4-179.6176.40000111L1338 E1527 F1533 L1535 L1726L1338-V1531 HydrophobicContact CB-CG1 4.46Å; L1338-V1531 HydrophobicContact CB-CG2 3.99Å; L1338-V1531 HydrophobicContact CD1-CG1 4.41Å; E1527-V1531 WeakPolarHBondContact O-CG2 3.45Å; E1527-V1531 PolarHBondContact O-N 2.86Å; V1531-F1533 PolarHBondContact O-N 2.82Å; V1531-L1535 HydrophobicContact CG1-CD1 3.81Å; V1531-L1535 HydrophobicContact CG1-CG 4.29Å; V1531-L1535 WeakPolarHBondContact O-CB 3.41Å; V1531-L1535 VanDerWaalsContact O-CG 3.26Å; V1531-L1535 WeakPolarHBondContact O-CG 3.35Å; V1531-L1535 PolarHBondContact O-N 3.16Å; V1531-L1726 HydrophobicContact CG1-CD2 4.05Å
1532G85Confident84.3Confident30 Ų3038.1 Ų38.131%0.30919%0.188SC..Hα-helixtrans-62.6-39.7177.500000113.7H1528 Y1530 S1536H1528-G1532 PolarHBondContact O-N 3.49Å; Y1530-G1532 VanDerWaalsContact C-N 3.3Å; Y1530-G1532 PolarHBondContact O-N 2.86Å; G1532-S1536 WeakPolarHBondContact O-CB 3.44Å; G1532-S1536 PolarHBondContact O-N 3.2Å
1533F86.6Confident84.4Confident32 Ų3238.5 Ų38.514%0.1419%0.189CC..Hα-helixtrans-71.3-47177-178.7-93.2000112.2R1529 Y1530 V1531 L1535 S1536 K1537 M1581 A1584 V1585 D1588R1529-F1533 WeakPolarHBondContact O-CB 3.45Å; R1529-F1533 PolarHBondContact O-N 2.91Å; Y1530-F1533 PolarHBondContact O-N 3.03Å; Y1530-F1533 VanDerWaalsContact O-N 3.16Å; V1531-F1533 PolarHBondContact O-N 2.82Å; F1533-L1535 VanDerWaalsContact C-N 3.35Å; F1533-L1535 PolarHBondContact O-N 2.89Å; F1533-S1536 WeakPolarHBondContact O-CB 2.95Å; F1533-S1536 PolarHBondContact O-N 3.41Å; F1533-S1536 VanDerWaalsContact O-N 3.07Å; F1533-S1536 PolarHBondContact O-OG 3.38Å; F1533-K1537 HydrophobicContact CD1-CG 4.28Å; F1533-K1537 HydrophobicContact CE1-CG 3.99Å; F1533-K1537 HydrophobicContact CZ-CG 4.21Å; F1533-K1537 PolarHBondContact O-N 3.09Å; F1533-M1581 HydrophobicContact CD1-CE 3.94Å; F1533-M1581 HydrophobicContact CE1-CE 3.91Å; F1533-A1584 HydrophobicContact CE1-CB 4.27Å; F1533-V1585 HydrophobicContact CB-CG2 3.49Å; F1533-V1585 VanDerWaalsContact CB-CG2 3.49Å; F1533-V1585 HydrophobicContact CD1-CG2 3.34Å; F1533-V1585 HydrophobicContact CD2-CG2 4.12Å; F1533-V1585 HydrophobicContact CE1-CG2 3.98Å; F1533-V1585 HydrophobicContact CG-CG2 3.4Å; F1533-V1585 VanDerWaalsContact CG-CG2 3.4Å; F1533-D1588 HydrophobicContact CE2-CB 3.96Å
1534V87.7Confident84.8Confident0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-55.7-50.9175.8177.40000109.9L1338 Y1530 S1536 K1537 E1538 L1571 V1572 M1581L1338-V1534 HydrophobicContact CD1-CB 3.96Å; L1338-V1534 HydrophobicContact CD1-CG1 3.58Å; L1338-V1534 HydrophobicContact CD2-CG1 4.16Å; Y1530-V1534 HydrophobicContact CD2-CG2 4.25Å; Y1530-V1534 HydrophobicContact CE1-CG2 4.35Å; Y1530-V1534 HydrophobicContact CE2-CG2 3.97Å; Y1530-V1534 WeakPolarHBondContact O-CG2 3.35Å; Y1530-V1534 PolarHBondContact O-N 3.33Å; V1534-S1536 VanDerWaalsContact C-N 3.3Å; V1534-S1536 PolarHBondContact O-N 2.88Å; V1534-K1537 PolarHBondContact O-N 2.92Å; V1534-K1537 VanDerWaalsContact O-N 3.1Å; V1534-E1538 HydrophobicContact CG1-CG 4.25Å; V1534-E1538 WeakPolarHBondContact O-CG 3.29Å; V1534-E1538 PolarHBondContact O-N 2.85Å; V1534-L1571 HydrophobicContact CG1-CB 4.43Å; V1534-V1572 HydrophobicContact CG1-CG2 4.13Å; V1534-V1572 HydrophobicContact CG2-CG2 4.27Å; V1534-M1581 HydrophobicContact CB-CE 4.37Å; V1534-M1581 HydrophobicContact CG2-CB 4.28Å; V1534-M1581 HydrophobicContact CG2-CE 3.75Å
1535L86.9Confident85Confident12 Ų1235.7 Ų35.76%0.06320%0.199CC..Hα-helixtrans-60.2-36.7175.9-71.9175.2000112.7R1334 L1338 V1531 F1533 K1537 K1539 L1726R1334-L1535 HydrophobicContact CB-CD2 3.94Å; R1334-L1535 HydrophobicContact CG-CD2 3.92Å; L1338-L1535 HydrophobicContact CD1-CG 4.5Å; V1531-L1535 HydrophobicContact CG1-CD1 3.81Å; V1531-L1535 HydrophobicContact CG1-CG 4.29Å; V1531-L1535 WeakPolarHBondContact O-CB 3.41Å; V1531-L1535 VanDerWaalsContact O-CG 3.26Å; V1531-L1535 WeakPolarHBondContact O-CG 3.35Å; V1531-L1535 PolarHBondContact O-N 3.16Å; F1533-L1535 VanDerWaalsContact C-N 3.35Å; F1533-L1535 PolarHBondContact O-N 2.89Å; L1535-K1537 VanDerWaalsContact C-N 3.32Å; L1535-K1537 PolarHBondContact O-N 2.69Å; L1535-K1539 VanDerWaalsContact O-CB 3.28Å; L1535-K1539 WeakPolarHBondContact O-CB 3.41Å; L1535-K1539 VanDerWaalsContact O-CG 3.27Å; L1535-K1539 WeakPolarHBondContact O-CG 3.44Å; L1535-K1539 PolarHBondContact O-N 2.69Å; L1535-L1726 HydrophobicContact CD1-CD2 4.27Å
1536S85.4Confident85Confident55 Ų5538.4 Ų38.439%0.38521%0.211SC..Hα-helixtrans-65.3-34.6175.979.30000112.9G1532 F1533 V1534 Q1540G1532-S1536 WeakPolarHBondContact O-CB 3.44Å; G1532-S1536 PolarHBondContact O-N 3.2Å; F1533-S1536 WeakPolarHBondContact O-CB 2.95Å; F1533-S1536 PolarHBondContact O-N 3.41Å; F1533-S1536 VanDerWaalsContact O-N 3.07Å; F1533-S1536 PolarHBondContact O-OG 3.38Å; V1534-S1536 VanDerWaalsContact C-N 3.3Å; V1534-S1536 PolarHBondContact O-N 2.88Å; S1536-Q1540 WeakPolarHBondContact O-CB 3.48Å; S1536-Q1540 PolarHBondContact O-N 2.94Å
1537K87.9Confident85Confident78 Ų7839.2 Ų39.234%0.33923%0.225SC..Hα-helixtrans-78-38.8177-67.7-68.6170.9-168.70112.5F1533 V1534 L1535 K1539 Q1540 K1541 L1571F1533-K1537 HydrophobicContact CD1-CG 4.28Å; F1533-K1537 HydrophobicContact CE1-CG 3.99Å; F1533-K1537 HydrophobicContact CZ-CG 4.21Å; F1533-K1537 PolarHBondContact O-N 3.09Å; V1534-K1537 PolarHBondContact O-N 2.92Å; V1534-K1537 VanDerWaalsContact O-N 3.1Å; L1535-K1537 VanDerWaalsContact C-N 3.32Å; L1535-K1537 PolarHBondContact O-N 2.69Å; K1537-K1539 VanDerWaalsContact C-N 3.35Å; K1537-Q1540 PolarHBondContact O-N 2.83Å; K1537-K1541 WeakPolarHBondContact O-CB 3.33Å; K1537-K1541 PolarHBondContact O-N 2.86Å; K1537-L1571 HydrophobicContact CB-CD1 3.43Å; K1537-L1571 VanDerWaalsContact CB-CD1 3.43Å
1538E88.1Confident85Confident2 Ų242.9 Ų42.91%0.00924%0.242CC..Hα-helixtrans-64.4-38.7171.8-64.9-179163.800110.8L1331 R1334 V1534 K1541 L1542 Q1570 L1571L1331-E1538 HydrophobicContact CD1-CB 4.41Å; R1334-E1538 WeakPolarHBondContact CG-OE2 3.48Å; R1334-E1538 IonicContact CZ-OE1 2.69Å; R1334-E1538 IonicContact NE-OE1 2.96Å; R1334-E1538 PolarHBondContact NE-OE1 2.81Å; R1334-E1538 VanDerWaalsContact NE-OE1 3.08Å; R1334-E1538 IonicContact NE-OE2 2.75Å; R1334-E1538 PolarHBondContact NE-OE2 3.07Å; R1334-E1538 IonicContact NH2-OE1 3.58Å; R1334-E1538 PolarHBondContact NH2-OE1 3.01Å; V1534-E1538 HydrophobicContact CG1-CG 4.25Å; V1534-E1538 WeakPolarHBondContact O-CG 3.29Å; V1534-E1538 PolarHBondContact O-N 2.85Å; E1538-K1541 PolarHBondContact O-N 3.36Å; E1538-L1542 WeakPolarHBondContact O-CB 3.44Å; E1538-L1542 PolarHBondContact O-N 3.11Å; E1538-Q1570 WeakPolarHBondContact OE1-CA 3.45Å; E1538-L1571 HydrophobicContact CG-CB 4.44Å; E1538-L1571 HydrophobicContact CG-CD1 3.94Å; E1538-L1571 HydrophobicContact CG-CG 4.07Å; E1538-L1571 PolarHBondContact OE1-N 3.23Å
1539K87.6Confident84.8Confident19 Ų1942.5 Ų42.58%0.08324%0.242CC..Hα-helixtrans-61.5-48.1168.6-81.6178.3170.1-1770113E1324 S1327 E1328 L1331 L1535 K1537 K1541 L1542 K1543E1324-K1539 WeakPolarHBondContact OE1-CD 3.4Å; E1324-K1539 WeakPolarHBondContact OE1-CE 3.48Å; E1324-K1539 IonicContact OE1-NZ 2.8Å; E1324-K1539 PolarHBondContact OE1-NZ 3.02Å; S1327-K1539 WeakPolarHBondContact OG-CE 3.27Å; E1328-K1539 IonicContact OE1-NZ 2.66Å; E1328-K1539 PolarHBondContact OE1-NZ 2.74Å; L1331-K1539 HydrophobicContact CD1-CB 4.28Å; L1331-K1539 HydrophobicContact CD1-CG 3.59Å; L1535-K1539 VanDerWaalsContact O-CB 3.28Å; L1535-K1539 WeakPolarHBondContact O-CB 3.41Å; L1535-K1539 VanDerWaalsContact O-CG 3.27Å; L1535-K1539 WeakPolarHBondContact O-CG 3.44Å; L1535-K1539 PolarHBondContact O-N 2.69Å; K1537-K1539 VanDerWaalsContact C-N 3.35Å; K1539-K1541 VanDerWaalsContact C-N 3.27Å; K1539-K1541 PolarHBondContact O-N 3.3Å; K1539-L1542 WeakPolarHBondContact O-CB 3.34Å; K1539-L1542 PolarHBondContact O-N 2.98Å; K1539-L1542 VanDerWaalsContact O-N 3.16Å; K1539-K1543 PolarHBondContact O-N 2.97Å
1540Q87.2Confident84.5Confident75 Ų7541 Ų4135%0.3524%0.237SC..Hα-helixtrans-59.1-41.3179.5-170.4-179.87.600110.8S1536 K1537 S1544S1536-Q1540 WeakPolarHBondContact O-CB 3.48Å; S1536-Q1540 PolarHBondContact O-N 2.94Å; K1537-Q1540 PolarHBondContact O-N 2.83Å; Q1540-S1544 PolarHBondContact O-N 3.45Å; Q1540-S1544 PolarHBondContact O-OG 3.33Å
1541K86.9Confident84.1Confident93 Ų9341.5 Ų41.540%0.40424%0.24SC..Hα-helixtrans-67.5-38.6175.1-165.4178.9-177.4-177.60112.6K1537 E1538 K1539 S1544 G1545 S1568 L1569K1537-K1541 WeakPolarHBondContact O-CB 3.33Å; K1537-K1541 PolarHBondContact O-N 2.86Å; E1538-K1541 PolarHBondContact O-N 3.36Å; K1539-K1541 VanDerWaalsContact C-N 3.27Å; K1539-K1541 PolarHBondContact O-N 3.3Å; K1541-S1544 PolarHBondContact O-OG 2.9Å; K1541-G1545 PolarHBondContact O-N 3.38Å; K1541-S1568 PolarHBondContact NZ-O 3.02Å; K1541-L1569 HydrophobicContact CB-CD2 4.24Å; K1541-L1569 HydrophobicContact CD-CD2 3.88Å; K1541-L1569 HydrophobicContact CG-CD2 3.78Å
1542L86.7Confident83.5Confident0 Ų044.6 Ų44.60%026%0.257CS..Hα-helixtrans-64.2-45.8174177.562.1000111.7I1330 L1331 E1538 K1539 H1546 L1550 V1564 L1569I1330-L1542 HydrophobicContact CB-CD2 4.1Å; I1330-L1542 HydrophobicContact CD1-CD2 4.27Å; I1330-L1542 HydrophobicContact CG2-CD2 3.88Å; L1331-L1542 HydrophobicContact CD1-CD2 4.09Å; L1331-L1542 HydrophobicContact CG-CD2 4.22Å; E1538-L1542 WeakPolarHBondContact O-CB 3.44Å; E1538-L1542 PolarHBondContact O-N 3.11Å; K1539-L1542 WeakPolarHBondContact O-CB 3.34Å; K1539-L1542 PolarHBondContact O-N 2.98Å; K1539-L1542 VanDerWaalsContact O-N 3.16Å; L1542-H1546 HydrophobicContact CD1-CB 4.41Å; L1542-H1546 WeakPolarHBondContact O-CB 3.25Å; L1542-H1546 PolarHBondContact O-N 3.14Å; L1542-L1550 HydrophobicContact CG-CD1 4.41Å; L1542-V1564 HydrophobicContact CD1-CG1 4.14Å; L1542-V1564 HydrophobicContact CD1-CG2 4.34Å; L1542-L1569 HydrophobicContact CB-CD1 4.29Å; L1542-L1569 HydrophobicContact CD1-CD1 4.01Å
1543K85.5Confident82.6Confident18 Ų1845 Ų458%0.07825%0.253CS..Hα-helixtrans-61.2-46.9176.7-80.7176.2168.3-1710112.6D1146 D1149 V1323 E1324 K1539 S1547 L1550D1146-K1543 IonicContact OD2-NZ 3.4Å; D1146-K1543 PolarHBondContact OD2-NZ 2.94Å; D1149-K1543 IonicContact OD1-NZ 2.82Å; D1149-K1543 PolarHBondContact OD1-NZ 3.02Å; D1149-K1543 WeakPolarHBondContact OD2-CD 3.38Å; D1149-K1543 IonicContact OD2-NZ 3.92Å; D1149-K1543 PolarHBondContact OD2-NZ 2.97Å; D1149-K1543 VanDerWaalsContact OD2-NZ 3.16Å; V1323-K1543 HydrophobicContact CG1-CG 4.38Å; E1324-K1543 VanDerWaalsContact OE2-CE 3.26Å; E1324-K1543 WeakPolarHBondContact OE2-CE 3.17Å; E1324-K1543 IonicContact OE2-NZ 2.66Å; K1539-K1543 PolarHBondContact O-N 2.97Å; K1543-S1547 WeakPolarHBondContact O-CA 3.33Å; K1543-S1547 WeakPolarHBondContact O-CB 3.43Å; K1543-S1547 PolarHBondContact O-N 3.4Å; K1543-S1547 VanDerWaalsContact O-N 3.17Å; K1543-L1550 HydrophobicContact CG-CD1 4.35Å
1544S83.5Confident81.9Confident93 Ų9347.4 Ų47.465%0.6527%0.274SS*.Hα-helixtrans-73.7-34.7-177.958.80000113.2Q1540 K1541Q1540-S1544 PolarHBondContact O-N 3.45Å; Q1540-S1544 PolarHBondContact O-OG 3.33Å; K1541-S1544 PolarHBondContact O-OG 2.9Å
1545G80.8Confident81.1Confident53 Ų5353.8 Ų53.855%0.54630%0.298SS..Hα-helixtrans-79.6-23.717800000115.1K1541K1541-G1545 PolarHBondContact O-N 3.38Å
1546H81.8Confident80.1Confident58 Ų5857.6 Ų57.627%0.26931%0.314SS..SBendtrans-136.728.6-169.4-60.191.3000114.1L1542 E1548 S1549 L1550L1542-H1546 HydrophobicContact CD1-CB 4.41Å; L1542-H1546 WeakPolarHBondContact O-CB 3.25Å; L1542-H1546 PolarHBondContact O-N 3.14Å; H1546-E1548 VanDerWaalsContact C-N 3.35Å; H1546-E1548 PolarHBondContact O-N 3.06Å; H1546-S1549 WeakPolarHBondContact O-CB 3.35Å; H1546-S1549 PolarHBondContact O-N 2.96Å; H1546-L1550 WeakPolarHBondContact O-CG 3.39Å; H1546-L1550 PolarHBondContact O-N 3.28Å
1547S78.6Confident79.6Confident68 Ų6855.9 Ų55.948%0.47630%0.301SS..Hα-helixtrans-51.4-45.2-17854.70000114.2K1543 L1550 S1551K1543-S1547 WeakPolarHBondContact O-CA 3.33Å; K1543-S1547 WeakPolarHBondContact O-CB 3.43Å; K1543-S1547 PolarHBondContact O-N 3.4Å; K1543-S1547 VanDerWaalsContact O-N 3.17Å; S1547-L1550 PolarHBondContact O-N 3.14Å; S1547-S1551 WeakPolarHBondContact O-CB 3.35Å; S1547-S1551 PolarHBondContact O-N 3.49Å; S1547-S1551 PolarHBondContact O-OG 2.88Å
1548E79.7Confident78.9Confident146 Ų14656.7 Ų56.768%0.68231%0.312SS*.Hα-helixtrans-65.7-41.5175.9-64.3-167.4140.300112.3H1546 L1550 S1551 N1552H1546-E1548 VanDerWaalsContact C-N 3.35Å; H1546-E1548 PolarHBondContact O-N 3.06Å; E1548-L1550 VanDerWaalsContact C-N 3.32Å; E1548-L1550 PolarHBondContact O-N 2.99Å; E1548-S1551 WeakPolarHBondContact CA-OG 3.49Å; E1548-S1551 PolarHBondContact O-N 3.28Å; E1548-S1551 PolarHBondContact O-OG 3.42Å; E1548-N1552 WeakPolarHBondContact O-CB 3.24Å; E1548-N1552 PolarHBondContact O-N 2.82Å
1549S78.3Confident78.4Confident19 Ų1959.9 Ų59.913%0.13333%0.33CS..Hα-helixtrans-67.2-34.8178.2-160.90000111.8H1546 I1560H1546-S1549 WeakPolarHBondContact O-CB 3.35Å; H1546-S1549 PolarHBondContact O-N 2.96Å; S1549-I1560 WeakPolarHBondContact O-CD1 3.49Å
1550L77.9Confident77.8Confident1 Ų159 Ų591%0.00533%0.326CS..Hα-helixtrans-73-39.2176.1-70.4169000112.5V1323 R1326 I1330 L1542 K1543 H1546 S1547 E1548V1323-L1550 HydrophobicContact CG1-CB 4.38Å; V1323-L1550 HydrophobicContact CG1-CD1 4.35Å; R1326-L1550 HydrophobicContact CB-CD2 4.47Å; R1326-L1550 PolarHBondContact NE-O 2.94Å; R1326-L1550 PolarHBondContact NH2-O 3.5Å; I1330-L1550 HydrophobicContact CD1-CD2 3.64Å; L1542-L1550 HydrophobicContact CG-CD1 4.41Å; K1543-L1550 HydrophobicContact CG-CD1 4.35Å; H1546-L1550 WeakPolarHBondContact O-CG 3.39Å; H1546-L1550 PolarHBondContact O-N 3.28Å; S1547-L1550 PolarHBondContact O-N 3.14Å; E1548-L1550 VanDerWaalsContact C-N 3.32Å; E1548-L1550 PolarHBondContact O-N 2.99Å
1551S77.3Confident77.3Confident12 Ų1258.9 Ų58.98%0.08432%0.322CS..Hα-helixtrans-76.7-33177.3490000112.8S1547 E1548 T1553S1547-S1551 WeakPolarHBondContact O-CB 3.35Å; S1547-S1551 PolarHBondContact O-N 3.49Å; S1547-S1551 PolarHBondContact O-OG 2.88Å; E1548-S1551 WeakPolarHBondContact CA-OG 3.49Å; E1548-S1551 PolarHBondContact O-N 3.28Å; E1548-S1551 PolarHBondContact O-OG 3.42Å; S1551-T1553 PolarHBondContact O-N 3.29Å; S1551-T1553 PolarHBondContact O-OG1 3.22Å
1552N74.3Confident76.7Confident72 Ų7259.2 Ų59.239%0.38534%0.336SS..  trans-64.9108.9176.8-170.9-17.3000111.3R1326 E1548 S1554R1326-N1552 PolarHBondContact NH2-O 3.44Å; E1548-N1552 WeakPolarHBondContact O-CB 3.24Å; E1548-N1552 PolarHBondContact O-N 2.82Å; N1552-S1554 VanDerWaalsContact C-N 3.31Å; N1552-S1554 PolarHBondContact O-N 3.01Å; N1552-S1554 WeakPolarHBondContact OD1-CB 3.12Å; N1552-S1554 PolarHBondContact OD1-N 3.26Å; N1552-S1554 PolarHBondContact OD1-OG 3.11Å
1553T66.6Low76.2Confident38 Ų3862.7 Ų62.723%0.23337%0.365CS..THydrogen-bonded Turntrans-81.3-8.4-174.3-58.90000113.2M1206 S1551M1206-T1553 HydrophobicContact CB-CG2 3.79Å; M1206-T1553 HydrophobicContact CG-CG2 4.34Å; M1206-T1553 HydrophobicContact SD-CG2 3.81Å; S1551-T1553 PolarHBondContact O-N 3.29Å; S1551-T1553 PolarHBondContact O-OG1 3.22Å
1554S71.2Confident75.6Confident83 Ų8362.1 Ų62.158%0.5836%0.363SS*.THydrogen-bonded Turntrans-72.2-29.6-177.765.10000114.5S1208 N1552S1208-S1554 WeakPolarHBondContact CB-O 3.28Å; N1552-S1554 VanDerWaalsContact C-N 3.31Å; N1552-S1554 PolarHBondContact O-N 3.01Å; N1552-S1554 WeakPolarHBondContact OD1-CB 3.12Å; N1552-S1554 PolarHBondContact OD1-N 3.26Å; N1552-S1554 PolarHBondContact OD1-OG 3.11Å
1555R71.3Confident75.1Confident135 Ų13563.5 Ų63.551%0.50936%0.363SS..SBendtrans-87.6142.1-178.3-64.4-178.7175.2-178.9-3.1111.1I1560R1555-I1560 HydrophobicContact CB-CD1 4.13Å; R1555-I1560 HydrophobicContact CB-CG1 3.92Å
1556K66.4Low74.7Confident92 Ų9263.3 Ų63.340%0.435%0.349SS..  trans-70.5151.3172.7-53.8166.6-176.1166.40109.5S1208 T1558 D1559 I1560S1208-K1556 WeakPolarHBondContact OG-CG 3.33Å; K1556-T1558 VanDerWaalsContact CB-OG1 3.3Å; K1556-T1558 WeakPolarHBondContact CB-OG1 3.5Å; K1556-T1558 PolarHBondContact O-N 3.21Å; K1556-D1559 HydrophobicContact CB-CB 4.48Å; K1556-D1559 VanDerWaalsContact CB-OD2 3.31Å; K1556-D1559 WeakPolarHBondContact CB-OD2 3.38Å; K1556-D1559 WeakPolarHBondContact CD-OD2 3.45Å; K1556-D1559 WeakPolarHBondContact CG-OD2 3.41Å; K1556-D1559 PolarHBondContact N-OD2 3.27Å; K1556-D1559 PolarHBondContact O-N 3.25Å; K1556-D1559 VanDerWaalsContact O-N 3.08Å; K1556-I1560 WeakPolarHBondContact O-CG1 3.22Å; K1556-I1560 PolarHBondContact O-N 3.46Å
1557L73.7Confident74.3Confident19 Ų1964.5 Ų64.510%0.09936%0.362CS..Hα-helixtrans-64.1-25.9174.9-93.371.8000113.3V1205 V1329 I1330 R1561V1205-L1557 HydrophobicContact CG1-CD1 4.33Å; V1205-L1557 HydrophobicContact CG1-CD2 3.78Å; V1329-L1557 HydrophobicContact CB-CD2 3.74Å; V1329-L1557 HydrophobicContact CG1-CD2 3.66Å; I1330-L1557 HydrophobicContact CG1-CD2 4.48Å; L1557-R1561 VanDerWaalsContact O-CB 3.24Å; L1557-R1561 WeakPolarHBondContact O-CB 3.28Å; L1557-R1561 PolarHBondContact O-N 2.87Å
1558T73.2Confident74.2Confident95 Ų9564.5 Ų64.558%0.58336%0.362SS*.Hα-helixtrans-59.7-48.1169.842.60000111.1K1556 R1561 S1562K1556-T1558 VanDerWaalsContact CB-OG1 3.3Å; K1556-T1558 WeakPolarHBondContact CB-OG1 3.5Å; K1556-T1558 PolarHBondContact O-N 3.21Å; T1558-R1561 CarbonylContact O-C 3.59Å; T1558-R1561 PolarHBondContact O-N 2.73Å; T1558-R1561 VanDerWaalsContact O-N 3.14Å; T1558-S1562 PolarHBondContact O-N 2.79Å; T1558-S1562 PolarHBondContact O-OG 2.82Å
1559D77.2Confident74Confident69 Ų6957.9 Ų57.937%0.36933%0.331SS..Hα-helixtrans-73.4-38.2-171.7-41.1-12.2000109.8K1556 S1562 A1563K1556-D1559 HydrophobicContact CB-CB 4.48Å; K1556-D1559 VanDerWaalsContact CB-OD2 3.31Å; K1556-D1559 WeakPolarHBondContact CB-OD2 3.38Å; K1556-D1559 WeakPolarHBondContact CD-OD2 3.45Å; K1556-D1559 WeakPolarHBondContact CG-OD2 3.41Å; K1556-D1559 PolarHBondContact N-OD2 3.27Å; K1556-D1559 PolarHBondContact O-N 3.25Å; K1556-D1559 VanDerWaalsContact O-N 3.08Å; D1559-S1562 WeakPolarHBondContact CA-OG 3.47Å; D1559-S1562 PolarHBondContact O-N 2.73Å; D1559-S1562 PolarHBondContact O-OG 3.44Å; D1559-A1563 VanDerWaalsContact O-CB 3.29Å; D1559-A1563 WeakPolarHBondContact O-CB 3.46Å; D1559-A1563 PolarHBondContact O-N 3.46Å
1560I76.3Confident73.9Confident1 Ų160.1 Ų60.11%0.00534%0.34CS..Hα-helixtrans-60.5-45.4168.8-63.3167.1000110.1I1330 S1549 R1555 K1556 S1562 A1563 V1564I1330-I1560 HydrophobicContact CD1-CG2 3.89Å; S1549-I1560 WeakPolarHBondContact O-CD1 3.49Å; R1555-I1560 HydrophobicContact CB-CD1 4.13Å; R1555-I1560 HydrophobicContact CB-CG1 3.92Å; K1556-I1560 WeakPolarHBondContact O-CG1 3.22Å; K1556-I1560 PolarHBondContact O-N 3.46Å; I1560-S1562 VanDerWaalsContact C-N 3.33Å; I1560-S1562 PolarHBondContact O-N 3.48Å; I1560-A1563 PolarHBondContact O-N 3.42Å; I1560-V1564 HydrophobicContact CG2-CG2 4.33Å; I1560-V1564 VanDerWaalsContact O-CG2 3.26Å; I1560-V1564 WeakPolarHBondContact O-CG2 3.37Å; I1560-V1564 PolarHBondContact O-N 2.89Å; I1560-V1564 VanDerWaalsContact O-N 3.12Å
1561R75.5Confident74.1Confident72 Ų7262.9 Ų62.927%0.27235%0.354SS..Hα-helixtrans-67.9-28.7-179.8-178.8171.5165.3164.7-15.9113.4I1330 N1333 L1557 T1558 L1566I1330-R1561 HydrophobicContact CG2-CB 4.38Å; I1330-R1561 HydrophobicContact CG2-CG 4.34Å; I1330-R1561 WeakPolarHBondContact O-CD 3.41Å; I1330-R1561 PolarHBondContact O-NH1 2.97Å; N1333-R1561 VanDerWaalsContact CG-NH2 3.33Å; N1333-R1561 VanDerWaalsContact OD1-CZ 3.3Å; N1333-R1561 PolarHBondContact OD1-NH1 2.92Å; N1333-R1561 PolarHBondContact OD1-NH2 2.93Å; L1557-R1561 VanDerWaalsContact O-CB 3.24Å; L1557-R1561 WeakPolarHBondContact O-CB 3.28Å; L1557-R1561 PolarHBondContact O-N 2.87Å; T1558-R1561 CarbonylContact O-C 3.59Å; T1558-R1561 PolarHBondContact O-N 2.73Å; T1558-R1561 VanDerWaalsContact O-N 3.14Å; R1561-L1566 HydrophobicContact CG-CD1 4.11Å; R1561-L1566 WeakPolarHBondContact O-CD1 3.42Å
1562S74.4Confident74.2Confident100 Ų10062.3 Ų62.370%0.69935%0.35SS*.Hα-helixtrans-80.5-23.2171.350.30000113.9T1558 D1559 I1560T1558-S1562 PolarHBondContact O-N 2.79Å; T1558-S1562 PolarHBondContact O-OG 2.82Å; D1559-S1562 WeakPolarHBondContact CA-OG 3.47Å; D1559-S1562 PolarHBondContact O-N 2.73Å; D1559-S1562 PolarHBondContact O-OG 3.44Å; I1560-S1562 VanDerWaalsContact C-N 3.33Å; I1560-S1562 PolarHBondContact O-N 3.48Å
1563A76.2Confident74.3Confident73 Ų7364.4 Ų64.460%0.60336%0.357SS*.Hα-helixtrans-88.2-5.217700000113.7D1559 I1560D1559-A1563 VanDerWaalsContact O-CB 3.29Å; D1559-A1563 WeakPolarHBondContact O-CB 3.46Å; D1559-A1563 PolarHBondContact O-N 3.46Å; I1560-A1563 PolarHBondContact O-N 3.42Å
1564V74.4Confident74.9Confident5 Ų564.8 Ų64.83%0.0336%0.362CS..SBendtrans-104.7117.6177.3168.20000108.7L1542 I1560 L1566 L1569L1542-V1564 HydrophobicContact CD1-CG1 4.14Å; L1542-V1564 HydrophobicContact CD1-CG2 4.34Å; I1560-V1564 HydrophobicContact CG2-CG2 4.33Å; I1560-V1564 VanDerWaalsContact O-CG2 3.26Å; I1560-V1564 WeakPolarHBondContact O-CG2 3.37Å; I1560-V1564 PolarHBondContact O-N 2.89Å; I1560-V1564 VanDerWaalsContact O-N 3.12Å; V1564-L1566 VanDerWaalsContact C-N 3.33Å; V1564-L1566 PolarHBondContact O-N 2.91Å; V1564-L1569 HydrophobicContact CG1-CD1 3.47Å; V1564-L1569 VanDerWaalsContact CG1-CD1 3.47Å; V1564-L1569 HydrophobicContact CG1-CG 4.34Å
1565D73Confident75.1Confident123 Ų12362.9 Ų62.966%0.65835%0.351SS*.  trans-65.886.7175-79.5-42.2000111.3P1567 S1568D1565-P1567 VanDerWaalsContact C-N 3.31Å; D1565-S1568 WeakPolarHBondContact O-CB 3.48Å; D1565-S1568 PolarHBondContact O-N 2.94Å; D1565-S1568 PolarHBondContact O-OG 2.97Å
1566L71.9Confident75.6Confident49 Ų4962.1 Ų62.126%0.25736%0.357SS..Hα-helixtrans-49.7-42.5178.7-79.6107.1000113.6R1561 V1564 S1568 L1569 Q1570R1561-L1566 HydrophobicContact CG-CD1 4.11Å; R1561-L1566 WeakPolarHBondContact O-CD1 3.42Å; V1564-L1566 VanDerWaalsContact C-N 3.33Å; V1564-L1566 PolarHBondContact O-N 2.91Å; L1566-S1568 PolarHBondContact O-N 3.4Å; L1566-L1569 PolarHBondContact O-N 3.46Å; L1566-Q1570 WeakPolarHBondContact O-CG 3.35Å; L1566-Q1570 PolarHBondContact O-N 3.24Å
1567P73.4Confident76.4Confident82 Ų8259.8 Ų59.853%0.53235%0.349SS..Hα-helixtrans-58.2-33.6177.3-25.536000113.5D1565 L1569 Q1570D1565-P1567 VanDerWaalsContact C-N 3.31Å; P1567-L1569 VanDerWaalsContact C-N 3.26Å; P1567-L1569 PolarHBondContact O-N 3.06Å; P1567-Q1570 PolarHBondContact O-N 3.22Å
1568S77Confident76.7Confident68 Ų6859 Ų5948%0.47635%0.345SS..Hα-helixtrans-69.9-23.1177.1800000113.1K1541 D1565 L1566K1541-S1568 PolarHBondContact NZ-O 3.02Å; D1565-S1568 WeakPolarHBondContact O-CB 3.48Å; D1565-S1568 PolarHBondContact O-N 2.94Å; D1565-S1568 PolarHBondContact O-OG 2.97Å; L1566-S1568 PolarHBondContact O-N 3.4Å
1569L74.3Confident76.9Confident8 Ų858.6 Ų58.64%0.04234%0.337CS..Hα-helixtrans-85.7-24.8177.1-65.6-179.8000112.8K1541 L1542 V1564 L1566 P1567 L1571K1541-L1569 HydrophobicContact CB-CD2 4.24Å; K1541-L1569 HydrophobicContact CD-CD2 3.88Å; K1541-L1569 HydrophobicContact CG-CD2 3.78Å; L1542-L1569 HydrophobicContact CB-CD1 4.29Å; L1542-L1569 HydrophobicContact CD1-CD1 4.01Å; V1564-L1569 HydrophobicContact CG1-CD1 3.47Å; V1564-L1569 VanDerWaalsContact CG1-CD1 3.47Å; V1564-L1569 HydrophobicContact CG1-CG 4.34Å; L1566-L1569 PolarHBondContact O-N 3.46Å; P1567-L1569 VanDerWaalsContact C-N 3.26Å; P1567-L1569 PolarHBondContact O-N 3.06Å; L1569-L1571 PolarHBondContact O-N 3.47Å
1570Q77.3Confident77.3Confident66 Ų6662.3 Ų62.331%0.30835%0.349SS..  trans-64.4127.3-174.4-72175.115.500112.2E1538 L1566 P1567E1538-Q1570 WeakPolarHBondContact OE1-CA 3.45Å; L1566-Q1570 WeakPolarHBondContact O-CG 3.35Å; L1566-Q1570 PolarHBondContact O-N 3.24Å; P1567-Q1570 PolarHBondContact O-N 3.22Å
1571L81.1Confident77.7Confident58 Ų5863.3 Ų63.330%0.30435%0.354SS..SBendtrans-93.8-4.2177.8-71.8170.3000114.3V1534 K1537 E1538 L1569 M1581V1534-L1571 HydrophobicContact CG1-CB 4.43Å; K1537-L1571 HydrophobicContact CB-CD1 3.43Å; K1537-L1571 VanDerWaalsContact CB-CD1 3.43Å; E1538-L1571 HydrophobicContact CG-CB 4.44Å; E1538-L1571 HydrophobicContact CG-CD1 3.94Å; E1538-L1571 HydrophobicContact CG-CG 4.07Å; E1538-L1571 PolarHBondContact OE1-N 3.23Å; L1569-L1571 PolarHBondContact O-N 3.47Å; L1571-M1581 HydrophobicContact CB-CE 4.23Å; L1571-M1581 HydrophobicContact CB-SD 4.49Å; L1571-M1581 HydrophobicContact CD1-CE 3.85Å
1572V80.1Confident77.9Confident0 Ų060.1 Ų60.10%034%0.343CS..  trans-143119.7-172-177.40000108.7R1334 L1338 Y1530 V1534 D1577 V1578 M1581R1334-V1572 PolarHBondContact NH1-O 2.9Å; R1334-V1572 PolarHBondContact NH2-O 3.03Å; L1338-V1572 HydrophobicContact CD2-CB 3.84Å; L1338-V1572 HydrophobicContact CD2-CG1 4.15Å; L1338-V1572 HydrophobicContact CD2-CG2 4.02Å; Y1530-V1572 WeakPolarHBondContact OH-CG1 3.1Å; Y1530-V1572 WeakPolarHBondContact OH-CG2 3.46Å; V1534-V1572 HydrophobicContact CG1-CG2 4.13Å; V1534-V1572 HydrophobicContact CG2-CG2 4.27Å; V1572-D1577 HydrophobicContact CB-CB 4.37Å; V1572-D1577 HydrophobicContact CG1-CB 4.15Å; V1572-V1578 HydrophobicContact CG1-CG2 3.94Å; V1572-M1581 HydrophobicContact CG2-CG 4.06Å
1573Q75.2Confident78.2Confident116 Ų11658.8 Ų58.854%0.54233%0.33SS..SBendtrans-133.5-34.8174.9-65.9-177.7-4.700111.9D1577Q1573-D1577 PolarHBondContact N-OD2 3.05Å
1574S79.2Confident78.6Confident47 Ų4757.2 Ų57.233%0.32932%0.317SS..SBendtrans-107.9166.117871.30000113N1576 D1577S1574-N1576 VanDerWaalsContact C-N 3.27Å; S1574-N1576 PolarHBondContact O-N 3.21Å; S1574-N1576 PolarHBondContact OG-N 3.29Å; S1574-D1577 WeakPolarHBondContact CB-OD2 3.43Å; S1574-D1577 PolarHBondContact N-OD2 3.28Å; S1574-D1577 PolarHBondContact O-N 3.24Å; S1574-D1577 PolarHBondContact OG-N 2.79Å; S1574-D1577 PolarHBondContact OG-OD2 3.06Å
1575A75.4Confident79.1Confident43 Ų4357.1 Ų57.136%0.35532%0.316SS..Hα-helixtrans-61.5-33.6172.300000112.8D1577 V1578A1575-D1577 VanDerWaalsContact C-N 3.3Å; A1575-D1577 PolarHBondContact O-N 2.97Å; A1575-V1578 VanDerWaalsContact O-CB 3.26Å; A1575-V1578 WeakPolarHBondContact O-CB 3.46Å; A1575-V1578 PolarHBondContact O-N 2.81Å; A1575-V1578 VanDerWaalsContact O-N 3.12Å
1576N82.5Confident79.2Confident119 Ų11952 Ų5264%0.63629%0.29SS*.Hα-helixtrans-68.6-29.5177.7-62.9-6000112S1574 V1578 K1580S1574-N1576 VanDerWaalsContact C-N 3.27Å; S1574-N1576 PolarHBondContact O-N 3.21Å; S1574-N1576 PolarHBondContact OG-N 3.29Å; N1576-V1578 VanDerWaalsContact C-N 3.27Å; N1576-V1578 PolarHBondContact O-N 2.86Å; N1576-K1580 WeakPolarHBondContact O-CB 3.31Å; N1576-K1580 PolarHBondContact O-N 2.86Å; N1576-K1580 VanDerWaalsContact O-N 3.11Å
1577D83.2Confident79.8Confident43 Ų4353 Ų5323%0.2330%0.298CS..Hα-helixtrans-69.2-27.1173.2-59.7-54.6000112.1V1572 Q1573 S1574 A1575 M1581V1572-D1577 HydrophobicContact CB-CB 4.37Å; V1572-D1577 HydrophobicContact CG1-CB 4.15Å; Q1573-D1577 PolarHBondContact N-OD2 3.05Å; S1574-D1577 WeakPolarHBondContact CB-OD2 3.43Å; S1574-D1577 PolarHBondContact N-OD2 3.28Å; S1574-D1577 PolarHBondContact O-N 3.24Å; S1574-D1577 PolarHBondContact OG-N 2.79Å; S1574-D1577 PolarHBondContact OG-OD2 3.06Å; A1575-D1577 VanDerWaalsContact C-N 3.3Å; A1575-D1577 PolarHBondContact O-N 2.97Å; D1577-M1581 WeakPolarHBondContact O-CB 3.12Å; D1577-M1581 VanDerWaalsContact O-CG 3.29Å; D1577-M1581 WeakPolarHBondContact O-CG 3.37Å; D1577-M1581 PolarHBondContact O-N 3.29Å
1578V79Confident80.1Confident3 Ų351.9 Ų51.92%0.01829%0.288CS..Hα-helixtrans-62.2-55.8174.2-175.30000109.2L1342 Y1530 V1572 A1575 N1576 K1580 M1581 E1582L1342-V1578 HydrophobicContact CD1-CG1 4.22Å; Y1530-V1578 HydrophobicContact CE1-CG1 4.48Å; Y1530-V1578 HydrophobicContact CE2-CG1 4.01Å; V1572-V1578 HydrophobicContact CG1-CG2 3.94Å; A1575-V1578 VanDerWaalsContact O-CB 3.26Å; A1575-V1578 WeakPolarHBondContact O-CB 3.46Å; A1575-V1578 PolarHBondContact O-N 2.81Å; A1575-V1578 VanDerWaalsContact O-N 3.12Å; N1576-V1578 VanDerWaalsContact C-N 3.27Å; N1576-V1578 PolarHBondContact O-N 2.86Å; V1578-K1580 VanDerWaalsContact C-N 3.35Å; V1578-K1580 PolarHBondContact O-N 3.01Å; V1578-M1581 CarbonylContact O-C 3.38Å; V1578-M1581 PolarHBondContact O-N 3.21Å; V1578-E1582 HydrophobicContact CG1-CG 4.4Å; V1578-E1582 WeakPolarHBondContact O-CG 3.38Å; V1578-E1582 PolarHBondContact O-N 2.99Å
1579E78.2Confident80.4Confident86 Ų8649.7 Ų49.740%0.40227%0.269SS..Hα-helixtrans-61.7-40.3-179.2-66.3171.6-166.400112.5K1345 M1581 E1582 T1583K1345-E1579 IonicContact NZ-OE1 3.4Å; K1345-E1579 PolarHBondContact NZ-OE1 3.27Å; E1579-M1581 VanDerWaalsContact C-N 3.29Å; E1579-M1581 PolarHBondContact O-N 2.81Å; E1579-E1582 PolarHBondContact O-N 2.82Å; E1579-T1583 WeakPolarHBondContact O-CB 3.44Å; E1579-T1583 WeakPolarHBondContact O-CG2 3.4Å; E1579-T1583 PolarHBondContact O-N 2.76Å; E1579-T1583 PolarHBondContact O-OG1 3.02Å
1580K84.8Confident80.5Confident146 Ų14654.3 Ų54.364%0.63529%0.291SS*.Hα-helixtrans-62.2-34.8174.2-176.7179.2176.5-1760112.8N1576 V1578 T1583 A1584N1576-K1580 WeakPolarHBondContact O-CB 3.31Å; N1576-K1580 PolarHBondContact O-N 2.86Å; N1576-K1580 VanDerWaalsContact O-N 3.11Å; V1578-K1580 VanDerWaalsContact C-N 3.35Å; V1578-K1580 PolarHBondContact O-N 3.01Å; K1580-T1583 WeakPolarHBondContact CA-OG1 3.26Å; K1580-T1583 PolarHBondContact O-OG1 2.97Å; K1580-T1583 VanDerWaalsContact O-OG1 3.1Å; K1580-A1584 WeakPolarHBondContact O-CB 3.48Å; K1580-A1584 PolarHBondContact O-N 2.8Å
1581M85.1Confident80.7Confident22 Ų2258.7 Ų58.711%0.10831%0.311CS..Hα-helixtrans-83.4-31.9176.1-72.1-64-72.100112.3Y1530 F1533 V1534 L1571 V1572 D1577 V1578 E1579 A1584 V1585Y1530-M1581 HydrophobicContact CD2-CB 4.46Å; Y1530-M1581 HydrophobicContact CE2-CB 3.74Å; F1533-M1581 HydrophobicContact CD1-CE 3.94Å; F1533-M1581 HydrophobicContact CE1-CE 3.91Å; V1534-M1581 HydrophobicContact CB-CE 4.37Å; V1534-M1581 HydrophobicContact CG2-CB 4.28Å; V1534-M1581 HydrophobicContact CG2-CE 3.75Å; L1571-M1581 HydrophobicContact CB-CE 4.23Å; L1571-M1581 HydrophobicContact CB-SD 4.49Å; L1571-M1581 HydrophobicContact CD1-CE 3.85Å; V1572-M1581 HydrophobicContact CG2-CG 4.06Å; D1577-M1581 WeakPolarHBondContact O-CB 3.12Å; D1577-M1581 VanDerWaalsContact O-CG 3.29Å; D1577-M1581 WeakPolarHBondContact O-CG 3.37Å; D1577-M1581 PolarHBondContact O-N 3.29Å; V1578-M1581 CarbonylContact O-C 3.38Å; V1578-M1581 PolarHBondContact O-N 3.21Å; E1579-M1581 VanDerWaalsContact C-N 3.29Å; E1579-M1581 PolarHBondContact O-N 2.81Å; M1581-A1584 PolarHBondContact O-N 3.28Å; M1581-V1585 WeakPolarHBondContact O-CB 3.42Å; M1581-V1585 WeakPolarHBondContact O-CG2 3.3Å; M1581-V1585 PolarHBondContact O-N 2.96Å
1582E80.2Confident80.5Confident6 Ų658.7 Ų58.73%0.02831%0.309CS..Hα-helixtrans-67.2-39.1173.1-72.8-168.510600112.6R1526 Y1530 V1578 E1579 V1585 S1586R1526-E1582 WeakPolarHBondContact CD-OE1 3.21Å; R1526-E1582 VanDerWaalsContact CG-OE1 3.28Å; R1526-E1582 WeakPolarHBondContact CG-OE1 3.2Å; R1526-E1582 IonicContact NE-OE1 3.02Å; Y1530-E1582 HydrophobicContact CD2-CG 3.39Å; Y1530-E1582 HydrophobicContact CE2-CG 3.78Å; Y1530-E1582 HydrophobicContact CG-CG 4.21Å; V1578-E1582 HydrophobicContact CG1-CG 4.4Å; V1578-E1582 WeakPolarHBondContact O-CG 3.38Å; V1578-E1582 PolarHBondContact O-N 2.99Å; E1579-E1582 PolarHBondContact O-N 2.82Å; E1582-V1585 WeakPolarHBondContact O-CB 3.34Å; E1582-V1585 PolarHBondContact O-N 2.95Å; E1582-S1586 PolarHBondContact O-N 3.34Å
1583T81.2Confident80.5Confident71 Ų7161.5 Ų61.544%0.43633%0.329SS..Hα-helixtrans-67.7-37.5171.548.80000112.5E1579 K1580 V1585 S1586 V1587E1579-T1583 WeakPolarHBondContact O-CB 3.44Å; E1579-T1583 WeakPolarHBondContact O-CG2 3.4Å; E1579-T1583 PolarHBondContact O-N 2.76Å; E1579-T1583 PolarHBondContact O-OG1 3.02Å; K1580-T1583 WeakPolarHBondContact CA-OG1 3.26Å; K1580-T1583 PolarHBondContact O-OG1 2.97Å; K1580-T1583 VanDerWaalsContact O-OG1 3.1Å; T1583-V1585 VanDerWaalsContact C-N 3.31Å; T1583-V1585 PolarHBondContact O-N 3.37Å; T1583-S1586 PolarHBondContact O-N 2.92Å; T1583-S1586 PolarHBondContact O-OG 2.96Å; T1583-V1587 WeakPolarHBondContact O-CG2 3.28Å; T1583-V1587 PolarHBondContact O-N 3.31Å
1584A85.2Confident80.5Confident40 Ų4057.6 Ų57.633%0.33131%0.314SS..Hα-helixtrans-62.8-37.5171.300000112.5F1533 K1580 M1581 D1588F1533-A1584 HydrophobicContact CE1-CB 4.27Å; K1580-A1584 WeakPolarHBondContact O-CB 3.48Å; K1580-A1584 PolarHBondContact O-N 2.8Å; M1581-A1584 PolarHBondContact O-N 3.28Å; A1584-D1588 PolarHBondContact O-N 2.85Å; A1584-D1588 VanDerWaalsContact O-N 3.15Å
1585V83.4Confident80.3Confident3 Ų358.2 Ų58.22%0.01832%0.322CS..Hα-helixtrans-67-41.8175.8166.80000112.3R1529 F1533 M1581 E1582 T1583 V1587 W1589R1529-V1585 HydrophobicContact CG-CG1 3.66Å; F1533-V1585 HydrophobicContact CB-CG2 3.49Å; F1533-V1585 VanDerWaalsContact CB-CG2 3.49Å; F1533-V1585 HydrophobicContact CD1-CG2 3.34Å; F1533-V1585 HydrophobicContact CD2-CG2 4.12Å; F1533-V1585 HydrophobicContact CE1-CG2 3.98Å; F1533-V1585 HydrophobicContact CG-CG2 3.4Å; F1533-V1585 VanDerWaalsContact CG-CG2 3.4Å; M1581-V1585 WeakPolarHBondContact O-CB 3.42Å; M1581-V1585 WeakPolarHBondContact O-CG2 3.3Å; M1581-V1585 PolarHBondContact O-N 2.96Å; E1582-V1585 WeakPolarHBondContact O-CB 3.34Å; E1582-V1585 PolarHBondContact O-N 2.95Å; T1583-V1585 VanDerWaalsContact C-N 3.31Å; T1583-V1585 PolarHBondContact O-N 3.37Å; V1585-V1587 VanDerWaalsContact C-N 3.34Å; V1585-W1589 PolarHBondContact O-N 3.47Å; V1585-W1589 VanDerWaalsContact O-N 3.13Å
1586S76.6Confident80.5Confident15 Ų1557.9 Ų57.911%0.10532%0.316CS..Hα-helixtrans-65.5-39.2179.3710000111.4E1582 T1583 W1589 Q1590E1582-S1586 PolarHBondContact O-N 3.34Å; T1583-S1586 PolarHBondContact O-N 2.92Å; T1583-S1586 PolarHBondContact O-OG 2.96Å; S1586-W1589 PolarHBondContact O-N 3.1Å; S1586-Q1590 WeakPolarHBondContact O-CB 3.36Å; S1586-Q1590 VanDerWaalsContact O-CG 3.31Å; S1586-Q1590 WeakPolarHBondContact O-CG 3.46Å; S1586-Q1590 PolarHBondContact O-N 3.07Å
1587V83Confident80.5Confident71 Ų7154.2 Ų54.243%0.4329%0.293SS..Hα-helixtrans-64.9-47175.8173.40000112.3T1583 V1585 W1589 Q1590 Q1591T1583-V1587 WeakPolarHBondContact O-CG2 3.28Å; T1583-V1587 PolarHBondContact O-N 3.31Å; V1585-V1587 VanDerWaalsContact C-N 3.34Å; V1587-W1589 VanDerWaalsContact C-N 3.25Å; V1587-W1589 PolarHBondContact O-N 3.05Å; V1587-Q1590 PolarHBondContact O-N 2.86Å; V1587-Q1591 WeakPolarHBondContact O-CG 3.12Å; V1587-Q1591 PolarHBondContact O-N 2.94Å; V1587-Q1591 VanDerWaalsContact O-N 3.08Å
1588D80.8Confident80.6Confident59 Ų5953.9 Ų53.932%0.31629%0.291SS..Hα-helixtrans-60.2-34.5176.1164.678.8000112.5F1533 A1584 K1592F1533-D1588 HydrophobicContact CE2-CB 3.96Å; A1584-D1588 PolarHBondContact O-N 2.85Å; A1584-D1588 VanDerWaalsContact O-N 3.15Å; D1588-K1592 WeakPolarHBondContact O-CD 3.37Å; D1588-K1592 WeakPolarHBondContact O-CE 3.36Å; D1588-K1592 PolarHBondContact O-NZ 2.88Å; D1588-K1592 IonicContact OD1-NZ 2.76Å; D1588-K1592 PolarHBondContact OD1-NZ 3.27Å; D1588-K1592 IonicContact OD2-NZ 3.52Å; D1588-K1592 PolarHBondContact OD2-NZ 2.81Å
1589W82.1Confident80.9Confident21 Ų2158.9 Ų58.98%0.0832%0.317CS..Hα-helixtrans-73.9-42.2174.3-177.384.4000112.5S1518 V1519 N1522 V1585 S1586 V1587 Q1591 K1592 R1597S1518-W1589 WeakPolarHBondContact OG-CH2 3.41Å; S1518-W1589 WeakPolarHBondContact OG-CZ2 3.45Å; V1519-W1589 HydrophobicContact CG2-CH2 3.79Å; V1519-W1589 HydrophobicContact CG2-CZ3 4.25Å; N1522-W1589 HydrophobicContact CB-CH2 4.27Å; N1522-W1589 HydrophobicContact CB-CZ2 3.77Å; N1522-W1589 VanDerWaalsContact ND2-CE3 3.31Å; N1522-W1589 WeakPolarHBondContact ND2-CZ2 3.46Å; N1522-W1589 WeakPolarHBondContact ND2-CZ3 3.31Å; V1585-W1589 PolarHBondContact O-N 3.47Å; V1585-W1589 VanDerWaalsContact O-N 3.13Å; S1586-W1589 PolarHBondContact O-N 3.1Å; V1587-W1589 VanDerWaalsContact C-N 3.25Å; V1587-W1589 PolarHBondContact O-N 3.05Å; W1589-Q1591 VanDerWaalsContact C-N 3.29Å; W1589-Q1591 PolarHBondContact O-N 2.86Å; W1589-K1592 PolarHBondContact O-N 3.44Å; W1589-R1597 HydrophobicContact CD2-CG 4.24Å; W1589-R1597 HydrophobicContact CH2-CB 4.49Å; W1589-R1597 HydrophobicContact CZ2-CB 3.73Å; W1589-R1597 HydrophobicContact CZ2-CG 4.17Å; W1589-R1597 PolarHBondContact NE1-O 3.2Å
1590Q77.5Confident81.1Confident106 Ų10657.1 Ų57.150%0.49531%0.31SS..Hα-helixtrans-62.7-31178.3-77.9-178.93.200113.2S1586 V1587 K1592 R1597S1586-Q1590 WeakPolarHBondContact O-CB 3.36Å; S1586-Q1590 VanDerWaalsContact O-CG 3.31Å; S1586-Q1590 WeakPolarHBondContact O-CG 3.46Å; S1586-Q1590 PolarHBondContact O-N 3.07Å; V1587-Q1590 PolarHBondContact O-N 2.86Å; Q1590-K1592 PolarHBondContact O-N 2.85Å; Q1590-R1597 PolarHBondContact O-NE 3.1Å; Q1590-R1597 PolarHBondContact O-NH2 2.88Å
1591Q80.8Confident81.1Confident157 Ų15750.1 Ų50.173%0.73428%0.28SS*.THydrogen-bonded Turntrans-67.6-12.5177.8-72.1177.915.400114.5V1587 W1589V1587-Q1591 WeakPolarHBondContact O-CG 3.12Å; V1587-Q1591 PolarHBondContact O-N 2.94Å; V1587-Q1591 VanDerWaalsContact O-N 3.08Å; W1589-Q1591 VanDerWaalsContact C-N 3.29Å; W1589-Q1591 PolarHBondContact O-N 2.86Å
1592K77.5Confident81.2Confident58 Ų5851.9 Ų51.925%0.25229%0.291SS..SBendtrans-88.3157.4-178.7-68.6155.1-167.2166.40111.5D1588 W1589 Q1590 R1597D1588-K1592 WeakPolarHBondContact O-CD 3.37Å; D1588-K1592 WeakPolarHBondContact O-CE 3.36Å; D1588-K1592 PolarHBondContact O-NZ 2.88Å; D1588-K1592 IonicContact OD1-NZ 2.76Å; D1588-K1592 PolarHBondContact OD1-NZ 3.27Å; D1588-K1592 IonicContact OD2-NZ 3.52Å; D1588-K1592 PolarHBondContact OD2-NZ 2.81Å; W1589-K1592 PolarHBondContact O-N 3.44Å; Q1590-K1592 PolarHBondContact O-N 2.85Å; K1592-R1597 HydrophobicContact CB-CG 4.17Å; K1592-R1597 PolarHBondContact O-NE 3.5Å; K1592-R1597 PolarHBondContact O-NH2 3.39Å
1593S80.2Confident81.4Confident60 Ų6055.7 Ų55.742%0.4232%0.315SS..  trans-70.8150.6179.166.20000111.5A1595 T1596 R1597S1593-A1595 VanDerWaalsContact C-N 3.31Å; S1593-A1595 PolarHBondContact O-N 2.84Å; S1593-A1595 VanDerWaalsContact O-N 3.16Å; S1593-T1596 PolarHBondContact N-OG1 3.05Å; S1593-T1596 VanDerWaalsContact N-OG1 3.12Å; S1593-T1596 CarbonylContact O-C 3.55Å; S1593-T1596 WeakPolarHBondContact O-CA 3.43Å; S1593-T1596 PolarHBondContact O-N 3.08Å; S1593-T1596 PolarHBondContact O-OG1 3.18Å; S1593-T1596 WeakPolarHBondContact OG-CG2 3.22Å; S1593-T1596 PolarHBondContact OG-OG1 3.01Å; S1593-R1597 PolarHBondContact O-N 3.48Å
1594S74.1Confident81.6Confident33 Ų3354 Ų5423%0.23130%0.304CS..Hα-helixtrans-51.2-43.8-175.454.70000114.1D1515 T1596 R1597 L1598D1515-S1594 WeakPolarHBondContact OD1-CA 3.44Å; D1515-S1594 WeakPolarHBondContact OD1-CB 3.48Å; S1594-T1596 PolarHBondContact O-N 3.39Å; S1594-R1597 WeakPolarHBondContact O-CB 3.38Å; S1594-R1597 PolarHBondContact O-N 2.9Å; S1594-L1598 PolarHBondContact O-N 2.98Å
1595A75.3Confident81.7Confident61 Ų6153.5 Ų53.550%0.50430%0.297SS..Hα-helixtrans-64.4-36.6175.300000113.4S1593 L1599S1593-A1595 VanDerWaalsContact C-N 3.31Å; S1593-A1595 PolarHBondContact O-N 2.84Å; S1593-A1595 VanDerWaalsContact O-N 3.16Å; A1595-L1599 PolarHBondContact O-N 3.4Å
1596T79.1Confident81.8Confident36 Ų3657.3 Ų57.322%0.22132%0.316CS..Hα-helixtrans-80.5-27.6176.458.80000112.6S1593 S1594 N1600S1593-T1596 PolarHBondContact N-OG1 3.05Å; S1593-T1596 VanDerWaalsContact N-OG1 3.12Å; S1593-T1596 CarbonylContact O-C 3.55Å; S1593-T1596 WeakPolarHBondContact O-CA 3.43Å; S1593-T1596 PolarHBondContact O-N 3.08Å; S1593-T1596 PolarHBondContact O-OG1 3.18Å; S1593-T1596 WeakPolarHBondContact OG-CG2 3.22Å; S1593-T1596 PolarHBondContact OG-OG1 3.01Å; S1594-T1596 PolarHBondContact O-N 3.39Å; T1596-N1600 WeakPolarHBondContact O-CB 3.21Å; T1596-N1600 VanDerWaalsContact O-CG 3.31Å; T1596-N1600 PolarHBondContact O-N 2.87Å; T1596-N1600 PolarHBondContact O-ND2 2.84Å
1597R83.2Confident82.2Confident41 Ų4156.8 Ų56.816%0.15531%0.313CS..Hα-helixtrans-59.9-48.5167.1-71.4-177.2-161.7150.8-5.2110.9D1515 W1589 Q1590 K1592 S1593 S1594 N1600 A1601D1515-R1597 IonicContact OD1-CZ 3.93Å; D1515-R1597 IonicContact OD1-NH1 3.73Å; D1515-R1597 PolarHBondContact OD1-NH1 2.89Å; D1515-R1597 IonicContact OD2-NH1 3.74Å; D1515-R1597 PolarHBondContact OD2-NH1 3.19Å; D1515-R1597 VanDerWaalsContact OD2-NH1 3.1Å; W1589-R1597 HydrophobicContact CD2-CG 4.24Å; W1589-R1597 HydrophobicContact CH2-CB 4.49Å; W1589-R1597 HydrophobicContact CZ2-CB 3.73Å; W1589-R1597 HydrophobicContact CZ2-CG 4.17Å; W1589-R1597 PolarHBondContact NE1-O 3.2Å; Q1590-R1597 PolarHBondContact O-NE 3.1Å; Q1590-R1597 PolarHBondContact O-NH2 2.88Å; K1592-R1597 HydrophobicContact CB-CG 4.17Å; K1592-R1597 PolarHBondContact O-NE 3.5Å; K1592-R1597 PolarHBondContact O-NH2 3.39Å; S1593-R1597 PolarHBondContact O-N 3.48Å; S1594-R1597 WeakPolarHBondContact O-CB 3.38Å; S1594-R1597 PolarHBondContact O-N 2.9Å; R1597-N1600 PolarHBondContact O-N 2.97Å; R1597-A1601 WeakPolarHBondContact O-CB 3.46Å; R1597-A1601 PolarHBondContact O-N 2.96Å
1598L86.2Confident82.2Confident36 Ų3654.9 Ų54.919%0.18831%0.305CS..Hα-helixtrans-62.3-48.9177.6-17961.1000111.6L1514 C1517 L1521 S1594 N1600 A1601 V1602L1514-L1598 HydrophobicContact CD2-CD2 3.61Å; C1517-L1598 HydrophobicContact CB-CD1 4.31Å; L1521-L1598 HydrophobicContact CD1-CD1 3.73Å; S1594-L1598 PolarHBondContact O-N 2.98Å; L1598-N1600 VanDerWaalsContact C-N 3.34Å; L1598-N1600 PolarHBondContact O-N 2.89Å; L1598-A1601 PolarHBondContact O-N 3.19Å; L1598-A1601 VanDerWaalsContact O-N 3.12Å; L1598-V1602 HydrophobicContact CD1-CG2 4.36Å; L1598-V1602 WeakPolarHBondContact O-CG2 3.4Å; L1598-V1602 PolarHBondContact O-N 3.22Å
1599L83.9Confident82.4Confident109 Ų10955.5 Ų55.557%0.57131%0.306SS*.Hα-helixtrans-59.5-43.8178.1-176.563.1000112.1A1595 V1602 V1603A1595-L1599 PolarHBondContact O-N 3.4Å; L1599-V1602 PolarHBondContact O-N 3.3Å; L1599-V1603 WeakPolarHBondContact O-CG2 3.48Å; L1599-V1603 PolarHBondContact O-N 2.91Å
1600N83.2Confident82.7Confident48 Ų4855 Ų5526%0.25731%0.305SS..Hα-helixtrans-65.8-36.2175.3-75.1-54.1000112.3T1596 R1597 L1598 N1604T1596-N1600 WeakPolarHBondContact O-CB 3.21Å; T1596-N1600 VanDerWaalsContact O-CG 3.31Å; T1596-N1600 PolarHBondContact O-N 2.87Å; T1596-N1600 PolarHBondContact O-ND2 2.84Å; R1597-N1600 PolarHBondContact O-N 2.97Å; L1598-N1600 VanDerWaalsContact C-N 3.34Å; L1598-N1600 PolarHBondContact O-N 2.89Å; N1600-N1604 VanDerWaalsContact O-CB 3.26Å; N1600-N1604 WeakPolarHBondContact O-CB 3.43Å; N1600-N1604 PolarHBondContact O-N 3.41Å; N1600-N1604 PolarHBondContact O-ND2 3.38Å
1601A85.2Confident83.2Confident0 Ų052.1 Ų52.10%029%0.293CS..Hα-helixtrans-65.8-42.7175.400000111.8L1521 N1522 R1597 L1598 N1604 C1605L1521-A1601 HydrophobicContact CB-CB 3.83Å; N1522-A1601 HydrophobicContact CB-CB 4.31Å; R1597-A1601 WeakPolarHBondContact O-CB 3.46Å; R1597-A1601 PolarHBondContact O-N 2.96Å; L1598-A1601 PolarHBondContact O-N 3.19Å; L1598-A1601 VanDerWaalsContact O-N 3.12Å; A1601-N1604 PolarHBondContact O-N 3.05Å; A1601-C1605 WeakPolarHBondContact O-CB 3.43Å; A1601-C1605 PolarHBondContact O-N 3.29Å
1602V86Confident83.4Confident58 Ų5848.8 Ų48.835%0.35228%0.279SS..Hα-helixtrans-63-46.8174.9173.10000111.5L1521 L1598 L1599 N1604 C1605 I1606L1521-V1602 HydrophobicContact CD1-CG2 3.77Å; L1598-V1602 HydrophobicContact CD1-CG2 4.36Å; L1598-V1602 WeakPolarHBondContact O-CG2 3.4Å; L1598-V1602 PolarHBondContact O-N 3.22Å; L1599-V1602 PolarHBondContact O-N 3.3Å; V1602-N1604 VanDerWaalsContact C-N 3.33Å; V1602-N1604 PolarHBondContact O-N 2.96Å; V1602-C1605 WeakPolarHBondContact O-CB 3.32Å; V1602-C1605 PolarHBondContact O-N 2.8Å; V1602-I1606 HydrophobicContact CG1-CD1 3.97Å; V1602-I1606 WeakPolarHBondContact O-CG1 3.27Å; V1602-I1606 PolarHBondContact O-N 3.19Å
1603V84.9Confident83.8Confident86 Ų8648.8 Ų48.852%0.52128%0.282SS..Hα-helixtrans-63.5-39.3177.8171.60000111.5L1599 G1607L1599-V1603 WeakPolarHBondContact O-CG2 3.48Å; L1599-V1603 PolarHBondContact O-N 2.91Å; V1603-G1607 PolarHBondContact O-N 3.09Å
1604N85.4Confident84.3Confident37 Ų3746 Ų4620%0.19826%0.262CS..Hα-helixtrans-67.9-33174.6-74.8-23.2000112.7C1525 H1528 N1600 A1601 V1602 G1607 A1608C1525-N1604 HydrophobicContact CB-CB 4.04Å; H1528-N1604 PolarHBondContact ND1-O 3.12Å; N1600-N1604 VanDerWaalsContact O-CB 3.26Å; N1600-N1604 WeakPolarHBondContact O-CB 3.43Å; N1600-N1604 PolarHBondContact O-N 3.41Å; N1600-N1604 PolarHBondContact O-ND2 3.38Å; A1601-N1604 PolarHBondContact O-N 3.05Å; V1602-N1604 VanDerWaalsContact C-N 3.33Å; V1602-N1604 PolarHBondContact O-N 2.96Å; N1604-G1607 PolarHBondContact O-N 3.09Å; N1604-A1608 WeakPolarHBondContact O-CB 3.45Å; N1604-A1608 PolarHBondContact O-N 3.39Å
1605C87.4Confident85.1Confident28 Ų2844.6 Ų44.619%0.18925%0.252CS..Hα-helixtrans-67.7-47.6177-171.50000111.4C1525 A1601 V1602 G1607 A1608 H1609C1525-C1605 WeakPolarHBondContact SG-CA 3.34Å; C1525-C1605 VanDerWaalsContact SG-CB 3.5Å; C1525-C1605 PolarHBondContact SG-N 2.9Å; A1601-C1605 WeakPolarHBondContact O-CB 3.43Å; A1601-C1605 PolarHBondContact O-N 3.29Å; V1602-C1605 WeakPolarHBondContact O-CB 3.32Å; V1602-C1605 PolarHBondContact O-N 2.8Å; C1605-G1607 VanDerWaalsContact C-N 3.28Å; C1605-G1607 PolarHBondContact O-N 3.12Å; C1605-A1608 PolarHBondContact O-N 3.21Å; C1605-H1609 PolarHBondContact O-N 3.05Å; C1605-H1609 VanDerWaalsContact O-N 3.08Å
1606I86.4Confident85.7Confident83 Ų8345.7 Ų45.743%0.42625%0.246SC..Hα-helixtrans-61.5-38.5174.5-66168.1000110.6V1602 T1610 L1613 F1718V1602-I1606 HydrophobicContact CG1-CD1 3.97Å; V1602-I1606 WeakPolarHBondContact O-CG1 3.27Å; V1602-I1606 PolarHBondContact O-N 3.19Å; I1606-T1610 WeakPolarHBondContact O-CG2 3.47Å; I1606-L1613 HydrophobicContact CG2-CD1 4.07Å; I1606-F1718 HydrophobicContact CG2-CE1 4.2Å
1607G83.8Confident86.3Confident4 Ų446.1 Ų46.14%0.04125%0.245CC..Hα-helixtrans-67.1-36.1174.700000114.2V1603 N1604 C1605V1603-G1607 PolarHBondContact O-N 3.09Å; N1604-G1607 PolarHBondContact O-N 3.09Å; C1605-G1607 VanDerWaalsContact C-N 3.28Å; C1605-G1607 PolarHBondContact O-N 3.12Å
1608A83.5Confident86.7Confident31 Ų3144.2 Ų44.226%0.25624%0.237SC..Hα-helixtrans-70.1-45.6179.400000112.9H1528 N1604 C1605H1528-A1608 HydrophobicContact CB-CB 3.66Å; N1604-A1608 WeakPolarHBondContact O-CB 3.45Å; N1604-A1608 PolarHBondContact O-N 3.39Å; C1605-A1608 PolarHBondContact O-N 3.21Å
1609H85.1Confident86.9Confident72 Ų7242.6 Ų42.633%0.33323%0.229SC..THydrogen-bonded Turntrans-106.338.5-170.3-61.5-59.9000113.7C1605 D1611 I1612 L1613C1605-H1609 PolarHBondContact O-N 3.05Å; C1605-H1609 VanDerWaalsContact O-N 3.08Å; H1609-D1611 PolarHBondContact O-N 3.09Å; H1609-I1612 HydrophobicContact CB-CD1 4.32Å; H1609-I1612 PolarHBondContact O-N 3.47Å; H1609-L1613 WeakPolarHBondContact O-CG 3.47Å; H1609-L1613 PolarHBondContact O-N 3.27Å
1610T88.8Confident87.1Confident10 Ų1038.2 Ų38.26%0.06121%0.205CC..Hα-helixtrans-65.6-24179.7450000114.1I1606 C1614 F1718 H1719 M1722I1606-T1610 WeakPolarHBondContact O-CG2 3.47Å; T1610-C1614 PolarHBondContact O-N 3.01Å; T1610-C1614 PolarHBondContact O-SG 2.89Å; T1610-F1718 HydrophobicContact CG2-CD1 3.63Å; T1610-F1718 HydrophobicContact CG2-CE1 3.42Å; T1610-F1718 VanDerWaalsContact CG2-CE1 3.42Å; T1610-F1718 HydrophobicContact CG2-CZ 4.49Å; T1610-H1719 WeakPolarHBondContact CB-ND1 3.49Å; T1610-H1719 PolarHBondContact OG1-ND1 3.19Å; T1610-M1722 HydrophobicContact CG2-CG 4.14Å
1611D86.8Confident87.3Confident46 Ų4635.9 Ų35.925%0.24619%0.193CC..Hα-helixtrans-70.8-48.5174.859.1-26.1000112H1609 L1613 C1614 Y1615 W1653H1609-D1611 PolarHBondContact O-N 3.09Å; D1611-L1613 VanDerWaalsContact C-N 3.27Å; D1611-L1613 PolarHBondContact O-N 3.4Å; D1611-C1614 WeakPolarHBondContact O-CB 3.3Å; D1611-C1614 PolarHBondContact O-N 3.32Å; D1611-C1614 VanDerWaalsContact O-N 3.1Å; D1611-Y1615 PolarHBondContact O-N 3.27Å; D1611-W1653 HydrophobicContact CB-CH2 4.09Å; D1611-W1653 HydrophobicContact CB-CZ2 4.02Å
1612I85Confident87.5Confident87 Ų8736 Ų3645%0.44619%0.193SC..Hα-helixtrans-60.7-39176-60.6175.4000110.5H1609 Y1615 F1616H1609-I1612 HydrophobicContact CB-CD1 4.32Å; H1609-I1612 PolarHBondContact O-N 3.47Å; I1612-Y1615 PolarHBondContact O-N 3.4Å; I1612-F1616 WeakPolarHBondContact O-CB 3.22Å; I1612-F1616 PolarHBondContact O-N 3.02Å
1613L86Confident87.6Confident59 Ų5933.5 Ų33.531%0.30918%0.179SC..Hα-helixtrans-61.4-42.6173.8-71.2171.9000112.2I1606 H1609 D1611 Y1615 F1616 F1617I1606-L1613 HydrophobicContact CG2-CD1 4.07Å; H1609-L1613 WeakPolarHBondContact O-CG 3.47Å; H1609-L1613 PolarHBondContact O-N 3.27Å; D1611-L1613 VanDerWaalsContact C-N 3.27Å; D1611-L1613 PolarHBondContact O-N 3.4Å; L1613-Y1615 PolarHBondContact O-N 3.3Å; L1613-F1616 PolarHBondContact O-N 3.17Å; L1613-F1617 HydrophobicContact CB-CE2 4.39Å; L1613-F1617 WeakPolarHBondContact O-CD2 3.5Å; L1613-F1617 PolarHBondContact O-N 2.86Å
1614C91.3Very high87.5Confident0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-62.4-42.9175.3-67.40000112T1610 D1611 F1617 A1618 W1653 M1656 L1712 S1715 L1716T1610-C1614 PolarHBondContact O-N 3.01Å; T1610-C1614 PolarHBondContact O-SG 2.89Å; D1611-C1614 WeakPolarHBondContact O-CB 3.3Å; D1611-C1614 PolarHBondContact O-N 3.32Å; D1611-C1614 VanDerWaalsContact O-N 3.1Å; C1614-F1617 PolarHBondContact O-N 3.34Å; C1614-A1618 WeakPolarHBondContact O-CB 3.39Å; C1614-A1618 PolarHBondContact O-N 3.27Å; C1614-W1653 HydrophobicContact CB-CH2 4.01Å; C1614-W1653 HydrophobicContact CB-CZ3 3.7Å; C1614-M1656 HydrophobicContact CB-CE 4.38Å; C1614-L1712 WeakPolarHBondContact O-CD1 3.29Å; C1614-S1715 PolarHBondContact SG-OG 2.95Å; C1614-L1716 HydrophobicContact CB-CD2 4.3Å
1615Y90.3Very high87.3Confident4 Ų431.5 Ų31.52%0.01616%0.164CC..Hα-helixtrans-64.7-41.6176.7-57.5-26.1000112D1611 I1612 L1613 A1618 I1619 G1641 N1642 P1648 F1652 W1653 M1656 L1941D1611-Y1615 PolarHBondContact O-N 3.27Å; I1612-Y1615 PolarHBondContact O-N 3.4Å; L1613-Y1615 PolarHBondContact O-N 3.3Å; Y1615-A1618 PolarHBondContact O-N 3.01Å; Y1615-I1619 WeakPolarHBondContact O-CD1 3.39Å; Y1615-I1619 WeakPolarHBondContact O-CG1 3.48Å; Y1615-I1619 PolarHBondContact O-N 3.2Å; Y1615-G1641 VanDerWaalsContact OH-C 3.25Å; Y1615-G1641 WeakPolarHBondContact OH-CA 3.43Å; Y1615-G1641 PolarHBondContact OH-O 3.41Å; Y1615-N1642 HydrophobicContact CE2-CB 4.23Å; Y1615-P1648 WeakPolarHBondContact OH-CG 3.48Å; Y1615-F1652 AromaticContact CE1-CE1 3.9Å; Y1615-F1652 HydrophobicContact CE1-CE1 3.9Å; Y1615-F1652 AromaticContact CE1-CZ 3.81Å; Y1615-F1652 HydrophobicContact CE1-CZ 3.81Å; Y1615-W1653 HydrophobicContact CD1-CH2 4.47Å; Y1615-W1653 AromaticContact CE1-CH2 3.77Å; Y1615-W1653 HydrophobicContact CE1-CH2 3.77Å; Y1615-W1653 HydrophobicContact CE1-CZ2 4.31Å; Y1615-M1656 HydrophobicContact CD1-CE 4.42Å; Y1615-M1656 HydrophobicContact CE1-CE 4.48Å; Y1615-L1941 HydrophobicContact CD2-CD2 4.27Å
1616F88.2Confident86.7Confident85 Ų8531 Ų3137%0.37316%0.163SC..Hα-helixtrans-59.5-47.4174.8179.1-98.8000111.5I1612 L1613 A1618 I1619 M1620I1612-F1616 WeakPolarHBondContact O-CB 3.22Å; I1612-F1616 PolarHBondContact O-N 3.02Å; L1613-F1616 PolarHBondContact O-N 3.17Å; F1616-A1618 VanDerWaalsContact C-N 3.35Å; F1616-A1618 PolarHBondContact O-N 3.49Å; F1616-I1619 PolarHBondContact O-N 2.8Å; F1616-M1620 HydrophobicContact CD1-CG 3.97Å; F1616-M1620 HydrophobicContact CD2-CE 4.17Å; F1616-M1620 HydrophobicContact CE1-CE 4.42Å; F1616-M1620 HydrophobicContact CE1-CG 3.56Å; F1616-M1620 HydrophobicContact CE1-SD 4.01Å; F1616-M1620 HydrophobicContact CE2-CE 3.59Å; F1616-M1620 HydrophobicContact CE2-CG 4.38Å; F1616-M1620 HydrophobicContact CE2-SD 4.13Å; F1616-M1620 HydrophobicContact CZ-CE 3.73Å; F1616-M1620 HydrophobicContact CZ-CG 3.79Å; F1616-M1620 HydrophobicContact CZ-SD 3.61Å; F1616-M1620 WeakPolarHBondContact O-CG 3.48Å; F1616-M1620 PolarHBondContact O-N 3.06Å
1617F91.2Very high86.4Confident45 Ų4527 Ų2720%0.19714%0.143CC..Hα-helixtrans-67.9-30.4177.4-67.6-54.9000113.4L1613 C1614 M1620 T1621 V1711 L1712 S1715L1613-F1617 HydrophobicContact CB-CE2 4.39Å; L1613-F1617 WeakPolarHBondContact O-CD2 3.5Å; L1613-F1617 PolarHBondContact O-N 2.86Å; C1614-F1617 PolarHBondContact O-N 3.34Å; F1617-M1620 PolarHBondContact O-N 3.42Å; F1617-T1621 WeakPolarHBondContact O-CB 3.24Å; F1617-T1621 PolarHBondContact O-N 3.08Å; F1617-T1621 PolarHBondContact O-OG1 3Å; F1617-V1711 HydrophobicContact CD1-CG1 3.69Å; F1617-V1711 HydrophobicContact CD2-CG1 4.38Å; F1617-V1711 HydrophobicContact CE1-CG1 3.63Å; F1617-V1711 HydrophobicContact CE2-CG1 4.32Å; F1617-V1711 HydrophobicContact CG-CG1 4.09Å; F1617-V1711 HydrophobicContact CZ-CG1 3.96Å; F1617-L1712 HydrophobicContact CB-CB 4.18Å; F1617-L1712 HydrophobicContact CB-CD1 3.91Å; F1617-S1715 WeakPolarHBondContact CD2-OG 3.41Å
1618A91.2Very high86.4Confident0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-63.5-42.7170.800000111.9C1614 Y1615 F1616 T1621 Q1622 L1633 L1712C1614-A1618 WeakPolarHBondContact O-CB 3.39Å; C1614-A1618 PolarHBondContact O-N 3.27Å; Y1615-A1618 PolarHBondContact O-N 3.01Å; F1616-A1618 VanDerWaalsContact C-N 3.35Å; F1616-A1618 PolarHBondContact O-N 3.49Å; A1618-T1621 PolarHBondContact O-N 3.27Å; A1618-Q1622 PolarHBondContact O-N 3.38Å; A1618-L1633 HydrophobicContact CB-CB 4.2Å; A1618-L1712 HydrophobicContact CB-CD1 4.35Å; A1618-L1712 HydrophobicContact CB-CD2 4.33Å
1619I90.5Very high86.6Confident2 Ų231.1 Ų31.11%0.0116%0.159CC..Hα-helixtrans-65.8-45.7174.5-66.5160.9000110.8Y1615 F1616 T1621 Q1622 V1623 P1634 Y1933 L1941Y1615-I1619 WeakPolarHBondContact O-CD1 3.39Å; Y1615-I1619 WeakPolarHBondContact O-CG1 3.48Å; Y1615-I1619 PolarHBondContact O-N 3.2Å; F1616-I1619 PolarHBondContact O-N 2.8Å; I1619-T1621 VanDerWaalsContact C-N 3.32Å; I1619-T1621 PolarHBondContact O-N 2.99Å; I1619-Q1622 PolarHBondContact O-N 2.88Å; I1619-V1623 VanDerWaalsContact O-CG2 3.3Å; I1619-V1623 WeakPolarHBondContact O-CG2 3.28Å; I1619-V1623 PolarHBondContact O-N 2.59Å; I1619-V1623 VanDerWaalsContact O-N 3.08Å; I1619-P1634 HydrophobicContact CG1-CB 4.18Å; I1619-Y1933 HydrophobicContact CG2-CD1 4.45Å; I1619-Y1933 HydrophobicContact CG2-CE1 3.97Å; I1619-L1941 HydrophobicContact CD1-CD1 3.8Å; I1619-L1941 HydrophobicContact CD1-CG 4.44Å
1620M88.2Confident86.8Confident17 Ų1727.8 Ų27.88%0.08414%0.144CC..Hα-helixtrans-58.6-41.6175.3-68.4-56.397.800112.3F1616 F1617 Q1622 V1623 M1624 W1708 V1934F1616-M1620 HydrophobicContact CD1-CG 3.97Å; F1616-M1620 HydrophobicContact CD2-CE 4.17Å; F1616-M1620 HydrophobicContact CE1-CE 4.42Å; F1616-M1620 HydrophobicContact CE1-CG 3.56Å; F1616-M1620 HydrophobicContact CE1-SD 4.01Å; F1616-M1620 HydrophobicContact CE2-CE 3.59Å; F1616-M1620 HydrophobicContact CE2-CG 4.38Å; F1616-M1620 HydrophobicContact CE2-SD 4.13Å; F1616-M1620 HydrophobicContact CZ-CE 3.73Å; F1616-M1620 HydrophobicContact CZ-CG 3.79Å; F1616-M1620 HydrophobicContact CZ-SD 3.61Å; F1616-M1620 WeakPolarHBondContact O-CG 3.48Å; F1616-M1620 PolarHBondContact O-N 3.06Å; F1617-M1620 PolarHBondContact O-N 3.42Å; M1620-Q1622 VanDerWaalsContact C-N 3.33Å; M1620-Q1622 PolarHBondContact O-N 3.18Å; M1620-V1623 PolarHBondContact O-N 3.37Å; M1620-V1623 VanDerWaalsContact O-N 3.16Å; M1620-M1624 VanDerWaalsContact O-CG 3.29Å; M1620-M1624 WeakPolarHBondContact O-CG 3.47Å; M1620-M1624 PolarHBondContact O-N 3.41Å; M1620-W1708 HydrophobicContact CB-CE3 4.14Å; M1620-W1708 HydrophobicContact CB-CZ3 4.31Å; M1620-V1934 HydrophobicContact CE-CB 4.28Å; M1620-V1934 HydrophobicContact CE-CG1 3.75Å; M1620-V1934 HydrophobicContact CE-CG2 3.49Å; M1620-V1934 VanDerWaalsContact CE-CG2 3.49Å
1621T89Confident86.7Confident0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-59.9-44.9-179.8-58.70000110.6F1617 A1618 I1619 T1625 T1630 L1633 W1708 D1709F1617-T1621 WeakPolarHBondContact O-CB 3.24Å; F1617-T1621 PolarHBondContact O-N 3.08Å; F1617-T1621 PolarHBondContact O-OG1 3Å; A1618-T1621 PolarHBondContact O-N 3.27Å; I1619-T1621 VanDerWaalsContact C-N 3.32Å; I1619-T1621 PolarHBondContact O-N 2.99Å; T1621-T1625 WeakPolarHBondContact O-CB 3.1Å; T1621-T1625 WeakPolarHBondContact O-CG2 3.38Å; T1621-T1625 PolarHBondContact O-N 3.44Å; T1621-T1625 VanDerWaalsContact O-N 3.16Å; T1621-T1625 PolarHBondContact O-OG1 2.9Å; T1621-T1630 HydrophobicContact CG2-CG2 3.99Å; T1621-L1633 HydrophobicContact CG2-CD1 4.25Å; T1621-W1708 HydrophobicContact CG2-CB 4.47Å; T1621-D1709 WeakPolarHBondContact CG2-OD1 3.31Å
1622Q89.4Confident86.9Confident1 Ų128.9 Ų28.91%0.00515%0.151CC..Hα-helixtrans-64.3-40.8174.6-178.160.916.800112.7A1618 I1619 M1620 M1624 G1626 G1627 T1630 P1634 F1912A1618-Q1622 PolarHBondContact O-N 3.38Å; I1619-Q1622 PolarHBondContact O-N 2.88Å; M1620-Q1622 VanDerWaalsContact C-N 3.33Å; M1620-Q1622 PolarHBondContact O-N 3.18Å; Q1622-M1624 VanDerWaalsContact C-N 3.35Å; Q1622-M1624 PolarHBondContact O-N 3.3Å; Q1622-G1626 WeakPolarHBondContact O-CA 3.37Å; Q1622-G1626 PolarHBondContact O-N 3.34Å; Q1622-G1627 PolarHBondContact NE2-O 3Å; Q1622-G1627 PolarHBondContact OE1-O 3.38Å; Q1622-G1627 VanDerWaalsContact OE1-O 3.1Å; Q1622-T1630 PolarHBondContact OE1-O 3.01Å; Q1622-T1630 PolarHBondContact OE1-OG1 3.36Å; Q1622-P1634 HydrophobicContact CB-CG 3.85Å; Q1622-P1634 HydrophobicContact CG-CG 4.05Å; Q1622-F1912 HydrophobicContact CG-CE1 4.35Å; Q1622-F1912 HydrophobicContact CG-CE2 3.99Å; Q1622-F1912 HydrophobicContact CG-CZ 3.6Å
1623V86.9Confident87.1Confident7 Ų724.7 Ų24.74%0.04213%0.13CC..Hα-helixtrans-62.2-41-179.4168.60000112.4I1619 M1620 Q1930 Y1933 V1934I1619-V1623 VanDerWaalsContact O-CG2 3.3Å; I1619-V1623 WeakPolarHBondContact O-CG2 3.28Å; I1619-V1623 PolarHBondContact O-N 2.59Å; I1619-V1623 VanDerWaalsContact O-N 3.08Å; M1620-V1623 PolarHBondContact O-N 3.37Å; M1620-V1623 VanDerWaalsContact O-N 3.16Å; V1623-Q1930 HydrophobicContact CG1-CB 3.82Å; V1623-Q1930 HydrophobicContact CG1-CG 3.89Å; V1623-Y1933 HydrophobicContact CG2-CD1 3.32Å; V1623-Y1933 HydrophobicContact CG2-CE1 3.61Å; V1623-Y1933 HydrophobicContact CG2-CG 4.38Å; V1623-V1934 HydrophobicContact CG1-CG2 4.31Å; V1623-V1934 HydrophobicContact CG2-CG2 3.7Å
1624M83.7Confident87.2Confident67 Ų6721.9 Ų21.933%0.3312%0.115SC..Hα-helixtrans-85.3-26-173.4-62.8-69.8171.300113.2M1620 Q1622 W1708M1620-M1624 VanDerWaalsContact O-CG 3.29Å; M1620-M1624 WeakPolarHBondContact O-CG 3.47Å; M1620-M1624 PolarHBondContact O-N 3.41Å; Q1622-M1624 VanDerWaalsContact C-N 3.35Å; Q1622-M1624 PolarHBondContact O-N 3.3Å; M1624-W1708 HydrophobicContact CB-CG 4.18Å; M1624-W1708 HydrophobicContact CE-CZ2 4.24Å; M1624-W1708 HydrophobicContact CG-CD2 4.19Å; M1624-W1708 HydrophobicContact CG-CG 4.21Å; M1624-W1708 HydrophobicContact CG-CZ2 4.29Å; M1624-W1708 HydrophobicContact SD-CZ2 4.5Å
1625T79.8Confident87Confident14 Ų1424.1 Ų24.19%0.08613%0.127CC..Hα-helixtrans-103.7-25.3-177.962.60000113.5T1621 G1627 T1630 I1924T1621-T1625 WeakPolarHBondContact O-CB 3.1Å; T1621-T1625 WeakPolarHBondContact O-CG2 3.38Å; T1621-T1625 PolarHBondContact O-N 3.44Å; T1621-T1625 VanDerWaalsContact O-N 3.16Å; T1621-T1625 PolarHBondContact O-OG1 2.9Å; T1625-G1627 PolarHBondContact O-N 3.24Å; T1625-T1630 WeakPolarHBondContact OG1-CG2 3.44Å; T1625-T1630 PolarHBondContact OG1-OG1 3.06Å; T1625-T1630 VanDerWaalsContact OG1-OG1 3.08Å; T1625-I1924 WeakPolarHBondContact O-CD1 3.38Å
1626G75.5Confident87Confident16 Ų1625.5 Ų25.517%0.16513%0.134CC..  trans66.10.1173.200000116.7Q1622Q1622-G1626 WeakPolarHBondContact O-CA 3.37Å; Q1622-G1626 PolarHBondContact O-N 3.34Å
1627G79.3Confident87Confident1 Ų121.5 Ų21.51%0.0112%0.116CC..  trans-86.4160.8-165.800000115.6Q1622 T1625 I1629 T1630 L1631 F1697Q1622-G1627 PolarHBondContact NE2-O 3Å; Q1622-G1627 PolarHBondContact OE1-O 3.38Å; Q1622-G1627 VanDerWaalsContact OE1-O 3.1Å; T1625-G1627 PolarHBondContact O-N 3.24Å; G1627-I1629 VanDerWaalsContact C-N 3.32Å; G1627-T1630 PolarHBondContact O-OG1 3.33Å; G1627-T1630 VanDerWaalsContact O-OG1 3.1Å; G1627-L1631 PolarHBondContact O-N 3.27Å; G1627-F1697 WeakPolarHBondContact CA-O 3.14Å
1628L84.9Confident86.8Confident83 Ų8319.3 Ų19.344%0.43511%0.107SC..THydrogen-bonded Turntrans-67.9-30170-155.982.6000112.4T1630 L1631 P1632 L1696 F1697L1628-T1630 VanDerWaalsContact C-N 3.34Å; L1628-T1630 PolarHBondContact O-N 2.75Å; L1628-L1631 HydrophobicContact CD1-CD2 3.94Å; L1628-L1631 WeakPolarHBondContact O-CB 3.14Å; L1628-L1631 PolarHBondContact O-N 3.45Å; L1628-P1632 WeakPolarHBondContact O-CD 3.42Å; L1628-L1696 WeakPolarHBondContact CB-O 3.44Å; L1628-L1696 PolarHBondContact N-O 3.42Å; L1628-F1697 HydrophobicContact CB-CD1 4.15Å; L1628-F1697 HydrophobicContact CD2-CD1 4.29Å; L1628-F1697 HydrophobicContact CD2-CE1 3.95Å; L1628-F1697 PolarHBondContact N-O 3.42Å
1629I87.7Confident86.6Confident38 Ų3822.9 Ų22.920%0.19512%0.122CC..THydrogen-bonded Turntrans-69-33.2-179.7-66-178.4000111.7G1627 P1632 Y1659 V1663 F1697 V1699G1627-I1629 VanDerWaalsContact C-N 3.32Å; I1629-P1632 WeakPolarHBondContact O-CD 3.43Å; I1629-Y1659 WeakPolarHBondContact O-CE1 3.33Å; I1629-Y1659 PolarHBondContact O-OH 3.38Å; I1629-V1663 HydrophobicContact CG2-CG1 4.32Å; I1629-V1663 HydrophobicContact CG2-CG2 3.79Å; I1629-F1697 WeakPolarHBondContact CB-O 3.25Å; I1629-F1697 HydrophobicContact CD1-CB 4.08Å; I1629-F1697 HydrophobicContact CD1-CD1 4.4Å; I1629-F1697 HydrophobicContact CG1-CB 4.18Å; I1629-F1697 HydrophobicContact CG1-CD1 4Å; I1629-F1697 WeakPolarHBondContact CG1-O 3.19Å; I1629-F1697 PolarHBondContact N-O 3.21Å; I1629-V1699 HydrophobicContact CD1-CG2 3.56Å
1630T88.2Confident86.4Confident1 Ų126.9 Ų26.91%0.00614%0.137CC..THydrogen-bonded Turntrans-85.1-17.7177.541.70000113.1T1621 Q1622 T1625 G1627 L1628 P1632 L1633 P1634 V1663T1621-T1630 HydrophobicContact CG2-CG2 3.99Å; Q1622-T1630 PolarHBondContact OE1-O 3.01Å; Q1622-T1630 PolarHBondContact OE1-OG1 3.36Å; T1625-T1630 WeakPolarHBondContact OG1-CG2 3.44Å; T1625-T1630 PolarHBondContact OG1-OG1 3.06Å; T1625-T1630 VanDerWaalsContact OG1-OG1 3.08Å; G1627-T1630 PolarHBondContact O-OG1 3.33Å; G1627-T1630 VanDerWaalsContact O-OG1 3.1Å; L1628-T1630 VanDerWaalsContact C-N 3.34Å; L1628-T1630 PolarHBondContact O-N 2.75Å; T1630-P1632 VanDerWaalsContact C-CD 3.43Å; T1630-P1632 VanDerWaalsContact C-N 3.35Å; T1630-L1633 WeakPolarHBondContact O-CB 3.41Å; T1630-L1633 PolarHBondContact O-N 3.26Å; T1630-P1634 WeakPolarHBondContact O-CD 3.48Å; T1630-V1663 HydrophobicContact CG2-CG1 4.41Å
1631L87.6Confident86.2Confident36 Ų3626 Ų2619%0.18813%0.133CC..THydrogen-bonded Turntrans-54.2-35.8-176.9-173.270.8000114.8G1627 L1628 L1633 P1634 L1635 F1912G1627-L1631 PolarHBondContact O-N 3.27Å; L1628-L1631 HydrophobicContact CD1-CD2 3.94Å; L1628-L1631 WeakPolarHBondContact O-CB 3.14Å; L1628-L1631 PolarHBondContact O-N 3.45Å; L1631-L1633 PolarHBondContact O-N 3.1Å; L1631-P1634 VanDerWaalsContact O-CD 3.26Å; L1631-P1634 WeakPolarHBondContact O-CD 3.48Å; L1631-P1634 WeakPolarHBondContact O-CG 3.27Å; L1631-L1635 HydrophobicContact CD1-CD1 4.48Å; L1631-L1635 HydrophobicContact CD2-CD1 4.34Å; L1631-L1635 HydrophobicContact CG-CD1 3.9Å; L1631-L1635 HydrophobicContact CG-CG 4.47Å; L1631-L1635 WeakPolarHBondContact O-CG 3.36Å; L1631-L1635 PolarHBondContact O-N 3.23Å; L1631-F1912 HydrophobicContact CD1-CD2 4.38Å; L1631-F1912 HydrophobicContact CD1-CE2 4.44Å
1632P90.3Very high85.9Confident43 Ų4326.8 Ų26.828%0.27914%0.137SC..Hα-helixtrans-62.4-25.9175.8-27.539000114.5L1628 I1629 T1630 L1635 M1636 Y1659L1628-P1632 WeakPolarHBondContact O-CD 3.42Å; I1629-P1632 WeakPolarHBondContact O-CD 3.43Å; T1630-P1632 VanDerWaalsContact C-CD 3.43Å; T1630-P1632 VanDerWaalsContact C-N 3.35Å; P1632-L1635 PolarHBondContact O-N 3.42Å; P1632-M1636 VanDerWaalsContact O-CB 3.29Å; P1632-M1636 WeakPolarHBondContact O-CB 3.34Å; P1632-M1636 VanDerWaalsContact O-CG 3.25Å; P1632-M1636 WeakPolarHBondContact O-CG 3.18Å; P1632-M1636 PolarHBondContact O-N 3.07Å; P1632-Y1659 HydrophobicContact CB-CE1 4.39Å
1633L90.1Very high85.6Confident0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-62.1-57.4-178.4-66.8169.5000113A1618 T1621 T1630 L1631 S1637 M1656 Y1659 T1660 L1712A1618-L1633 HydrophobicContact CB-CB 4.2Å; T1621-L1633 HydrophobicContact CG2-CD1 4.25Å; T1630-L1633 WeakPolarHBondContact O-CB 3.41Å; T1630-L1633 PolarHBondContact O-N 3.26Å; L1631-L1633 PolarHBondContact O-N 3.1Å; L1633-S1637 PolarHBondContact O-N 3.27Å; L1633-M1656 HydrophobicContact CD2-CG 4.12Å; L1633-Y1659 HydrophobicContact CD2-CD1 3.83Å; L1633-Y1659 HydrophobicContact CD2-CE1 4.46Å; L1633-Y1659 HydrophobicContact CG-CD1 4.13Å; L1633-Y1659 HydrophobicContact CG-CE1 4.27Å; L1633-T1660 HydrophobicContact CD1-CG2 4.25Å; L1633-T1660 HydrophobicContact CD2-CG2 3.77Å; L1633-L1712 HydrophobicContact CD1-CD2 3.94Å; L1633-L1712 HydrophobicContact CD2-CD2 4.38Å
1634P87.6Confident85.2Confident0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-64.3-39174.425.8-35.1000112I1619 Q1622 T1630 L1631 M1636 S1637 L1638I1619-P1634 HydrophobicContact CG1-CB 4.18Å; Q1622-P1634 HydrophobicContact CB-CG 3.85Å; Q1622-P1634 HydrophobicContact CG-CG 4.05Å; T1630-P1634 WeakPolarHBondContact O-CD 3.48Å; L1631-P1634 VanDerWaalsContact O-CD 3.26Å; L1631-P1634 WeakPolarHBondContact O-CD 3.48Å; L1631-P1634 WeakPolarHBondContact O-CG 3.27Å; P1634-M1636 PolarHBondContact O-N 3.29Å; P1634-S1637 WeakPolarHBondContact CA-OG 3.5Å; P1634-S1637 PolarHBondContact O-N 3.23Å; P1634-S1637 VanDerWaalsContact O-N 3.08Å; P1634-S1637 PolarHBondContact O-OG 2.93Å; P1634-L1638 WeakPolarHBondContact O-CB 3.31Å; P1634-L1638 WeakPolarHBondContact O-CG 3.49Å; P1634-L1638 PolarHBondContact O-N 3.06Å
1635L88.3Confident84.6Confident47 Ų4726.5 Ų26.525%0.24614%0.137CC..Hα-helixtrans-61.8-42.5180-66179.7000112.4L1631 P1632 S1637 L1638 F1639 I1904L1631-L1635 HydrophobicContact CD1-CD1 4.48Å; L1631-L1635 HydrophobicContact CD2-CD1 4.34Å; L1631-L1635 HydrophobicContact CG-CD1 3.9Å; L1631-L1635 HydrophobicContact CG-CG 4.47Å; L1631-L1635 WeakPolarHBondContact O-CG 3.36Å; L1631-L1635 PolarHBondContact O-N 3.23Å; P1632-L1635 PolarHBondContact O-N 3.42Å; L1635-S1637 VanDerWaalsContact C-N 3.35Å; L1635-S1637 PolarHBondContact O-N 3.32Å; L1635-L1638 PolarHBondContact O-N 3.06Å; L1635-F1639 HydrophobicContact CB-CD2 4.37Å; L1635-F1639 HydrophobicContact CD2-CD2 4.46Å; L1635-F1639 HydrophobicContact CD2-CE2 3.95Å; L1635-F1639 WeakPolarHBondContact O-CB 3.39Å; L1635-F1639 PolarHBondContact O-N 3Å; L1635-I1904 HydrophobicContact CD2-CG2 4.07Å
1636M89.2Confident83.9Confident33 Ų3329.7 Ų29.716%0.16316%0.159CC..Hα-helixtrans-60.9-42171.6-76.917762.400111.6P1632 P1634 W1640 G1641 F1652 T1655P1632-M1636 VanDerWaalsContact O-CB 3.29Å; P1632-M1636 WeakPolarHBondContact O-CB 3.34Å; P1632-M1636 VanDerWaalsContact O-CG 3.25Å; P1632-M1636 WeakPolarHBondContact O-CG 3.18Å; P1632-M1636 PolarHBondContact O-N 3.07Å; P1634-M1636 PolarHBondContact O-N 3.29Å; M1636-W1640 HydrophobicContact CE-CE3 4.37Å; M1636-W1640 HydrophobicContact CE-CZ3 4.34Å; M1636-W1640 WeakPolarHBondContact O-CB 3.49Å; M1636-W1640 PolarHBondContact O-N 2.97Å; M1636-G1641 PolarHBondContact O-N 3.15Å; M1636-F1652 HydrophobicContact CB-CE2 4.15Å; M1636-F1652 HydrophobicContact CE-CD2 4.33Å; M1636-F1652 HydrophobicContact CE-CE2 4.37Å; M1636-T1655 HydrophobicContact CE-CG2 3.92Å
1637S88.8Confident83.7Confident0 Ų032.5 Ų32.50%016%0.164CC..Iπ-helixtrans-64.7-39.1178.678.70000113.3L1633 P1634 L1635 N1642L1633-S1637 PolarHBondContact O-N 3.27Å; P1634-S1637 WeakPolarHBondContact CA-OG 3.5Å; P1634-S1637 PolarHBondContact O-N 3.23Å; P1634-S1637 VanDerWaalsContact O-N 3.08Å; P1634-S1637 PolarHBondContact O-OG 2.93Å; L1635-S1637 VanDerWaalsContact C-N 3.35Å; L1635-S1637 PolarHBondContact O-N 3.32Å; S1637-N1642 PolarHBondContact O-N 2.94Å
1638L87.8Confident83.7Confident0 Ų033.2 Ų33.20%017%0.169CC..Iπ-helixtrans-81.9-40.4-175.5-68.2176.2000113.4P1634 L1635 I1904 F1940 L1941P1634-L1638 WeakPolarHBondContact O-CB 3.31Å; P1634-L1638 WeakPolarHBondContact O-CG 3.49Å; P1634-L1638 PolarHBondContact O-N 3.06Å; L1635-L1638 PolarHBondContact O-N 3.06Å; L1638-I1904 HydrophobicContact CB-CD1 4.17Å; L1638-I1904 HydrophobicContact CD1-CD1 4.33Å; L1638-I1904 HydrophobicContact CD1-CG1 4.5Å; L1638-I1904 HydrophobicContact CD1-CG2 4.5Å; L1638-F1940 HydrophobicContact CD2-CB 3.88Å; L1638-L1941 HydrophobicContact CD2-CD2 3.88Å; L1638-L1941 HydrophobicContact CD2-CG 4.01Å
1639F85Confident83.3Confident74 Ų7431.4 Ų31.433%0.32516%0.163SC..Iπ-helixtrans-91.5-27.5-177.9-67.4-45.9000114.4L1635 V1901 I1904L1635-F1639 HydrophobicContact CB-CD2 4.37Å; L1635-F1639 HydrophobicContact CD2-CD2 4.46Å; L1635-F1639 HydrophobicContact CD2-CE2 3.95Å; L1635-F1639 WeakPolarHBondContact O-CB 3.39Å; L1635-F1639 PolarHBondContact O-N 3Å; F1639-V1901 HydrophobicContact CE1-CG2 4.14Å; F1639-I1904 HydrophobicContact CD1-CD1 4.32Å; F1639-I1904 HydrophobicContact CE1-CB 4.22Å; F1639-I1904 HydrophobicContact CE1-CD1 3.8Å; F1639-I1904 HydrophobicContact CE1-CG2 3.99Å; F1639-I1904 HydrophobicContact CE2-CG2 4.09Å; F1639-I1904 HydrophobicContact CZ-CB 4.05Å; F1639-I1904 HydrophobicContact CZ-CD1 4.39Å; F1639-I1904 HydrophobicContact CZ-CG2 3.48Å; F1639-I1904 VanDerWaalsContact CZ-CG2 3.48Å
1640W86.6Confident83.1Confident86 Ų8634.7 Ų34.733%0.32618%0.176SC..Iπ-helixtrans-118.3-51.2-175-171.211.1000112.8M1636 S1644 F1651 F1652M1636-W1640 HydrophobicContact CE-CE3 4.37Å; M1636-W1640 HydrophobicContact CE-CZ3 4.34Å; M1636-W1640 WeakPolarHBondContact O-CB 3.49Å; M1636-W1640 PolarHBondContact O-N 2.97Å; W1640-S1644 WeakPolarHBondContact O-CB 3.1Å; W1640-S1644 PolarHBondContact O-N 3.38Å; W1640-F1651 AromaticContact CH2-CD1 3.61Å; W1640-F1651 HydrophobicContact CH2-CD1 3.61Å; W1640-F1651 AromaticContact CH2-CE1 3.82Å; W1640-F1651 HydrophobicContact CH2-CE1 3.82Å; W1640-F1651 HydrophobicContact CZ2-CD1 4.03Å; W1640-F1652 HydrophobicContact CB-CD2 4.36Å; W1640-F1652 HydrophobicContact CD2-CB 4.47Å; W1640-F1652 AromaticContact CD2-CD2 3.85Å; W1640-F1652 HydrophobicContact CD2-CD2 3.85Å; W1640-F1652 AromaticContact CE3-CD2 3.86Å; W1640-F1652 HydrophobicContact CE3-CD2 3.86Å; W1640-F1652 HydrophobicContact CG-CD2 4.07Å; W1640-F1652 HydrophobicContact CZ2-CB 4.38Å
1641G84Confident83Confident0 Ų041.2 Ų41.20%020%0.204CC..Iπ-helixtrans-56.3-66.1-177.300000112.2Y1615 M1636 S1644Y1615-G1641 VanDerWaalsContact OH-C 3.25Å; Y1615-G1641 WeakPolarHBondContact OH-CA 3.43Å; Y1615-G1641 PolarHBondContact OH-O 3.41Å; M1636-G1641 PolarHBondContact O-N 3.15Å; G1641-S1644 PolarHBondContact O-N 2.93Å; G1641-S1644 PolarHBondContact O-OG 3.44Å
1642N83.6Confident83.1Confident15 Ų1539.5 Ų39.58%0.0820%0.195CC..THydrogen-bonded Turntrans-77.6-25.2-170.9-161.527.3000114.8Y1615 S1637 S1644 L1941 A1944 R1948Y1615-N1642 HydrophobicContact CE2-CB 4.23Å; S1637-N1642 PolarHBondContact O-N 2.94Å; N1642-S1644 VanDerWaalsContact C-N 3.31Å; N1642-L1941 HydrophobicContact CB-CD2 4.15Å; N1642-L1941 PolarHBondContact ND2-O 3.42Å; N1642-A1944 HydrophobicContact CB-CB 4.2Å; N1642-A1944 WeakPolarHBondContact ND2-CB 3.43Å; N1642-R1948 PolarHBondContact O-NH1 3.24Å; N1642-R1948 PolarHBondContact OD1-NH1 3.34Å; N1642-R1948 VanDerWaalsContact OD1-NH1 3.16Å
1643L82.8Confident83.1Confident10 Ų1037.8 Ų37.85%0.05218%0.183CC..THydrogen-bonded Turntrans-75.7-15.7175-73.3176.7000113.3F1812 L1816 L1897 A1944 I1947L1643-F1812 HydrophobicContact CB-CE1 4.44Å; L1643-F1812 HydrophobicContact CB-CZ 3.98Å; L1643-L1816 HydrophobicContact CD2-CD1 4.4Å; L1643-L1816 HydrophobicContact CD2-CD2 4.48Å; L1643-L1816 WeakPolarHBondContact O-CD1 3.17Å; L1643-L1897 HydrophobicContact CD1-CD1 4.23Å; L1643-A1944 HydrophobicContact CD2-CB 3.79Å; L1643-A1944 HydrophobicContact CG-CB 4.12Å; L1643-I1947 HydrophobicContact CD2-CB 4.19Å; L1643-I1947 HydrophobicContact CD2-CG2 4.03Å
1644S79Confident83.1Confident9 Ų939.5 Ų39.56%0.06319%0.194CC..SBendtrans-68.5138.4176.567.30000113W1640 G1641 N1642 R1647 P1648 R1948W1640-S1644 WeakPolarHBondContact O-CB 3.1Å; W1640-S1644 PolarHBondContact O-N 3.38Å; G1641-S1644 PolarHBondContact O-N 2.93Å; G1641-S1644 PolarHBondContact O-OG 3.44Å; N1642-S1644 VanDerWaalsContact C-N 3.31Å; S1644-R1647 VanDerWaalsContact OG-C 3.31Å; S1644-R1647 PolarHBondContact OG-O 3.26Å; S1644-P1648 WeakPolarHBondContact OG-CA 3.45Å; S1644-P1648 VanDerWaalsContact OG-N 3.11Å; S1644-R1948 WeakPolarHBondContact O-CD 3.5Å
1645N69.8Low83.3Confident50 Ų5041.4 Ų41.427%0.26721%0.206SC..SBendtrans-125.3132.2178-173.9-23.6000109.3P1819 F1821 R1948N1645-P1819 HydrophobicContact CB-CB 4.42Å; N1645-P1819 WeakPolarHBondContact ND2-CB 3.41Å; N1645-F1821 PolarHBondContact ND2-O 2.9Å; N1645-R1948 HydrophobicContact CB-CG 3.98Å
1646P66.8Low83.4Confident82 Ų8239.2 Ų39.253%0.53219%0.194SC..SBendcis-86.2-8.8-2.634.7-36.1000114
1647R71.2Confident83.5Confident75 Ų7537.7 Ų37.728%0.28319%0.186SC..SBendtrans-154.9157-178.769.7-172.9-168.3-179.511111.3S1644 L1728 K1730 D1731S1644-R1647 VanDerWaalsContact OG-C 3.31Å; S1644-R1647 PolarHBondContact OG-O 3.26Å; R1647-L1728 VanDerWaalsContact CZ-O 3.32Å; R1647-L1728 PolarHBondContact NH1-O 3.27Å; R1647-L1728 PolarHBondContact NH2-O 3.1Å; R1647-L1728 VanDerWaalsContact NH2-O 3.12Å; R1647-K1730 PolarHBondContact NH2-O 3.46Å; R1647-D1731 IonicContact CZ-OD1 3.81Å; R1647-D1731 IonicContact NE-OD1 3.31Å; R1647-D1731 IonicContact NH2-OD1 2.68Å; R1647-D1731 PolarHBondContact NH2-OD1 2.9Å
1648P77.8Confident83.6Confident16 Ų1640.5 Ų40.510%0.10420%0.204CC..  trans-66145.6172.2-13.126.2000111.2Y1615 S1644 F1652 W1653Y1615-P1648 WeakPolarHBondContact OH-CG 3.48Å; S1644-P1648 WeakPolarHBondContact OG-CA 3.45Å; S1644-P1648 VanDerWaalsContact OG-N 3.11Å; P1648-F1652 HydrophobicContact CB-CB 4.31Å; P1648-F1652 HydrophobicContact CB-CD1 3.58Å; P1648-F1652 HydrophobicContact CB-CE1 4.18Å; P1648-F1652 HydrophobicContact CB-CG 4.07Å; P1648-F1652 HydrophobicContact CG-CD1 4.42Å; P1648-W1653 HydrophobicContact CB-CZ2 4.39Å; P1648-W1653 HydrophobicContact CG-CZ2 3.94Å
1649S78Confident83.8Confident44 Ų4443.9 Ų43.931%0.30822%0.217SC..  trans-66.2156.8-179.370.80000112F1651 F1652 W1653S1649-F1651 PolarHBondContact O-N 2.95Å; S1649-F1651 PolarHBondContact OG-N 2.85Å; S1649-F1652 WeakPolarHBondContact O-CB 3.47Å; S1649-F1652 PolarHBondContact O-N 3.19Å; S1649-F1652 PolarHBondContact OG-N 2.71Å; S1649-F1652 VanDerWaalsContact OG-N 3.13Å; S1649-W1653 PolarHBondContact O-N 2.9Å
1650K83.3Confident84.1Confident108 Ų10840.3 Ų40.347%0.4720%0.201SC..Hα-helixtrans-51.7-36.2167.2175.6-165.6159.9-142.70111.7W1653 V1654 W1729K1650-W1653 PolarHBondContact O-N 3.42Å; K1650-V1654 HydrophobicContact CG-CG2 4.3Å; K1650-V1654 WeakPolarHBondContact O-CG2 3.49Å; K1650-V1654 PolarHBondContact O-N 3.09Å; K1650-W1729 HydrophobicContact CG-CZ2 4.32Å
1651F86.4Confident84.2Confident137 Ų13737.6 Ų37.660%0.60119%0.192SC*.Hα-helixtrans-67-39.4-178.6-176.9-121.1000112.5W1640 S1649 V1654 T1655W1640-F1651 AromaticContact CH2-CD1 3.61Å; W1640-F1651 HydrophobicContact CH2-CD1 3.61Å; W1640-F1651 AromaticContact CH2-CE1 3.82Å; W1640-F1651 HydrophobicContact CH2-CE1 3.82Å; W1640-F1651 HydrophobicContact CZ2-CD1 4.03Å; S1649-F1651 PolarHBondContact O-N 2.95Å; S1649-F1651 PolarHBondContact OG-N 2.85Å; F1651-V1654 PolarHBondContact O-N 3.11Å; F1651-T1655 WeakPolarHBondContact O-CB 3.23Å; F1651-T1655 PolarHBondContact O-N 3.2Å; F1651-T1655 PolarHBondContact O-OG1 2.81Å
1652F88.7Confident84.5Confident0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-56.2-52.3172.3168.7-93.6000111.4Y1615 M1636 W1640 P1648 S1649 V1654 T1655 M1656Y1615-F1652 AromaticContact CE1-CE1 3.9Å; Y1615-F1652 HydrophobicContact CE1-CE1 3.9Å; Y1615-F1652 AromaticContact CE1-CZ 3.81Å; Y1615-F1652 HydrophobicContact CE1-CZ 3.81Å; M1636-F1652 HydrophobicContact CB-CE2 4.15Å; M1636-F1652 HydrophobicContact CE-CD2 4.33Å; M1636-F1652 HydrophobicContact CE-CE2 4.37Å; W1640-F1652 HydrophobicContact CB-CD2 4.36Å; W1640-F1652 HydrophobicContact CD2-CB 4.47Å; W1640-F1652 AromaticContact CD2-CD2 3.85Å; W1640-F1652 HydrophobicContact CD2-CD2 3.85Å; W1640-F1652 AromaticContact CE3-CD2 3.86Å; W1640-F1652 HydrophobicContact CE3-CD2 3.86Å; W1640-F1652 HydrophobicContact CG-CD2 4.07Å; W1640-F1652 HydrophobicContact CZ2-CB 4.38Å; P1648-F1652 HydrophobicContact CB-CB 4.31Å; P1648-F1652 HydrophobicContact CB-CD1 3.58Å; P1648-F1652 HydrophobicContact CB-CE1 4.18Å; P1648-F1652 HydrophobicContact CB-CG 4.07Å; P1648-F1652 HydrophobicContact CG-CD1 4.42Å; S1649-F1652 WeakPolarHBondContact O-CB 3.47Å; S1649-F1652 PolarHBondContact O-N 3.19Å; S1649-F1652 PolarHBondContact OG-N 2.71Å; S1649-F1652 VanDerWaalsContact OG-N 3.13Å; F1652-V1654 PolarHBondContact O-N 3.34Å; F1652-T1655 PolarHBondContact O-N 3.47Å; F1652-M1656 HydrophobicContact CE1-CE 3.82Å; F1652-M1656 HydrophobicContact CE1-SD 4.39Å; F1652-M1656 HydrophobicContact CE2-SD 4.47Å; F1652-M1656 HydrophobicContact CZ-CE 3.76Å; F1652-M1656 HydrophobicContact CZ-SD 3.86Å; F1652-M1656 PolarHBondContact O-N 2.98Å
1653W91.2Very high84.7Confident7 Ų739.9 Ų39.93%0.02721%0.209CC..Hα-helixtrans-67.3-36.8-178.3-66.7112.1000113.7D1611 C1614 Y1615 P1648 S1649 K1650 M1656 I1657 L1716 H1719 W1729D1611-W1653 HydrophobicContact CB-CH2 4.09Å; D1611-W1653 HydrophobicContact CB-CZ2 4.02Å; C1614-W1653 HydrophobicContact CB-CH2 4.01Å; C1614-W1653 HydrophobicContact CB-CZ3 3.7Å; Y1615-W1653 HydrophobicContact CD1-CH2 4.47Å; Y1615-W1653 AromaticContact CE1-CH2 3.77Å; Y1615-W1653 HydrophobicContact CE1-CH2 3.77Å; Y1615-W1653 HydrophobicContact CE1-CZ2 4.31Å; P1648-W1653 HydrophobicContact CB-CZ2 4.39Å; P1648-W1653 HydrophobicContact CG-CZ2 3.94Å; S1649-W1653 PolarHBondContact O-N 2.9Å; K1650-W1653 PolarHBondContact O-N 3.42Å; W1653-M1656 HydrophobicContact CE3-CE 3.94Å; W1653-M1656 HydrophobicContact CH2-CE 4.31Å; W1653-M1656 HydrophobicContact CZ3-CE 3.48Å; W1653-M1656 VanDerWaalsContact CZ3-CE 3.48Å; W1653-I1657 WeakPolarHBondContact O-CG1 3.46Å; W1653-I1657 PolarHBondContact O-N 2.85Å; W1653-I1657 VanDerWaalsContact O-N 3.08Å; W1653-L1716 HydrophobicContact CE3-CD2 3.74Å; W1653-L1716 HydrophobicContact CZ3-CD2 3.82Å; W1653-H1719 AromaticContact CD2-CD2 3.57Å; W1653-H1719 AromaticContact CD2-NE2 3.7Å; W1653-H1719 AromaticContact CE2-CD2 3.57Å; W1653-H1719 AromaticContact CE2-NE2 3.17Å; W1653-H1719 AromaticContact CE3-CD2 3.62Å; W1653-H1719 AromaticContact CH2-CD2 3.74Å; W1653-H1719 AromaticContact CH2-NE2 3.68Å; W1653-H1719 AromaticContact CZ2-CD2 3.68Å; W1653-H1719 AromaticContact CZ2-CE1 3.99Å; W1653-H1719 AromaticContact CZ2-NE2 3.18Å; W1653-H1719 WeakPolarHBondContact CZ2-NE2 3.43Å; W1653-H1719 AromaticContact CZ3-CD2 3.7Å; W1653-H1719 AromaticContact NE1-NE2 3.56Å; W1653-W1729 HydrophobicContact CB-CH2 4.18Å; W1653-W1729 HydrophobicContact CB-CZ3 3.99Å
1654V89.8Confident85Confident36 Ų3640 Ų4022%0.21821%0.209CC..Hα-helixtrans-65.4-44.9173.7170.60000110.5K1650 F1651 F1652 M1656 I1657 T1658 W1729K1650-V1654 HydrophobicContact CG-CG2 4.3Å; K1650-V1654 WeakPolarHBondContact O-CG2 3.49Å; K1650-V1654 PolarHBondContact O-N 3.09Å; F1651-V1654 PolarHBondContact O-N 3.11Å; F1652-V1654 PolarHBondContact O-N 3.34Å; V1654-M1656 VanDerWaalsContact C-N 3.34Å; V1654-M1656 PolarHBondContact O-N 2.94Å; V1654-I1657 PolarHBondContact O-N 2.97Å; V1654-T1658 PolarHBondContact O-N 2.99Å; V1654-T1658 PolarHBondContact O-OG1 2.86Å; V1654-T1658 VanDerWaalsContact O-OG1 3.06Å; V1654-W1729 HydrophobicContact CG2-CH2 3.93Å; V1654-W1729 HydrophobicContact CG2-CZ2 3.75Å
1655T90.9Very high85.3Confident41 Ų4142.3 Ų42.325%0.25222%0.223SC..Hα-helixtrans-61.8-42.4177.6-52.90000111.2M1636 F1651 F1652 T1658 Y1659M1636-T1655 HydrophobicContact CE-CG2 3.92Å; F1651-T1655 WeakPolarHBondContact O-CB 3.23Å; F1651-T1655 PolarHBondContact O-N 3.2Å; F1651-T1655 PolarHBondContact O-OG1 2.81Å; F1652-T1655 PolarHBondContact O-N 3.47Å; T1655-T1658 PolarHBondContact O-N 3.31Å; T1655-Y1659 VanDerWaalsContact O-CB 3.25Å; T1655-Y1659 WeakPolarHBondContact O-CB 3.48Å; T1655-Y1659 PolarHBondContact O-N 2.9Å
1656M90.9Very high86.1Confident0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-67.7-35.4179.4-162.1149.479.900112.7C1614 Y1615 L1633 F1652 W1653 V1654 T1660 L1716C1614-M1656 HydrophobicContact CB-CE 4.38Å; Y1615-M1656 HydrophobicContact CD1-CE 4.42Å; Y1615-M1656 HydrophobicContact CE1-CE 4.48Å; L1633-M1656 HydrophobicContact CD2-CG 4.12Å; F1652-M1656 HydrophobicContact CE1-CE 3.82Å; F1652-M1656 HydrophobicContact CE1-SD 4.39Å; F1652-M1656 HydrophobicContact CE2-SD 4.47Å; F1652-M1656 HydrophobicContact CZ-CE 3.76Å; F1652-M1656 HydrophobicContact CZ-SD 3.86Å; F1652-M1656 PolarHBondContact O-N 2.98Å; W1653-M1656 HydrophobicContact CE3-CE 3.94Å; W1653-M1656 HydrophobicContact CH2-CE 4.31Å; W1653-M1656 HydrophobicContact CZ3-CE 3.48Å; W1653-M1656 VanDerWaalsContact CZ3-CE 3.48Å; V1654-M1656 VanDerWaalsContact C-N 3.34Å; V1654-M1656 PolarHBondContact O-N 2.94Å; M1656-T1660 WeakPolarHBondContact O-CG2 3.49Å; M1656-T1660 PolarHBondContact O-N 3.19Å; M1656-T1660 VanDerWaalsContact O-N 3.14Å; M1656-T1660 PolarHBondContact O-OG1 3.16Å; M1656-L1716 HydrophobicContact CB-CD2 4.36Å; M1656-L1716 HydrophobicContact CE-CD2 3.68Å; M1656-L1716 HydrophobicContact CG-CD1 4.21Å; M1656-L1716 HydrophobicContact CG-CD2 4.16Å
1657I90.9Very high87Confident1 Ų140.3 Ų40.31%0.00521%0.206CC..Hα-helixtrans-66.6-51.4170.8-69.4165.4000111W1198 W1653 V1654 Y1659 T1660 E1661 L1716 F1717 R1720W1198-I1657 HydrophobicContact CE3-CG2 4.47Å; W1198-I1657 HydrophobicContact CZ3-CG2 3.95Å; W1653-I1657 WeakPolarHBondContact O-CG1 3.46Å; W1653-I1657 PolarHBondContact O-N 2.85Å; W1653-I1657 VanDerWaalsContact O-N 3.08Å; V1654-I1657 PolarHBondContact O-N 2.97Å; I1657-Y1659 VanDerWaalsContact C-N 3.26Å; I1657-Y1659 PolarHBondContact O-N 2.94Å; I1657-T1660 PolarHBondContact O-N 2.74Å; I1657-T1660 PolarHBondContact O-OG1 3.3Å; I1657-E1661 HydrophobicContact CG2-CG 4.27Å; I1657-E1661 WeakPolarHBondContact CG2-OE1 3.31Å; I1657-E1661 WeakPolarHBondContact O-CG 3.34Å; I1657-E1661 PolarHBondContact O-N 3.11Å; I1657-L1716 HydrophobicContact CD1-CB 4.38Å; I1657-L1716 HydrophobicContact CG1-CB 3.73Å; I1657-L1716 HydrophobicContact CG1-CD1 4.17Å; I1657-L1716 HydrophobicContact CG1-CD2 4.4Å; I1657-L1716 HydrophobicContact CG1-CG 4.34Å; I1657-F1717 HydrophobicContact CG2-CE2 3.89Å; I1657-F1717 HydrophobicContact CG2-CZ 4.15Å; I1657-R1720 HydrophobicContact CD1-CB 4.34Å
1658T90.7Very high87.7Confident59 Ų5936.8 Ų36.836%0.36219%0.193SC..Hα-helixtrans-63.3-35.5-177.4-56.60000111.4V1654 T1655 C1662V1654-T1658 PolarHBondContact O-N 2.99Å; V1654-T1658 PolarHBondContact O-OG1 2.86Å; V1654-T1658 VanDerWaalsContact O-OG1 3.06Å; T1655-T1658 PolarHBondContact O-N 3.31Å; T1658-C1662 WeakPolarHBondContact O-CB 3.45Å; T1658-C1662 PolarHBondContact O-N 3.08Å; T1658-C1662 PolarHBondContact O-SG 2.87Å
1659Y92.5Very high88.1Confident71 Ų7138.7 Ų38.728%0.27820%0.204SC..Hα-helixtrans-67.5-43.1174.7-165.4-91.9000112.2I1629 P1632 L1633 T1655 I1657 C1662 V1663I1629-Y1659 WeakPolarHBondContact O-CE1 3.33Å; I1629-Y1659 PolarHBondContact O-OH 3.38Å; P1632-Y1659 HydrophobicContact CB-CE1 4.39Å; L1633-Y1659 HydrophobicContact CD2-CD1 3.83Å; L1633-Y1659 HydrophobicContact CD2-CE1 4.46Å; L1633-Y1659 HydrophobicContact CG-CD1 4.13Å; L1633-Y1659 HydrophobicContact CG-CE1 4.27Å; T1655-Y1659 VanDerWaalsContact O-CB 3.25Å; T1655-Y1659 WeakPolarHBondContact O-CB 3.48Å; T1655-Y1659 PolarHBondContact O-N 2.9Å; I1657-Y1659 VanDerWaalsContact C-N 3.26Å; I1657-Y1659 PolarHBondContact O-N 2.94Å; Y1659-C1662 PolarHBondContact O-N 3.39Å; Y1659-V1663 HydrophobicContact CD1-CG2 3.76Å; Y1659-V1663 HydrophobicContact CE1-CG2 3.45Å; Y1659-V1663 VanDerWaalsContact CE1-CG2 3.45Å; Y1659-V1663 WeakPolarHBondContact O-CB 3.41Å; Y1659-V1663 VanDerWaalsContact O-CG2 3.29Å; Y1659-V1663 WeakPolarHBondContact O-CG2 3.43Å; Y1659-V1663 PolarHBondContact O-N 3.46Å
1660T91.4Very high88.5Confident0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-68.3-37.6176.353.80000112.7L1633 M1656 I1657 V1663 I1664 L1712 L1716L1633-T1660 HydrophobicContact CD1-CG2 4.25Å; L1633-T1660 HydrophobicContact CD2-CG2 3.77Å; M1656-T1660 WeakPolarHBondContact O-CG2 3.49Å; M1656-T1660 PolarHBondContact O-N 3.19Å; M1656-T1660 VanDerWaalsContact O-N 3.14Å; M1656-T1660 PolarHBondContact O-OG1 3.16Å; I1657-T1660 PolarHBondContact O-N 2.74Å; I1657-T1660 PolarHBondContact O-OG1 3.3Å; T1660-V1663 PolarHBondContact O-N 2.76Å; T1660-I1664 VanDerWaalsContact O-CG1 3.28Å; T1660-I1664 WeakPolarHBondContact O-CG1 3.39Å; T1660-I1664 PolarHBondContact O-N 3.45Å; T1660-L1712 HydrophobicContact CG2-CD2 3.59Å; T1660-L1712 HydrophobicContact CG2-CG 4.01Å; T1660-L1716 HydrophobicContact CG2-CD1 4.04Å
1661E89.8Confident88.5Confident29 Ų2932.9 Ų32.914%0.13618%0.176CC..Hα-helixtrans-59.4-45.7171-71173.3168.300111.1L1194 I1657 I1664 V1665 L1713 F1717L1194-E1661 HydrophobicContact CD2-CG 4.33Å; I1657-E1661 HydrophobicContact CG2-CG 4.27Å; I1657-E1661 WeakPolarHBondContact CG2-OE1 3.31Å; I1657-E1661 WeakPolarHBondContact O-CG 3.34Å; I1657-E1661 PolarHBondContact O-N 3.11Å; E1661-I1664 PolarHBondContact O-N 3.23Å; E1661-V1665 WeakPolarHBondContact O-CG2 3.21Å; E1661-V1665 PolarHBondContact O-N 2.77Å; E1661-V1665 VanDerWaalsContact O-N 3.11Å; E1661-L1713 HydrophobicContact CG-CD1 3.65Å; E1661-F1717 WeakPolarHBondContact OE1-CE2 3.5Å; E1661-F1717 WeakPolarHBondContact OE1-CZ 3.44Å
1662C89.1Confident88.2Confident61 Ų6127 Ų2741%0.41215%0.15SC..Hα-helixtrans-63.8-43.2175.2-68.60000112.6T1658 Y1659 I1664 V1665 I1666T1658-C1662 WeakPolarHBondContact O-CB 3.45Å; T1658-C1662 PolarHBondContact O-N 3.08Å; T1658-C1662 PolarHBondContact O-SG 2.87Å; Y1659-C1662 PolarHBondContact O-N 3.39Å; C1662-I1664 PolarHBondContact O-N 3.12Å; C1662-V1665 PolarHBondContact O-N 2.58Å; C1662-I1666 WeakPolarHBondContact O-CB 3.49Å; C1662-I1666 VanDerWaalsContact O-CG1 3.24Å; C1662-I1666 WeakPolarHBondContact O-CG1 3.43Å; C1662-I1666 PolarHBondContact O-N 2.94Å
1663V88.7Confident87.5Confident2 Ų228.9 Ų28.91%0.01217%0.166CC..Hα-helixtrans-63.9-39178.41680000111.5I1629 T1630 Y1659 T1660 K1667 D1709I1629-V1663 HydrophobicContact CG2-CG1 4.32Å; I1629-V1663 HydrophobicContact CG2-CG2 3.79Å; T1630-V1663 HydrophobicContact CG2-CG1 4.41Å; Y1659-V1663 HydrophobicContact CD1-CG2 3.76Å; Y1659-V1663 HydrophobicContact CE1-CG2 3.45Å; Y1659-V1663 VanDerWaalsContact CE1-CG2 3.45Å; Y1659-V1663 WeakPolarHBondContact O-CB 3.41Å; Y1659-V1663 VanDerWaalsContact O-CG2 3.29Å; Y1659-V1663 WeakPolarHBondContact O-CG2 3.43Å; Y1659-V1663 PolarHBondContact O-N 3.46Å; T1660-V1663 PolarHBondContact O-N 2.76Å; V1663-K1667 HydrophobicContact CG1-CD 3.83Å; V1663-K1667 HydrophobicContact CG1-CG 4.27Å; V1663-K1667 VanDerWaalsContact O-CB 3.26Å; V1663-K1667 WeakPolarHBondContact O-CB 3.41Å; V1663-K1667 VanDerWaalsContact O-CG 3.24Å; V1663-K1667 WeakPolarHBondContact O-CG 3.5Å; V1663-K1667 PolarHBondContact O-N 2.88Å; V1663-D1709 WeakPolarHBondContact CG1-OD1 3.38Å
1664I87.9Confident86.9Confident11 Ų1132.4 Ų32.46%0.05618%0.182CC..Hα-helixtrans-63.6-46.7175.1-70.5164.8000110.7T1660 E1661 C1662 K1667 F1668 D1709 I1710 L1713T1660-I1664 VanDerWaalsContact O-CG1 3.28Å; T1660-I1664 WeakPolarHBondContact O-CG1 3.39Å; T1660-I1664 PolarHBondContact O-N 3.45Å; E1661-I1664 PolarHBondContact O-N 3.23Å; C1662-I1664 PolarHBondContact O-N 3.12Å; I1664-K1667 PolarHBondContact O-N 3.21Å; I1664-F1668 WeakPolarHBondContact O-CB 3.28Å; I1664-F1668 PolarHBondContact O-N 2.81Å; I1664-D1709 HydrophobicContact CD1-CB 4.06Å; I1664-D1709 HydrophobicContact CG1-CB 3.67Å; I1664-I1710 HydrophobicContact CD1-CG1 4.2Å; I1664-L1713 HydrophobicContact CD1-CB 4.22Å; I1664-L1713 HydrophobicContact CD1-CD2 3.89Å; I1664-L1713 HydrophobicContact CD1-CG 4.49Å
1665V86Confident86.5Confident59 Ų5932.6 Ų32.636%0.35818%0.181SC..Hα-helixtrans-65.4-44.1178.9173.60000111.7E1661 C1662 F1668 V1669E1661-V1665 WeakPolarHBondContact O-CG2 3.21Å; E1661-V1665 PolarHBondContact O-N 2.77Å; E1661-V1665 VanDerWaalsContact O-N 3.11Å; C1662-V1665 PolarHBondContact O-N 2.58Å; V1665-F1668 PolarHBondContact O-N 3.04Å; V1665-V1669 HydrophobicContact CG1-CG2 4.49Å; V1665-V1669 WeakPolarHBondContact O-CG2 2.94Å; V1665-V1669 PolarHBondContact O-N 2.88Å
1666I86.5Confident85.9Confident82 Ų8235.4 Ų35.442%0.42120%0.2SC..Hα-helixtrans-62.3-48.4176.7-70.1165.4000110.3C1662 F1668 V1669 C1670C1662-I1666 WeakPolarHBondContact O-CB 3.49Å; C1662-I1666 VanDerWaalsContact O-CG1 3.24Å; C1662-I1666 WeakPolarHBondContact O-CG1 3.43Å; C1662-I1666 PolarHBondContact O-N 2.94Å; I1666-F1668 VanDerWaalsContact C-N 3.33Å; I1666-F1668 PolarHBondContact O-N 3.47Å; I1666-V1669 PolarHBondContact O-N 3.15Å; I1666-C1670 VanDerWaalsContact O-CB 3.3Å; I1666-C1670 WeakPolarHBondContact O-CB 3.46Å; I1666-C1670 PolarHBondContact O-N 3.03Å; I1666-C1670 PolarHBondContact O-SG 2.98Å
1667K86.2Confident85.4Confident7 Ų737.9 Ų37.93%0.0321%0.209CC..Hα-helixtrans-58.9-44.2177.3-77.2175171.6173.70111.8V1663 I1664 C1670 Q1671 F1705 D1709V1663-K1667 HydrophobicContact CG1-CD 3.83Å; V1663-K1667 HydrophobicContact CG1-CG 4.27Å; V1663-K1667 VanDerWaalsContact O-CB 3.26Å; V1663-K1667 WeakPolarHBondContact O-CB 3.41Å; V1663-K1667 VanDerWaalsContact O-CG 3.24Å; V1663-K1667 WeakPolarHBondContact O-CG 3.5Å; V1663-K1667 PolarHBondContact O-N 2.88Å; I1664-K1667 PolarHBondContact O-N 3.21Å; K1667-C1670 CarbonylContact O-C 3.56Å; K1667-C1670 PolarHBondContact O-N 2.94Å; K1667-Q1671 WeakPolarHBondContact O-CG 3.48Å; K1667-Q1671 PolarHBondContact O-N 2.99Å; K1667-Q1671 VanDerWaalsContact O-N 3.1Å; K1667-Q1671 PolarHBondContact O-NE2 3.2Å; K1667-F1705 HydrophobicContact CB-CD2 3.9Å; K1667-F1705 HydrophobicContact CB-CE2 4.3Å; K1667-D1709 IonicContact NZ-OD1 3.66Å; K1667-D1709 PolarHBondContact NZ-OD1 3.43Å; K1667-D1709 IonicContact NZ-OD2 2.91Å; K1667-D1709 PolarHBondContact NZ-OD2 3.32Å
1668F85.8Confident84.9Confident2 Ų238.1 Ų38.11%0.00921%0.211CC..Hα-helixtrans-59.5-52.4176.9-177.6-80.2000111.6A1186 L1187 I1190 I1664 V1665 I1666 C1670 Q1671 F1672 F1705A1186-F1668 HydrophobicContact CB-CE2 4.32Å; A1186-F1668 HydrophobicContact CB-CZ 4.2Å; L1187-F1668 HydrophobicContact CB-CE1 3.85Å; L1187-F1668 HydrophobicContact CB-CZ 4.07Å; L1187-F1668 HydrophobicContact CD1-CD1 4.14Å; L1187-F1668 HydrophobicContact CD1-CE1 4.06Å; L1187-F1668 HydrophobicContact CG-CE1 4.44Å; I1190-F1668 HydrophobicContact CD1-CD2 3.47Å; I1190-F1668 VanDerWaalsContact CD1-CD2 3.47Å; I1190-F1668 HydrophobicContact CD1-CE2 3.64Å; I1190-F1668 HydrophobicContact CD1-CG 4.13Å; I1190-F1668 HydrophobicContact CD1-CZ 4.42Å; I1664-F1668 WeakPolarHBondContact O-CB 3.28Å; I1664-F1668 PolarHBondContact O-N 2.81Å; V1665-F1668 PolarHBondContact O-N 3.04Å; I1666-F1668 VanDerWaalsContact C-N 3.33Å; I1666-F1668 PolarHBondContact O-N 3.47Å; F1668-C1670 PolarHBondContact O-N 3.41Å; F1668-Q1671 PolarHBondContact O-N 2.73Å; F1668-F1672 HydrophobicContact CE1-CE2 4.26Å; F1668-F1672 HydrophobicContact CE1-CZ 4.24Å; F1668-F1705 HydrophobicContact CB-CE2 4.23Å; F1668-F1705 HydrophobicContact CB-CZ 4.45Å; F1668-F1705 HydrophobicContact CD2-CZ 4.08Å
1669V85.2Confident84.2Confident56 Ų5637.2 Ų37.234%0.33921%0.207SC..Hα-helixtrans-60.4-31.4177.4171.90000111.6V1665 I1666 F1672 M1675V1665-V1669 HydrophobicContact CG1-CG2 4.49Å; V1665-V1669 WeakPolarHBondContact O-CG2 2.94Å; V1665-V1669 PolarHBondContact O-N 2.88Å; I1666-V1669 PolarHBondContact O-N 3.15Å; V1669-F1672 WeakPolarHBondContact O-CD2 3.36Å; V1669-M1675 HydrophobicContact CG1-CE 4.24Å; V1669-M1675 WeakPolarHBondContact O-CE 3.46Å
1670C86.2Confident83.5Confident23 Ų2339.4 Ų39.416%0.15522%0.222CC..THydrogen-bonded Turntrans-81.8-7.2176.6-70.10000115.1I1666 K1667 F1668 Y1677 N1678 V1699I1666-C1670 VanDerWaalsContact O-CB 3.3Å; I1666-C1670 WeakPolarHBondContact O-CB 3.46Å; I1666-C1670 PolarHBondContact O-N 3.03Å; I1666-C1670 PolarHBondContact O-SG 2.98Å; K1667-C1670 CarbonylContact O-C 3.56Å; K1667-C1670 PolarHBondContact O-N 2.94Å; F1668-C1670 PolarHBondContact O-N 3.41Å; C1670-Y1677 WeakPolarHBondContact CA-OH 3.49Å; C1670-Y1677 VanDerWaalsContact CB-OH 3.26Å; C1670-Y1677 WeakPolarHBondContact CB-OH 3.29Å; C1670-Y1677 PolarHBondContact O-OH 2.84Å; C1670-N1678 PolarHBondContact O-ND2 3.42Å; C1670-V1699 HydrophobicContact CB-CG1 3.33Å
1671Q83.2Confident82.9Confident6 Ų644.5 Ų44.53%0.02825%0.253CS..THydrogen-bonded Turntrans-79.6-20.5171.8-64.4-51.8-87.200113.2T1182 K1667 F1668 A1673 N1678 V1699 Q1701 R1702 F1705T1182-Q1671 HydrophobicContact CG2-CB 3.68Å; T1182-Q1671 HydrophobicContact CG2-CG 4.36Å; K1667-Q1671 WeakPolarHBondContact O-CG 3.48Å; K1667-Q1671 PolarHBondContact O-N 2.99Å; K1667-Q1671 VanDerWaalsContact O-N 3.1Å; K1667-Q1671 PolarHBondContact O-NE2 3.2Å; F1668-Q1671 PolarHBondContact O-N 2.73Å; Q1671-A1673 PolarHBondContact O-N 2.89Å; Q1671-N1678 PolarHBondContact O-ND2 2.91Å; Q1671-V1699 PolarHBondContact NE2-O 3.25Å; Q1671-Q1701 VanDerWaalsContact OE1-CA 3.29Å; Q1671-R1702 PolarHBondContact OE1-O 3.16Å; Q1671-F1705 HydrophobicContact CG-CB 4.35Å; Q1671-F1705 HydrophobicContact CG-CD1 3.6Å; Q1671-F1705 HydrophobicContact CG-CD2 3.92Å; Q1671-F1705 HydrophobicContact CG-CE1 3.78Å; Q1671-F1705 HydrophobicContact CG-CE2 4.06Å; Q1671-F1705 HydrophobicContact CG-CG 3.68Å; Q1671-F1705 HydrophobicContact CG-CZ 4Å
1672F81.3Confident82.6Confident13 Ų1347 Ų476%0.05726%0.261CS..  trans-53.8134.9-176.9-82-68.7000112.2T1182 L1264 F1668 V1669 F1674 M1675 N1678T1182-F1672 WeakPolarHBondContact O-CE1 3.35Å; T1182-F1672 VanDerWaalsContact O-CZ 3.26Å; T1182-F1672 WeakPolarHBondContact O-CZ 3.38Å; L1264-F1672 HydrophobicContact CD1-CZ 4.5Å; F1668-F1672 HydrophobicContact CE1-CE2 4.26Å; F1668-F1672 HydrophobicContact CE1-CZ 4.24Å; V1669-F1672 WeakPolarHBondContact O-CD2 3.36Å; F1672-F1674 HydrophobicContact CB-CD1 3.73Å; F1672-F1674 HydrophobicContact CB-CE1 3.38Å; F1672-F1674 HydrophobicContact CB-CE2 4.36Å; F1672-F1674 HydrophobicContact CB-CG 4.36Å; F1672-F1674 HydrophobicContact CB-CZ 3.72Å; F1672-F1674 HydrophobicContact CD1-CD1 4.4Å; F1672-F1674 AromaticContact CD1-CE1 3.85Å; F1672-F1674 HydrophobicContact CD1-CE1 3.85Å; F1672-F1674 AromaticContact CD2-CE1 3.9Å; F1672-F1674 HydrophobicContact CD2-CE1 3.9Å; F1672-F1674 AromaticContact CD2-CZ 3.97Å; F1672-F1674 HydrophobicContact CD2-CZ 3.97Å; F1672-F1674 HydrophobicContact CG-CD1 4.19Å; F1672-F1674 AromaticContact CG-CE1 3.47Å; F1672-F1674 HydrophobicContact CG-CE1 3.47Å; F1672-F1674 VanDerWaalsContact CG-CE1 3.47Å; F1672-F1674 AromaticContact CG-CZ 3.93Å; F1672-F1674 HydrophobicContact CG-CZ 3.93Å; F1672-F1674 PolarHBondContact O-N 2.73Å; F1672-M1675 WeakPolarHBondContact O-CB 3.38Å; F1672-M1675 WeakPolarHBondContact O-CG 3.24Å; F1672-M1675 PolarHBondContact O-N 2.8Å; F1672-M1675 VanDerWaalsContact O-N 3.16Å; F1672-N1678 PolarHBondContact O-ND2 2.77Å
1673A74Confident82.1Confident40 Ų4049.3 Ų49.333%0.33126%0.262SS..THydrogen-bonded Turntrans-68.7-13.8-174.300000114.8Q1263 Q1671 M1675Q1263-A1673 HydrophobicContact CG-CB 4.48Å; Q1671-A1673 PolarHBondContact O-N 2.89Å; A1673-M1675 VanDerWaalsContact C-N 3.25Å; A1673-M1675 PolarHBondContact O-N 3.32Å
1674F77.7Confident81.6Confident81 Ų8153.6 Ų53.636%0.35529%0.288SS..THydrogen-bonded Turntrans-74.3-12.4173.363.4-107.9000113.7I1260 F1672I1260-F1674 HydrophobicContact CG1-CB 4.17Å; F1672-F1674 HydrophobicContact CB-CD1 3.73Å; F1672-F1674 HydrophobicContact CB-CE1 3.38Å; F1672-F1674 HydrophobicContact CB-CE2 4.36Å; F1672-F1674 HydrophobicContact CB-CG 4.36Å; F1672-F1674 HydrophobicContact CB-CZ 3.72Å; F1672-F1674 HydrophobicContact CD1-CD1 4.4Å; F1672-F1674 AromaticContact CD1-CE1 3.85Å; F1672-F1674 HydrophobicContact CD1-CE1 3.85Å; F1672-F1674 AromaticContact CD2-CE1 3.9Å; F1672-F1674 HydrophobicContact CD2-CE1 3.9Å; F1672-F1674 AromaticContact CD2-CZ 3.97Å; F1672-F1674 HydrophobicContact CD2-CZ 3.97Å; F1672-F1674 HydrophobicContact CG-CD1 4.19Å; F1672-F1674 AromaticContact CG-CE1 3.47Å; F1672-F1674 HydrophobicContact CG-CE1 3.47Å; F1672-F1674 VanDerWaalsContact CG-CE1 3.47Å; F1672-F1674 AromaticContact CG-CZ 3.93Å; F1672-F1674 HydrophobicContact CG-CZ 3.93Å; F1672-F1674 PolarHBondContact O-N 2.73Å
1675M80.9Confident81.3Confident41 Ų4160.1 Ų60.120%0.20232%0.318CS..SBendtrans-70.4128.3176.4-65.7-66-169.800110.1V1669 F1672 A1673 Y1677 N1678V1669-M1675 HydrophobicContact CG1-CE 4.24Å; V1669-M1675 WeakPolarHBondContact O-CE 3.46Å; F1672-M1675 WeakPolarHBondContact O-CB 3.38Å; F1672-M1675 WeakPolarHBondContact O-CG 3.24Å; F1672-M1675 PolarHBondContact O-N 2.8Å; F1672-M1675 VanDerWaalsContact O-N 3.16Å; A1673-M1675 VanDerWaalsContact C-N 3.25Å; A1673-M1675 PolarHBondContact O-N 3.32Å; M1675-Y1677 VanDerWaalsContact C-N 3.27Å; M1675-Y1677 HydrophobicContact CB-CD1 4.36Å; M1675-Y1677 HydrophobicContact CB-CE1 3.78Å; M1675-Y1677 HydrophobicContact CB-CE2 4.11Å; M1675-Y1677 HydrophobicContact CG-CE1 4.29Å; M1675-Y1677 WeakPolarHBondContact CG-OH 3.21Å; M1675-Y1677 PolarHBondContact O-N 2.76Å; M1675-Y1677 VanDerWaalsContact O-N 3.15Å; M1675-Y1677 HydrophobicContact SD-CE1 4.46Å; M1675-N1678 HydrophobicContact CB-CB 4.48Å; M1675-N1678 WeakPolarHBondContact O-CB 3.49Å; M1675-N1678 PolarHBondContact O-N 3.02Å
1676P78.6Confident81Confident99 Ų9959.4 Ų59.464%0.64331%0.311SS*.G310 helixtrans-62.8-30.7-168.222.5-33.4000113.8N1678 S1679P1676-N1678 VanDerWaalsContact C-N 3.3Å; P1676-N1678 PolarHBondContact O-N 3.45Å; P1676-S1679 VanDerWaalsContact O-CB 3.28Å; P1676-S1679 WeakPolarHBondContact O-CB 3.44Å; P1676-S1679 PolarHBondContact O-N 3.01Å; P1676-S1679 PolarHBondContact O-OG 2.88Å
1677Y81.6Confident80.4Confident52 Ų5261.7 Ų61.720%0.20432%0.32CS..G310 helixtrans-75-15.3176.559.2-100000113.9C1670 M1675 S1679 D1694 V1699C1670-Y1677 WeakPolarHBondContact CA-OH 3.49Å; C1670-Y1677 VanDerWaalsContact CB-OH 3.26Å; C1670-Y1677 WeakPolarHBondContact CB-OH 3.29Å; C1670-Y1677 PolarHBondContact O-OH 2.84Å; M1675-Y1677 VanDerWaalsContact C-N 3.27Å; M1675-Y1677 HydrophobicContact CB-CD1 4.36Å; M1675-Y1677 HydrophobicContact CB-CE1 3.78Å; M1675-Y1677 HydrophobicContact CB-CE2 4.11Å; M1675-Y1677 HydrophobicContact CG-CE1 4.29Å; M1675-Y1677 WeakPolarHBondContact CG-OH 3.21Å; M1675-Y1677 PolarHBondContact O-N 2.76Å; M1675-Y1677 VanDerWaalsContact O-N 3.15Å; M1675-Y1677 HydrophobicContact SD-CE1 4.46Å; Y1677-S1679 VanDerWaalsContact C-N 3.32Å; Y1677-D1694 HydrophobicContact CD2-CB 4.25Å; Y1677-V1699 HydrophobicContact CE2-CG1 4.36Å
1678N79.2Confident79.6Confident7 Ų769.2 Ų69.24%0.03736%0.357CS..G310 helixtrans-82.1-13.5173.2-71.6-23.4000112C1670 Q1671 F1672 M1675 P1676 R1683C1670-N1678 PolarHBondContact O-ND2 3.42Å; Q1671-N1678 PolarHBondContact O-ND2 2.91Å; F1672-N1678 PolarHBondContact O-ND2 2.77Å; M1675-N1678 HydrophobicContact CB-CB 4.48Å; M1675-N1678 WeakPolarHBondContact O-CB 3.49Å; M1675-N1678 PolarHBondContact O-N 3.02Å; P1676-N1678 VanDerWaalsContact C-N 3.3Å; P1676-N1678 PolarHBondContact O-N 3.45Å; N1678-R1683 PolarHBondContact O-NH2 2.85Å
1679S77.2Confident79.2Confident40 Ų4072 Ų7228%0.2837%0.372SS..SBendtrans-54.6146.6175.467.80000112.2P1676 Y1677 T1681 W1682 R1683P1676-S1679 VanDerWaalsContact O-CB 3.28Å; P1676-S1679 WeakPolarHBondContact O-CB 3.44Å; P1676-S1679 PolarHBondContact O-N 3.01Å; P1676-S1679 PolarHBondContact O-OG 2.88Å; Y1677-S1679 VanDerWaalsContact C-N 3.32Å; S1679-T1681 VanDerWaalsContact C-N 3.25Å; S1679-T1681 PolarHBondContact O-N 3.5Å; S1679-T1681 PolarHBondContact OG-OG1 3.34Å; S1679-W1682 PolarHBondContact O-N 2.83Å; S1679-W1682 WeakPolarHBondContact OG-CB 3.46Å; S1679-W1682 PolarHBondContact OG-N 3.1Å; S1679-R1683 PolarHBondContact O-N 2.94Å
1680I76.3Confident78.5Confident116 Ų11670 Ų7060%0.59536%0.36SS*.Hα-helixtrans-59.7-41.4-179.9-59.6174.1000109.9R1683 T1684I1680-R1683 PolarHBondContact O-N 3.28Å; I1680-T1684 PolarHBondContact O-N 3.11Å; I1680-T1684 PolarHBondContact O-OG1 2.83Å
1681T80Confident78Confident108 Ų10872.4 Ų72.466%0.66337%0.37SS*.Hα-helixtrans-57.4-52.3177.542.30000112.9S1679 R1683 T1684 E1685S1679-T1681 VanDerWaalsContact C-N 3.25Å; S1679-T1681 PolarHBondContact O-N 3.5Å; S1679-T1681 PolarHBondContact OG-OG1 3.34Å; T1681-R1683 VanDerWaalsContact C-N 3.31Å; T1681-R1683 PolarHBondContact O-N 3.37Å; T1681-T1684 PolarHBondContact O-N 2.89Å; T1681-E1685 WeakPolarHBondContact O-CB 3.48Å; T1681-E1685 PolarHBondContact O-N 3.26Å; T1681-E1685 VanDerWaalsContact O-N 3.09Å
1682W83.8Confident77.9Confident80 Ų8072.4 Ų72.430%0.30337%0.371SS..Hα-helixtrans-58.9-44.7178.1179.7-87.3000111.8S1679 T1684 E1685 H1686 D1694S1679-W1682 PolarHBondContact O-N 2.83Å; S1679-W1682 WeakPolarHBondContact OG-CB 3.46Å; S1679-W1682 PolarHBondContact OG-N 3.1Å; W1682-T1684 PolarHBondContact O-N 2.73Å; W1682-E1685 PolarHBondContact O-N 2.94Å; W1682-H1686 AromaticContact CD2-CE1 3.88Å; W1682-H1686 AromaticContact CD2-ND1 3.64Å; W1682-H1686 AromaticContact CE2-CE1 3.97Å; W1682-H1686 AromaticContact CE2-ND1 3.71Å; W1682-H1686 AromaticContact CE3-CE1 3.74Å; W1682-H1686 AromaticContact CE3-ND1 3.95Å; W1682-H1686 AromaticContact CH2-CE1 3.83Å; W1682-H1686 AromaticContact CH2-NE2 3.96Å; W1682-H1686 AromaticContact CZ2-CE1 3.97Å; W1682-H1686 AromaticContact CZ3-CE1 3.72Å; W1682-H1686 WeakPolarHBondContact O-CB 3.21Å; W1682-H1686 PolarHBondContact O-N 3.2Å; W1682-H1686 PolarHBondContact O-ND1 2.91Å; W1682-D1694 PolarHBondContact NE1-OD1 3.45Å; W1682-D1694 VanDerWaalsContact NE1-OD1 3.08Å
1683R77.1Confident77.9Confident111 Ų11177 Ų7742%0.41940%0.395SS..Hα-helixtrans-63.6-40.2-176.6-165.3-175.2-47.3-159.83.8112.5N1678 S1679 I1680 T1681 Q1687N1678-R1683 PolarHBondContact O-NH2 2.85Å; S1679-R1683 PolarHBondContact O-N 2.94Å; I1680-R1683 PolarHBondContact O-N 3.28Å; T1681-R1683 VanDerWaalsContact C-N 3.31Å; T1681-R1683 PolarHBondContact O-N 3.37Å; R1683-Q1687 WeakPolarHBondContact O-CA 3.27Å; R1683-Q1687 WeakPolarHBondContact O-CB 3.4Å; R1683-Q1687 PolarHBondContact O-N 3.04Å
1684T78.9Confident78.1Confident92 Ų9276.1 Ų76.156%0.56439%0.385SS*.Hα-helixtrans-70.6-47.3177.2-60.80000111.5I1680 T1681 W1682 H1686 Q1687I1680-T1684 PolarHBondContact O-N 3.11Å; I1680-T1684 PolarHBondContact O-OG1 2.83Å; T1681-T1684 PolarHBondContact O-N 2.89Å; W1682-T1684 PolarHBondContact O-N 2.73Å; T1684-H1686 PolarHBondContact O-N 3.22Å; T1684-Q1687 WeakPolarHBondContact O-CB 3.44Å; T1684-Q1687 PolarHBondContact O-N 3.04Å
1685E81.1Confident78.1Confident148 Ų14874.8 Ų74.869%0.69238%0.379SS*.Hα-helixtrans-58.6-48.3179.3-179177-144.300111.8T1681 W1682 Q1687T1681-E1685 WeakPolarHBondContact O-CB 3.48Å; T1681-E1685 PolarHBondContact O-N 3.26Å; T1681-E1685 VanDerWaalsContact O-N 3.09Å; W1682-E1685 PolarHBondContact O-N 2.94Å; E1685-Q1687 VanDerWaalsContact C-N 3.34Å; E1685-Q1687 PolarHBondContact O-N 3.2Å
1686H80.4Confident78Confident44 Ų4475.1 Ų75.120%0.20438%0.382CS..THydrogen-bonded Turntrans-88.25.4-175.7-65.580.7000113.5W1682 T1684 M1688 D1689 K1695W1682-H1686 AromaticContact CD2-CE1 3.88Å; W1682-H1686 AromaticContact CD2-ND1 3.64Å; W1682-H1686 AromaticContact CE2-CE1 3.97Å; W1682-H1686 AromaticContact CE2-ND1 3.71Å; W1682-H1686 AromaticContact CE3-CE1 3.74Å; W1682-H1686 AromaticContact CE3-ND1 3.95Å; W1682-H1686 AromaticContact CH2-CE1 3.83Å; W1682-H1686 AromaticContact CH2-NE2 3.96Å; W1682-H1686 AromaticContact CZ2-CE1 3.97Å; W1682-H1686 AromaticContact CZ3-CE1 3.72Å; W1682-H1686 WeakPolarHBondContact O-CB 3.21Å; W1682-H1686 PolarHBondContact O-N 3.2Å; W1682-H1686 PolarHBondContact O-ND1 2.91Å; T1684-H1686 PolarHBondContact O-N 3.22Å; H1686-M1688 VanDerWaalsContact C-N 3.34Å; H1686-M1688 PolarHBondContact O-N 3.4Å; H1686-D1689 PolarHBondContact O-N 2.88Å; H1686-K1695 PolarHBondContact O-NZ 3.26Å
1687Q73.5Confident78.3Confident130 Ų13074.7 Ų74.761%0.60737%0.37SS*.THydrogen-bonded Turntrans-56.2-43.7-169.6-172.4170-18.700113.4R1683 T1684 E1685 K1695R1683-Q1687 WeakPolarHBondContact O-CA 3.27Å; R1683-Q1687 WeakPolarHBondContact O-CB 3.4Å; R1683-Q1687 PolarHBondContact O-N 3.04Å; T1684-Q1687 WeakPolarHBondContact O-CB 3.44Å; T1684-Q1687 PolarHBondContact O-N 3.04Å; E1685-Q1687 VanDerWaalsContact C-N 3.34Å; E1685-Q1687 PolarHBondContact O-N 3.2Å; Q1687-K1695 PolarHBondContact O-NZ 3.1Å
1688M69.4Low78.1Confident164 Ų16473 Ų7381%0.80837%0.367SS*.THydrogen-bonded Turntrans-83-14.9-176.9-68.3-63.3-170.900114.7H1686 P1690H1686-M1688 VanDerWaalsContact C-N 3.34Å; H1686-M1688 PolarHBondContact O-N 3.4Å; M1688-P1690 VanDerWaalsContact O-CD 3.29Å; M1688-P1690 WeakPolarHBondContact O-CD 3.38Å
1689D77Confident78.1Confident61 Ų6173.3 Ų73.333%0.32637%0.37SS..  trans-84.7115.8-179.3-175.57.2000111.4H1686 M1691 S1692 K1695H1686-D1689 PolarHBondContact O-N 2.88Å; D1689-M1691 VanDerWaalsContact C-N 3.26Å; D1689-M1691 PolarHBondContact O-N 3.32Å; D1689-M1691 PolarHBondContact OD1-N 2.81Å; D1689-S1692 PolarHBondContact O-OG 3.31Å; D1689-K1695 PolarHBondContact O-NZ 3.38Å
1690P70.7Confident78Confident15 Ų1572.6 Ų72.610%0.09737%0.365CS..THydrogen-bonded Turntrans-71.6-16.1174.830.5-35.6000114M1688 P1916M1688-P1690 VanDerWaalsContact O-CD 3.29Å; M1688-P1690 WeakPolarHBondContact O-CD 3.38Å; P1690-P1916 HydrophobicContact CB-CB 4.11Å
1691M77.1Confident78Confident73 Ų7369.4 Ų69.436%0.3635%0.347SS..THydrogen-bonded Turntrans-97.33-175.4-58.2-62.9-78.200113.8D1689D1689-M1691 VanDerWaalsContact C-N 3.26Å; D1689-M1691 PolarHBondContact O-N 3.32Å; D1689-M1691 PolarHBondContact OD1-N 2.81Å
1692S79.9Confident77.8Confident6 Ų669 Ų694%0.04233%0.334CS..  trans-56.4138.2173.840.20000112D1689 D1694 K1695 L1696D1689-S1692 PolarHBondContact O-OG 3.31Å; S1692-D1694 VanDerWaalsContact C-N 3.32Å; S1692-D1694 PolarHBondContact O-N 2.79Å; S1692-K1695 PolarHBondContact O-N 3.17Å; S1692-K1695 VanDerWaalsContact OG-CD 3.26Å; S1692-K1695 WeakPolarHBondContact OG-CD 3.35Å; S1692-K1695 WeakPolarHBondContact OG-CE 3.49Å; S1692-K1695 PolarHBondContact OG-NZ 2.95Å; S1692-L1696 PolarHBondContact O-N 2.92Å
1693L80.9Confident77.2Confident109 Ų10971.3 Ų71.357%0.57135%0.352SS*.Hα-helixtrans-59.1-38.6-167.2-67.8175.8000113.6K1695 L1696 F1697L1693-K1695 VanDerWaalsContact C-N 3.29Å; L1693-K1695 PolarHBondContact O-N 3.23Å; L1693-L1696 PolarHBondContact O-N 2.76Å; L1693-F1697 HydrophobicContact CD2-CE2 4.41Å; L1693-F1697 WeakPolarHBondContact O-CD2 3.38Å; L1693-F1697 PolarHBondContact O-N 3.15Å
1694D79.3Confident77.1Confident21 Ų2170 Ų7011%0.11236%0.36CS..Hα-helixtrans-65.4-31.1178.160.6-79.7000112.6Y1677 W1682 S1692 G1698 V1699 S1700Y1677-D1694 HydrophobicContact CD2-CB 4.25Å; W1682-D1694 PolarHBondContact NE1-OD1 3.45Å; W1682-D1694 VanDerWaalsContact NE1-OD1 3.08Å; S1692-D1694 VanDerWaalsContact C-N 3.32Å; S1692-D1694 PolarHBondContact O-N 2.79Å; D1694-G1698 PolarHBondContact O-N 3.19Å; D1694-V1699 PolarHBondContact O-N 3.09Å; D1694-S1700 PolarHBondContact O-N 2.92Å; D1694-S1700 VanDerWaalsContact O-N 3.14Å
1695K76.7Confident77.1Confident53 Ų5367 Ų6723%0.2334%0.339CS..Hα-helixtrans-82.1-41.7174.7-57.2-178.1-155.4160.20111.5H1686 Q1687 D1689 S1692 L1693 F1697 G1698H1686-K1695 PolarHBondContact O-NZ 3.26Å; Q1687-K1695 PolarHBondContact O-NZ 3.1Å; D1689-K1695 PolarHBondContact O-NZ 3.38Å; S1692-K1695 PolarHBondContact O-N 3.17Å; S1692-K1695 VanDerWaalsContact OG-CD 3.26Å; S1692-K1695 WeakPolarHBondContact OG-CD 3.35Å; S1692-K1695 WeakPolarHBondContact OG-CE 3.49Å; S1692-K1695 PolarHBondContact OG-NZ 2.95Å; L1693-K1695 VanDerWaalsContact C-N 3.29Å; L1693-K1695 PolarHBondContact O-N 3.23Å; K1695-F1697 PolarHBondContact O-N 3.11Å; K1695-G1698 PolarHBondContact O-N 3.32Å; K1695-G1698 VanDerWaalsContact O-N 3.09Å
1696L80.1Confident76.9Confident49 Ų4960 Ų6026%0.25731%0.307SS..Hα-helixtrans-61-43.6179.4-178.163.5000112L1628 S1692 L1693 L1913L1628-L1696 WeakPolarHBondContact CB-O 3.44Å; L1628-L1696 PolarHBondContact N-O 3.42Å; S1692-L1696 PolarHBondContact O-N 2.92Å; L1693-L1696 PolarHBondContact O-N 2.76Å; L1696-L1913 HydrophobicContact CD1-CD2 4.1Å
1697F84Confident77Confident90 Ų9062.1 Ų62.140%0.39532%0.319SS..Hα-helixtrans-77-21.3173.9-75.2-68.2000113.4G1627 L1628 I1629 L1693 K1695 V1699G1627-F1697 WeakPolarHBondContact CA-O 3.14Å; L1628-F1697 HydrophobicContact CB-CD1 4.15Å; L1628-F1697 HydrophobicContact CD2-CD1 4.29Å; L1628-F1697 HydrophobicContact CD2-CE1 3.95Å; L1628-F1697 PolarHBondContact N-O 3.42Å; I1629-F1697 WeakPolarHBondContact CB-O 3.25Å; I1629-F1697 HydrophobicContact CD1-CB 4.08Å; I1629-F1697 HydrophobicContact CD1-CD1 4.4Å; I1629-F1697 HydrophobicContact CG1-CB 4.18Å; I1629-F1697 HydrophobicContact CG1-CD1 4Å; I1629-F1697 WeakPolarHBondContact CG1-O 3.19Å; I1629-F1697 PolarHBondContact N-O 3.21Å; L1693-F1697 HydrophobicContact CD2-CE2 4.41Å; L1693-F1697 WeakPolarHBondContact O-CD2 3.38Å; L1693-F1697 PolarHBondContact O-N 3.15Å; K1695-F1697 PolarHBondContact O-N 3.11Å; F1697-V1699 HydrophobicContact CB-CG2 3.72Å
1698G77.2Confident77.6Confident15 Ų1560 Ų6016%0.15531%0.305CS..THydrogen-bonded Turntrans82.738.6-177.700000113.9D1694 K1695D1694-G1698 PolarHBondContact O-N 3.19Å; K1695-G1698 PolarHBondContact O-N 3.32Å; K1695-G1698 VanDerWaalsContact O-N 3.09Å
1699V79.8Confident78.5Confident15 Ų1552.2 Ų52.29%0.09127%0.267CS..  trans-117.2-12.9-165.8-1790000113.4I1629 C1670 Q1671 Y1677 D1694 F1697I1629-V1699 HydrophobicContact CD1-CG2 3.56Å; C1670-V1699 HydrophobicContact CB-CG1 3.33Å; Q1671-V1699 PolarHBondContact NE2-O 3.25Å; Y1677-V1699 HydrophobicContact CE2-CG1 4.36Å; D1694-V1699 PolarHBondContact O-N 3.09Å; F1697-V1699 HydrophobicContact CB-CG2 3.72Å
1700S75Confident79Confident24 Ų2450.1 Ų50.117%0.16826%0.256CS..  trans-40.8137.1173.962.10000114.3D1694 R1702D1694-S1700 PolarHBondContact O-N 2.92Å; D1694-S1700 VanDerWaalsContact O-N 3.14Å; S1700-R1702 PolarHBondContact O-N 2.79Å
1701Q76.4Confident79.8Confident49 Ų4951.8 Ų51.823%0.22927%0.266CS..  trans-58.9131.1177.8-172.5-173.9-4.900112.1E1290 Q1671E1290-Q1701 PolarHBondContact OE1-NE2 3.08Å; E1290-Q1701 VanDerWaalsContact OE1-NE2 3.11Å; Q1671-Q1701 VanDerWaalsContact OE1-CA 3.29Å
1702R74.9Confident80.4Confident101 Ų10148.3 Ų48.338%0.38125%0.248SC..  trans-152.1140.1177.1-63.6-176.4-176.3-174.6-0.2112.4Q1671 S1700 S1704 F1705Q1671-R1702 PolarHBondContact OE1-O 3.16Å; S1700-R1702 PolarHBondContact O-N 2.79Å; R1702-S1704 PolarHBondContact O-N 3.29Å; R1702-F1705 HydrophobicContact CB-CB 4.48Å; R1702-F1705 WeakPolarHBondContact O-CD1 3.47Å; R1702-F1705 PolarHBondContact O-N 3.34Å; R1702-F1705 VanDerWaalsContact O-N 3.14Å
1703D72.3Confident80.9Confident128 Ų12848.1 Ų48.168%0.68425%0.247SC*.THydrogen-bonded Turntrans-52.3-11.9174.7-61.362.6000116.1K1292K1292-D1703 IonicContact NZ-OD2 2.84Å; K1292-D1703 PolarHBondContact NZ-OD2 3.44Å
1704S75Confident81.2Confident83 Ų8345.5 Ų45.558%0.5823%0.231SC*.THydrogen-bonded Turntrans-143.438.7180-64.30000112.7R1702 A1706 L1707R1702-S1704 PolarHBondContact O-N 3.29Å; S1704-A1706 VanDerWaalsContact C-N 3.27Å; S1704-A1706 PolarHBondContact O-N 3.24Å; S1704-A1706 VanDerWaalsContact O-N 3.13Å; S1704-L1707 PolarHBondContact O-N 2.9Å
1705F77.7Confident81.7Confident29 Ų2945 Ų4513%0.12723%0.229CC..THydrogen-bonded Turntrans-52.9-30.8-172.766-87.6000116.6K1667 F1668 Q1671 R1702K1667-F1705 HydrophobicContact CB-CD2 3.9Å; K1667-F1705 HydrophobicContact CB-CE2 4.3Å; F1668-F1705 HydrophobicContact CB-CE2 4.23Å; F1668-F1705 HydrophobicContact CB-CZ 4.45Å; F1668-F1705 HydrophobicContact CD2-CZ 4.08Å; Q1671-F1705 HydrophobicContact CG-CB 4.35Å; Q1671-F1705 HydrophobicContact CG-CD1 3.6Å; Q1671-F1705 HydrophobicContact CG-CD2 3.92Å; Q1671-F1705 HydrophobicContact CG-CE1 3.78Å; Q1671-F1705 HydrophobicContact CG-CE2 4.06Å; Q1671-F1705 HydrophobicContact CG-CG 3.68Å; Q1671-F1705 HydrophobicContact CG-CZ 4Å; R1702-F1705 HydrophobicContact CB-CB 4.48Å; R1702-F1705 WeakPolarHBondContact O-CD1 3.47Å; R1702-F1705 PolarHBondContact O-N 3.34Å; R1702-F1705 VanDerWaalsContact O-N 3.14Å
1706A78.2Confident82.3Confident2 Ų242.6 Ų42.62%0.01722%0.219CC..THydrogen-bonded Turntrans-115.4-0.7-172.700000115.6S1704 W1708 D1709 I1710S1704-A1706 VanDerWaalsContact C-N 3.27Å; S1704-A1706 PolarHBondContact O-N 3.24Å; S1704-A1706 VanDerWaalsContact O-N 3.13Å; A1706-W1708 VanDerWaalsContact C-N 3.31Å; A1706-W1708 PolarHBondContact O-N 3.4Å; A1706-W1708 VanDerWaalsContact O-N 3.17Å; A1706-D1709 WeakPolarHBondContact CA-OD2 3.4Å; A1706-D1709 WeakPolarHBondContact O-CB 3.5Å; A1706-D1709 PolarHBondContact O-N 3.13Å; A1706-I1710 HydrophobicContact CB-CD1 3.77Å; A1706-I1710 HydrophobicContact CB-CG1 4.3Å; A1706-I1710 VanDerWaalsContact O-CD1 3.31Å; A1706-I1710 WeakPolarHBondContact O-CD1 3.47Å; A1706-I1710 WeakPolarHBondContact O-CG1 3.26Å; A1706-I1710 PolarHBondContact O-N 3.43Å
1707L81.6Confident82.7Confident87 Ų8740.6 Ų40.646%0.45521%0.208SC..Hα-helixtrans-55.5-42.9-166.5-175.5150.3000113.2S1704 I1710 V1711S1704-L1707 PolarHBondContact O-N 2.9Å; L1707-I1710 PolarHBondContact O-N 2.93Å; L1707-V1711 HydrophobicContact CD2-CG2 4.36Å; L1707-V1711 WeakPolarHBondContact O-CG2 3.44Å; L1707-V1711 PolarHBondContact O-N 2.97Å
1708W87.3Confident82.9Confident85 Ų8540.1 Ų40.132%0.32221%0.206SC..Hα-helixtrans-72.7-36.2178.7-67.3102000112.9M1620 T1621 M1624 A1706 I1710 V1711 L1712M1620-W1708 HydrophobicContact CB-CE3 4.14Å; M1620-W1708 HydrophobicContact CB-CZ3 4.31Å; T1621-W1708 HydrophobicContact CG2-CB 4.47Å; M1624-W1708 HydrophobicContact CB-CG 4.18Å; M1624-W1708 HydrophobicContact CE-CZ2 4.24Å; M1624-W1708 HydrophobicContact CG-CD2 4.19Å; M1624-W1708 HydrophobicContact CG-CG 4.21Å; M1624-W1708 HydrophobicContact CG-CZ2 4.29Å; M1624-W1708 HydrophobicContact SD-CZ2 4.5Å; A1706-W1708 VanDerWaalsContact C-N 3.31Å; A1706-W1708 PolarHBondContact O-N 3.4Å; A1706-W1708 VanDerWaalsContact O-N 3.17Å; W1708-I1710 VanDerWaalsContact C-N 3.27Å; W1708-I1710 PolarHBondContact O-N 3.03Å; W1708-V1711 PolarHBondContact O-N 3.43Å; W1708-L1712 WeakPolarHBondContact O-CB 3.35Å; W1708-L1712 PolarHBondContact O-N 2.98Å
1709D87.1Confident83.5Confident1 Ų139.8 Ų39.81%0.00520%0.201CC..Hα-helixtrans-61.5-36.7172.8-49.2-99.5000111.4T1621 V1663 I1664 K1667 A1706 L1712 L1713T1621-D1709 WeakPolarHBondContact CG2-OD1 3.31Å; V1663-D1709 WeakPolarHBondContact CG1-OD1 3.38Å; I1664-D1709 HydrophobicContact CD1-CB 4.06Å; I1664-D1709 HydrophobicContact CG1-CB 3.67Å; K1667-D1709 IonicContact NZ-OD1 3.66Å; K1667-D1709 PolarHBondContact NZ-OD1 3.43Å; K1667-D1709 IonicContact NZ-OD2 2.91Å; K1667-D1709 PolarHBondContact NZ-OD2 3.32Å; A1706-D1709 WeakPolarHBondContact CA-OD2 3.4Å; A1706-D1709 WeakPolarHBondContact O-CB 3.5Å; A1706-D1709 PolarHBondContact O-N 3.13Å; D1709-L1712 PolarHBondContact O-N 3.39Å; D1709-L1713 VanDerWaalsContact O-CB 3.31Å; D1709-L1713 WeakPolarHBondContact O-CB 3.49Å; D1709-L1713 PolarHBondContact O-N 3.48Å
1710I87.1Confident83.9Confident17 Ų1739.6 Ų39.69%0.08720%0.198CC..Hα-helixtrans-72.1-40.5177.1-63.9151.3000111.6L1175 I1179 I1664 A1706 L1707 W1708 L1712 L1713 F1714L1175-I1710 HydrophobicContact CD2-CG2 4.06Å; I1179-I1710 HydrophobicContact CD1-CD1 3.32Å; I1179-I1710 HydrophobicContact CD1-CG1 4.11Å; I1179-I1710 HydrophobicContact CD1-CG2 4.37Å; I1179-I1710 HydrophobicContact CG1-CD1 3.78Å; I1179-I1710 HydrophobicContact CG2-CD1 4.01Å; I1664-I1710 HydrophobicContact CD1-CG1 4.2Å; A1706-I1710 HydrophobicContact CB-CD1 3.77Å; A1706-I1710 HydrophobicContact CB-CG1 4.3Å; A1706-I1710 VanDerWaalsContact O-CD1 3.31Å; A1706-I1710 WeakPolarHBondContact O-CD1 3.47Å; A1706-I1710 WeakPolarHBondContact O-CG1 3.26Å; A1706-I1710 PolarHBondContact O-N 3.43Å; L1707-I1710 PolarHBondContact O-N 2.93Å; W1708-I1710 VanDerWaalsContact C-N 3.27Å; W1708-I1710 PolarHBondContact O-N 3.03Å; I1710-L1712 VanDerWaalsContact C-N 3.33Å; I1710-L1713 WeakPolarHBondContact O-CB 3.35Å; I1710-L1713 PolarHBondContact O-N 3.36Å; I1710-F1714 HydrophobicContact CG2-CD2 3.8Å; I1710-F1714 HydrophobicContact CG2-CE2 3.42Å; I1710-F1714 VanDerWaalsContact CG2-CE2 3.42Å; I1710-F1714 HydrophobicContact CG2-CZ 4.11Å; I1710-F1714 WeakPolarHBondContact O-CD2 3.44Å; I1710-F1714 PolarHBondContact O-N 3.17Å
1711V87.6Confident84.3Confident51 Ų5139.5 Ų39.531%0.30919%0.194SC..Hα-helixtrans-62.5-42.2172.8170.50000110.6F1617 L1707 W1708 F1714 S1715F1617-V1711 HydrophobicContact CD1-CG1 3.69Å; F1617-V1711 HydrophobicContact CD2-CG1 4.38Å; F1617-V1711 HydrophobicContact CE1-CG1 3.63Å; F1617-V1711 HydrophobicContact CE2-CG1 4.32Å; F1617-V1711 HydrophobicContact CG-CG1 4.09Å; F1617-V1711 HydrophobicContact CZ-CG1 3.96Å; L1707-V1711 HydrophobicContact CD2-CG2 4.36Å; L1707-V1711 WeakPolarHBondContact O-CG2 3.44Å; L1707-V1711 PolarHBondContact O-N 2.97Å; W1708-V1711 PolarHBondContact O-N 3.43Å; V1711-F1714 PolarHBondContact O-N 2.88Å; V1711-S1715 WeakPolarHBondContact O-CB 3.31Å; V1711-S1715 PolarHBondContact O-N 3.02Å
1712L90.9Very high84.7Confident0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-63-44.2172.8176.358.8000111.6C1614 F1617 A1618 L1633 T1660 W1708 D1709 I1710 F1714 S1715 L1716C1614-L1712 WeakPolarHBondContact O-CD1 3.29Å; F1617-L1712 HydrophobicContact CB-CB 4.18Å; F1617-L1712 HydrophobicContact CB-CD1 3.91Å; A1618-L1712 HydrophobicContact CB-CD1 4.35Å; A1618-L1712 HydrophobicContact CB-CD2 4.33Å; L1633-L1712 HydrophobicContact CD1-CD2 3.94Å; L1633-L1712 HydrophobicContact CD2-CD2 4.38Å; T1660-L1712 HydrophobicContact CG2-CD2 3.59Å; T1660-L1712 HydrophobicContact CG2-CG 4.01Å; W1708-L1712 WeakPolarHBondContact O-CB 3.35Å; W1708-L1712 PolarHBondContact O-N 2.98Å; D1709-L1712 PolarHBondContact O-N 3.39Å; I1710-L1712 VanDerWaalsContact C-N 3.33Å; L1712-F1714 PolarHBondContact O-N 3.07Å; L1712-S1715 PolarHBondContact O-N 2.7Å; L1712-L1716 HydrophobicContact CD1-CD1 4.08Å; L1712-L1716 HydrophobicContact CD1-CG 4.11Å; L1712-L1716 HydrophobicContact CG-CD1 3.97Å; L1712-L1716 HydrophobicContact CG-CG 4.47Å; L1712-L1716 WeakPolarHBondContact O-CB 3.47Å; L1712-L1716 VanDerWaalsContact O-CG 3.26Å; L1712-L1716 WeakPolarHBondContact O-CG 3.39Å; L1712-L1716 PolarHBondContact O-N 3.31Å
1713L90.4Very high85Confident1 Ų134.3 Ų34.31%0.00518%0.175CC..Hα-helixtrans-57.1-48.5176-174.171.5000111.3L1194 L1197 E1661 I1664 D1709 I1710 L1716 F1717L1194-L1713 HydrophobicContact CD2-CD2 3.82Å; L1197-L1713 HydrophobicContact CD2-CD2 4.36Å; E1661-L1713 HydrophobicContact CG-CD1 3.65Å; I1664-L1713 HydrophobicContact CD1-CB 4.22Å; I1664-L1713 HydrophobicContact CD1-CD2 3.89Å; I1664-L1713 HydrophobicContact CD1-CG 4.49Å; D1709-L1713 VanDerWaalsContact O-CB 3.31Å; D1709-L1713 WeakPolarHBondContact O-CB 3.49Å; D1709-L1713 PolarHBondContact O-N 3.48Å; I1710-L1713 WeakPolarHBondContact O-CB 3.35Å; I1710-L1713 PolarHBondContact O-N 3.36Å; L1713-L1716 WeakPolarHBondContact O-CB 3.5Å; L1713-L1716 PolarHBondContact O-N 3.11Å; L1713-F1717 HydrophobicContact CD1-CD2 4.01Å; L1713-F1717 HydrophobicContact CD1-CE2 3.81Å; L1713-F1717 HydrophobicContact CG-CD2 4.05Å; L1713-F1717 HydrophobicContact CG-CE2 4.22Å; L1713-F1717 WeakPolarHBondContact O-CD2 3.32Å; L1713-F1717 PolarHBondContact O-N 3.45Å
1714F87.3Confident85.3Confident54 Ų5431.6 Ų31.624%0.23716%0.155CC..Hα-helixtrans-69.9-32.3177.6-65.5-39.6000113.2M1172 L1175 L1197 I1710 V1711 L1712 F1717 F1718M1172-F1714 HydrophobicContact CE-CD1 3.84Å; M1172-F1714 HydrophobicContact CE-CE1 3.24Å; M1172-F1714 HydrophobicContact CE-CE2 4.32Å; M1172-F1714 HydrophobicContact CE-CZ 3.5Å; M1172-F1714 HydrophobicContact SD-CD1 3.8Å; M1172-F1714 HydrophobicContact SD-CD2 3.88Å; M1172-F1714 HydrophobicContact SD-CE1 3.53Å; M1172-F1714 VanDerWaalsContact SD-CE1 3.53Å; M1172-F1714 HydrophobicContact SD-CE2 3.57Å; M1172-F1714 VanDerWaalsContact SD-CE2 3.57Å; M1172-F1714 HydrophobicContact SD-CG 3.98Å; M1172-F1714 HydrophobicContact SD-CZ 3.38Å; M1172-F1714 WeakPolarHBondContact SD-CZ 3.42Å; L1175-F1714 HydrophobicContact CD2-CE1 4.09Å; L1175-F1714 HydrophobicContact CD2-CE2 4.14Å; L1175-F1714 HydrophobicContact CD2-CZ 3.4Å; L1175-F1714 VanDerWaalsContact CD2-CZ 3.4Å; L1197-F1714 HydrophobicContact CD1-CE1 4.26Å; L1197-F1714 HydrophobicContact CD2-CD1 4.3Å; L1197-F1714 HydrophobicContact CD2-CE1 3.99Å; I1710-F1714 HydrophobicContact CG2-CD2 3.8Å; I1710-F1714 HydrophobicContact CG2-CE2 3.42Å; I1710-F1714 VanDerWaalsContact CG2-CE2 3.42Å; I1710-F1714 HydrophobicContact CG2-CZ 4.11Å; I1710-F1714 WeakPolarHBondContact O-CD2 3.44Å; I1710-F1714 PolarHBondContact O-N 3.17Å; V1711-F1714 PolarHBondContact O-N 2.88Å; L1712-F1714 PolarHBondContact O-N 3.07Å; F1714-F1717 PolarHBondContact O-N 3Å; F1714-F1718 VanDerWaalsContact O-CB 3.24Å; F1714-F1718 WeakPolarHBondContact O-CB 3.38Å; F1714-F1718 PolarHBondContact O-N 3.42Å
1715S88.7Confident85.5Confident12 Ų1230.6 Ų30.68%0.08414%0.14CC..Hα-helixtrans-63-43.6170.3-167.60000111.5C1614 F1617 V1711 L1712 F1718 H1719C1614-S1715 PolarHBondContact SG-OG 2.95Å; F1617-S1715 WeakPolarHBondContact CD2-OG 3.41Å; V1711-S1715 WeakPolarHBondContact O-CB 3.31Å; V1711-S1715 PolarHBondContact O-N 3.02Å; L1712-S1715 PolarHBondContact O-N 2.7Å; S1715-F1718 PolarHBondContact O-N 2.95Å; S1715-H1719 WeakPolarHBondContact O-CB 3.42Å; S1715-H1719 PolarHBondContact O-N 2.92Å
1716L90.7Very high85.4Confident1 Ų130.2 Ų30.21%0.00514%0.14CC..Hα-helixtrans-64.6-41.9175.6-72.9166.1000112.6C1614 W1653 M1656 I1657 T1660 L1712 L1713 H1719 R1720C1614-L1716 HydrophobicContact CB-CD2 4.3Å; W1653-L1716 HydrophobicContact CE3-CD2 3.74Å; W1653-L1716 HydrophobicContact CZ3-CD2 3.82Å; M1656-L1716 HydrophobicContact CB-CD2 4.36Å; M1656-L1716 HydrophobicContact CE-CD2 3.68Å; M1656-L1716 HydrophobicContact CG-CD1 4.21Å; M1656-L1716 HydrophobicContact CG-CD2 4.16Å; I1657-L1716 HydrophobicContact CD1-CB 4.38Å; I1657-L1716 HydrophobicContact CG1-CB 3.73Å; I1657-L1716 HydrophobicContact CG1-CD1 4.17Å; I1657-L1716 HydrophobicContact CG1-CD2 4.4Å; I1657-L1716 HydrophobicContact CG1-CG 4.34Å; T1660-L1716 HydrophobicContact CG2-CD1 4.04Å; L1712-L1716 HydrophobicContact CD1-CD1 4.08Å; L1712-L1716 HydrophobicContact CD1-CG 4.11Å; L1712-L1716 HydrophobicContact CG-CD1 3.97Å; L1712-L1716 HydrophobicContact CG-CG 4.47Å; L1712-L1716 WeakPolarHBondContact O-CB 3.47Å; L1712-L1716 VanDerWaalsContact O-CG 3.26Å; L1712-L1716 WeakPolarHBondContact O-CG 3.39Å; L1712-L1716 PolarHBondContact O-N 3.31Å; L1713-L1716 WeakPolarHBondContact O-CB 3.5Å; L1713-L1716 PolarHBondContact O-N 3.11Å; L1716-H1719 PolarHBondContact O-N 3.21Å; L1716-R1720 VanDerWaalsContact O-CB 3.25Å; L1716-R1720 WeakPolarHBondContact O-CB 3.44Å; L1716-R1720 PolarHBondContact O-N 3.25Å
1717F88.6Confident85.1Confident7 Ų730.2 Ų30.23%0.03114%0.14CC..Hα-helixtrans-68.6-34.9174.7-91.1-81000112.5L1197 W1198 I1657 E1661 L1713 F1714 R1720 Y1721L1197-F1717 HydrophobicContact CB-CE1 4.46Å; L1197-F1717 HydrophobicContact CB-CZ 4.43Å; L1197-F1717 HydrophobicContact CD2-CD1 4.34Å; L1197-F1717 HydrophobicContact CD2-CD2 3.53Å; L1197-F1717 HydrophobicContact CD2-CE1 4.38Å; L1197-F1717 HydrophobicContact CD2-CE2 3.59Å; L1197-F1717 HydrophobicContact CD2-CG 3.93Å; L1197-F1717 HydrophobicContact CD2-CZ 4.02Å; L1197-F1717 HydrophobicContact CG-CD1 3.94Å; L1197-F1717 HydrophobicContact CG-CD2 4.06Å; L1197-F1717 HydrophobicContact CG-CE1 3.99Å; L1197-F1717 HydrophobicContact CG-CE2 4.11Å; L1197-F1717 HydrophobicContact CG-CG 3.98Å; L1197-F1717 HydrophobicContact CG-CZ 4.06Å; L1197-F1717 WeakPolarHBondContact O-CE1 3.15Å; W1198-F1717 HydrophobicContact CE3-CZ 4.23Å; I1657-F1717 HydrophobicContact CG2-CE2 3.89Å; I1657-F1717 HydrophobicContact CG2-CZ 4.15Å; E1661-F1717 WeakPolarHBondContact OE1-CE2 3.5Å; E1661-F1717 WeakPolarHBondContact OE1-CZ 3.44Å; L1713-F1717 HydrophobicContact CD1-CD2 4.01Å; L1713-F1717 HydrophobicContact CD1-CE2 3.81Å; L1713-F1717 HydrophobicContact CG-CD2 4.05Å; L1713-F1717 HydrophobicContact CG-CE2 4.22Å; L1713-F1717 WeakPolarHBondContact O-CD2 3.32Å; L1713-F1717 PolarHBondContact O-N 3.45Å; F1714-F1717 PolarHBondContact O-N 3Å; F1717-R1720 PolarHBondContact O-N 3.12Å; F1717-Y1721 WeakPolarHBondContact O-CB 3.37Å; F1717-Y1721 PolarHBondContact O-N 2.86Å
1718F87.2Confident84.7Confident80 Ų8027.3 Ų27.335%0.35113%0.125SC..Hα-helixtrans-67-43.2172-177.8-112.5000111.8I1606 T1610 F1714 S1715 Y1721 M1722I1606-F1718 HydrophobicContact CG2-CE1 4.2Å; T1610-F1718 HydrophobicContact CG2-CD1 3.63Å; T1610-F1718 HydrophobicContact CG2-CE1 3.42Å; T1610-F1718 VanDerWaalsContact CG2-CE1 3.42Å; T1610-F1718 HydrophobicContact CG2-CZ 4.49Å; F1714-F1718 VanDerWaalsContact O-CB 3.24Å; F1714-F1718 WeakPolarHBondContact O-CB 3.38Å; F1714-F1718 PolarHBondContact O-N 3.42Å; S1715-F1718 PolarHBondContact O-N 2.95Å; F1718-Y1721 HydrophobicContact CD2-CD1 4.14Å; F1718-Y1721 HydrophobicContact CE2-CD1 4.29Å; F1718-Y1721 WeakPolarHBondContact O-CB 3.41Å; F1718-Y1721 PolarHBondContact O-N 3.29Å; F1718-M1722 HydrophobicContact CD1-CG 4.43Å; F1718-M1722 HydrophobicContact CD2-CG 4.49Å; F1718-M1722 HydrophobicContact CE1-CG 4.06Å; F1718-M1722 HydrophobicContact CE2-CG 4.11Å; F1718-M1722 HydrophobicContact CE2-SD 4.28Å; F1718-M1722 HydrophobicContact CZ-CG 3.88Å; F1718-M1722 HydrophobicContact CZ-SD 4.14Å; F1718-M1722 WeakPolarHBondContact O-CG 3.43Å; F1718-M1722 PolarHBondContact O-N 3.4Å
1719H89.4Confident84.2Confident9 Ų924.8 Ų24.84%0.04212%0.116CC..Hα-helixtrans-62.2-45173.1-175.966.2000111.5T1610 W1653 S1715 L1716 Y1721 M1722 L1723T1610-H1719 WeakPolarHBondContact CB-ND1 3.49Å; T1610-H1719 PolarHBondContact OG1-ND1 3.19Å; W1653-H1719 AromaticContact CD2-CD2 3.57Å; W1653-H1719 AromaticContact CD2-NE2 3.7Å; W1653-H1719 AromaticContact CE2-CD2 3.57Å; W1653-H1719 AromaticContact CE2-NE2 3.17Å; W1653-H1719 AromaticContact CE3-CD2 3.62Å; W1653-H1719 AromaticContact CH2-CD2 3.74Å; W1653-H1719 AromaticContact CH2-NE2 3.68Å; W1653-H1719 AromaticContact CZ2-CD2 3.68Å; W1653-H1719 AromaticContact CZ2-CE1 3.99Å; W1653-H1719 AromaticContact CZ2-NE2 3.18Å; W1653-H1719 WeakPolarHBondContact CZ2-NE2 3.43Å; W1653-H1719 AromaticContact CZ3-CD2 3.7Å; W1653-H1719 AromaticContact NE1-NE2 3.56Å; S1715-H1719 WeakPolarHBondContact O-CB 3.42Å; S1715-H1719 PolarHBondContact O-N 2.92Å; L1716-H1719 PolarHBondContact O-N 3.21Å; H1719-Y1721 VanDerWaalsContact C-N 3.31Å; H1719-Y1721 PolarHBondContact O-N 3.07Å; H1719-M1722 PolarHBondContact O-N 3.5Å; H1719-L1723 VanDerWaalsContact NE2-CD1 3.29Å; H1719-L1723 WeakPolarHBondContact NE2-CD1 3.29Å; H1719-L1723 WeakPolarHBondContact O-CB 3.3Å; H1719-L1723 WeakPolarHBondContact O-CG 3.34Å; H1719-L1723 PolarHBondContact O-N 2.78Å
1720R87.9Confident83.3Confident11 Ų1131.9 Ų31.94%0.04215%0.146CC..Hα-helixtrans-58-37.9171.5170175.6164.8158.6-4.1112.5W1198 I1657 L1716 F1717 R1724 W1729W1198-R1720 PolarHBondContact O-NH2 2.87Å; I1657-R1720 HydrophobicContact CD1-CB 4.34Å; L1716-R1720 VanDerWaalsContact O-CB 3.25Å; L1716-R1720 WeakPolarHBondContact O-CB 3.44Å; L1716-R1720 PolarHBondContact O-N 3.25Å; F1717-R1720 PolarHBondContact O-N 3.12Å; R1720-R1724 WeakPolarHBondContact O-CB 3.43Å; R1720-R1724 VanDerWaalsContact O-CG 3.25Å; R1720-R1724 WeakPolarHBondContact O-CG 3.4Å; R1720-R1724 PolarHBondContact O-N 3.41Å; R1720-R1724 VanDerWaalsContact O-N 3.12Å; R1720-W1729 HydrophobicContact CB-CE3 4.41Å; R1720-W1729 HydrophobicContact CB-CH2 4.37Å; R1720-W1729 HydrophobicContact CB-CZ3 3.97Å; R1720-W1729 HydrophobicContact CG-CE3 4.28Å; R1720-W1729 HydrophobicContact CG-CH2 4.05Å; R1720-W1729 HydrophobicContact CG-CZ2 4.38Å; R1720-W1729 HydrophobicContact CG-CZ3 3.99Å
1721Y84.8Confident81.8Confident21 Ų2136 Ų368%0.08217%0.168CC..Hα-helixtrans-68-48.2173.4165.9-128000111.6N1201 F1717 F1718 H1719 R1724 K1725N1201-Y1721 WeakPolarHBondContact ND2-CE2 3.41Å; F1717-Y1721 WeakPolarHBondContact O-CB 3.37Å; F1717-Y1721 PolarHBondContact O-N 2.86Å; F1718-Y1721 HydrophobicContact CD2-CD1 4.14Å; F1718-Y1721 HydrophobicContact CE2-CD1 4.29Å; F1718-Y1721 WeakPolarHBondContact O-CB 3.41Å; F1718-Y1721 PolarHBondContact O-N 3.29Å; H1719-Y1721 VanDerWaalsContact C-N 3.31Å; H1719-Y1721 PolarHBondContact O-N 3.07Å; Y1721-R1724 PolarHBondContact O-N 3.48Å; Y1721-R1724 VanDerWaalsContact O-N 3.13Å; Y1721-K1725 HydrophobicContact CE2-CB 4.33Å; Y1721-K1725 HydrophobicContact CE2-CD 4.08Å; Y1721-K1725 WeakPolarHBondContact O-CB 3.12Å; Y1721-K1725 PolarHBondContact O-N 2.92Å; Y1721-K1725 PolarHBondContact OH-NZ 2.99Å
1722M83.7Confident80.2Confident17 Ų1735.4 Ų35.48%0.08417%0.169CC..Hα-helixtrans-63.1-44.1178.2-69.9-59.3-64.800112.2H1528 T1610 F1718 H1719 R1724 K1725 L1726H1528-M1722 WeakPolarHBondContact NE2-CE 3.43Å; T1610-M1722 HydrophobicContact CG2-CG 4.14Å; F1718-M1722 HydrophobicContact CD1-CG 4.43Å; F1718-M1722 HydrophobicContact CD2-CG 4.49Å; F1718-M1722 HydrophobicContact CE1-CG 4.06Å; F1718-M1722 HydrophobicContact CE2-CG 4.11Å; F1718-M1722 HydrophobicContact CE2-SD 4.28Å; F1718-M1722 HydrophobicContact CZ-CG 3.88Å; F1718-M1722 HydrophobicContact CZ-SD 4.14Å; F1718-M1722 WeakPolarHBondContact O-CG 3.43Å; F1718-M1722 PolarHBondContact O-N 3.4Å; H1719-M1722 PolarHBondContact O-N 3.5Å; M1722-R1724 VanDerWaalsContact C-N 3.28Å; M1722-R1724 PolarHBondContact O-N 2.78Å; M1722-K1725 PolarHBondContact O-N 3.2Å; M1722-K1725 HydrophobicContact SD-CD 4.46Å; M1722-L1726 WeakPolarHBondContact O-CB 3.33Å; M1722-L1726 WeakPolarHBondContact O-CG 3.18Å; M1722-L1726 PolarHBondContact O-N 2.91Å
1723L81.3Confident78.4Confident25 Ų2542.5 Ų42.513%0.13121%0.207CC..Hα-helixtrans-60.3-34.7172.5-72.8-175.8000112.5H1719 G1727 L1728 W1729H1719-L1723 VanDerWaalsContact NE2-CD1 3.29Å; H1719-L1723 WeakPolarHBondContact NE2-CD1 3.29Å; H1719-L1723 WeakPolarHBondContact O-CB 3.3Å; H1719-L1723 WeakPolarHBondContact O-CG 3.34Å; H1719-L1723 PolarHBondContact O-N 2.78Å; L1723-G1727 CarbonylContact O-C 3.4Å; L1723-G1727 PolarHBondContact O-N 2.79Å; L1723-L1728 HydrophobicContact CB-CB 4.4Å; L1723-L1728 HydrophobicContact CD2-CB 3.65Å; L1723-L1728 HydrophobicContact CD2-CD1 3.92Å; L1723-L1728 HydrophobicContact CD2-CG 4.45Å; L1723-L1728 WeakPolarHBondContact O-CA 3.42Å; L1723-L1728 PolarHBondContact O-N 3.32Å; L1723-W1729 HydrophobicContact CB-CB 4.14Å; L1723-W1729 HydrophobicContact CB-CE3 4.04Å; L1723-W1729 HydrophobicContact CD1-CE3 3.74Å; L1723-W1729 HydrophobicContact CD1-CZ3 4.13Å; L1723-W1729 PolarHBondContact O-N 3.48Å
1724R79.7Confident76.5Confident71 Ų7148.9 Ų48.927%0.26824%0.24SC..Hα-helixtrans-72.9-44.5174-76.7177.6-177.2-163.66.2111.8R1720 Y1721 M1722 L1726 G1727 W1729R1720-R1724 WeakPolarHBondContact O-CB 3.43Å; R1720-R1724 VanDerWaalsContact O-CG 3.25Å; R1720-R1724 WeakPolarHBondContact O-CG 3.4Å; R1720-R1724 PolarHBondContact O-N 3.41Å; R1720-R1724 VanDerWaalsContact O-N 3.12Å; Y1721-R1724 PolarHBondContact O-N 3.48Å; Y1721-R1724 VanDerWaalsContact O-N 3.13Å; M1722-R1724 VanDerWaalsContact C-N 3.28Å; M1722-R1724 PolarHBondContact O-N 2.78Å; R1724-L1726 VanDerWaalsContact C-N 3.32Å; R1724-L1726 PolarHBondContact O-N 3.17Å; R1724-G1727 PolarHBondContact O-N 3.43Å; R1724-W1729 HydrophobicContact CG-CB 3.73Å; R1724-W1729 HydrophobicContact CG-CD2 4.41Å; R1724-W1729 HydrophobicContact CG-CG 3.77Å
1725K78.1Confident74.8Confident61 Ų6151.9 Ų51.927%0.26526%0.263SS..Hα-helixtrans-61.8-36179.8-178.1166.7-168.9160.80113.4E1328 Y1721 M1722E1328-K1725 VanDerWaalsContact OE1-CE 3.28Å; E1328-K1725 WeakPolarHBondContact OE1-CE 3.32Å; E1328-K1725 WeakPolarHBondContact OE1-CG 3.46Å; E1328-K1725 IonicContact OE1-NZ 3.77Å; Y1721-K1725 HydrophobicContact CE2-CB 4.33Å; Y1721-K1725 HydrophobicContact CE2-CD 4.08Å; Y1721-K1725 WeakPolarHBondContact O-CB 3.12Å; Y1721-K1725 PolarHBondContact O-N 2.92Å; Y1721-K1725 PolarHBondContact OH-NZ 2.99Å; M1722-K1725 PolarHBondContact O-N 3.2Å; M1722-K1725 HydrophobicContact SD-CD 4.46Å
1726L76.3Confident73.1Confident21 Ų2155.8 Ų55.811%0.1128%0.283CS..THydrogen-bonded Turntrans-87.2-4174.5-61.3169.7000113G1335 A1336 V1531 L1535 M1722 R1724 L1728G1335-L1726 CarbonylContact C-O 3.54Å; G1335-L1726 WeakPolarHBondContact CA-O 3.32Å; G1335-L1726 PolarHBondContact N-O 3.23Å; A1336-L1726 PolarHBondContact N-O 3.46Å; V1531-L1726 HydrophobicContact CG1-CD2 4.05Å; L1535-L1726 HydrophobicContact CD1-CD2 4.27Å; M1722-L1726 WeakPolarHBondContact O-CB 3.33Å; M1722-L1726 WeakPolarHBondContact O-CG 3.18Å; M1722-L1726 PolarHBondContact O-N 2.91Å; R1724-L1726 VanDerWaalsContact C-N 3.32Å; R1724-L1726 PolarHBondContact O-N 3.17Å; L1726-L1728 VanDerWaalsContact C-N 3.32Å; L1726-L1728 HydrophobicContact CB-CD1 3.81Å; L1726-L1728 HydrophobicContact CB-CG 4.05Å; L1726-L1728 HydrophobicContact CD1-CD1 4Å; L1726-L1728 PolarHBondContact O-N 2.91Å
1727G70.7Confident71.5Confident3 Ų356.8 Ų56.83%0.03129%0.289CS..THydrogen-bonded Turntrans70.821.3-178.900000115.4A1332 L1723 R1724A1332-G1727 VanDerWaalsContact C-CA 3.43Å; A1332-G1727 WeakPolarHBondContact O-CA 3.24Å; L1723-G1727 CarbonylContact O-C 3.4Å; L1723-G1727 PolarHBondContact O-N 2.79Å; R1724-G1727 PolarHBondContact O-N 3.43Å
1728L74.4Confident70.2Confident26 Ų2659.3 Ų59.314%0.13630%0.3CS..  trans-88.3-17.4179.8-64.7165000113.5A1336 R1647 L1723 L1726 K1730A1336-L1728 HydrophobicContact CB-CD2 3.86Å; R1647-L1728 VanDerWaalsContact CZ-O 3.32Å; R1647-L1728 PolarHBondContact NH1-O 3.27Å; R1647-L1728 PolarHBondContact NH2-O 3.1Å; R1647-L1728 VanDerWaalsContact NH2-O 3.12Å; L1723-L1728 HydrophobicContact CB-CB 4.4Å; L1723-L1728 HydrophobicContact CD2-CB 3.65Å; L1723-L1728 HydrophobicContact CD2-CD1 3.92Å; L1723-L1728 HydrophobicContact CD2-CG 4.45Å; L1723-L1728 WeakPolarHBondContact O-CA 3.42Å; L1723-L1728 PolarHBondContact O-N 3.32Å; L1726-L1728 VanDerWaalsContact C-N 3.32Å; L1726-L1728 HydrophobicContact CB-CD1 3.81Å; L1726-L1728 HydrophobicContact CB-CG 4.05Å; L1726-L1728 HydrophobicContact CD1-CD1 4Å; L1726-L1728 PolarHBondContact O-N 2.91Å; L1728-K1730 VanDerWaalsContact C-N 3.25Å; L1728-K1730 PolarHBondContact O-N 2.83Å
1729W76.7Confident68.5Low32 Ų3261 Ų6112%0.12132%0.317CS..SBendtrans-68.8-13.6-173.8-176.1-96.2000115.5K1650 W1653 V1654 R1720 L1723 R1724K1650-W1729 HydrophobicContact CG-CZ2 4.32Å; W1653-W1729 HydrophobicContact CB-CH2 4.18Å; W1653-W1729 HydrophobicContact CB-CZ3 3.99Å; V1654-W1729 HydrophobicContact CG2-CH2 3.93Å; V1654-W1729 HydrophobicContact CG2-CZ2 3.75Å; R1720-W1729 HydrophobicContact CB-CE3 4.41Å; R1720-W1729 HydrophobicContact CB-CH2 4.37Å; R1720-W1729 HydrophobicContact CB-CZ3 3.97Å; R1720-W1729 HydrophobicContact CG-CE3 4.28Å; R1720-W1729 HydrophobicContact CG-CH2 4.05Å; R1720-W1729 HydrophobicContact CG-CZ2 4.38Å; R1720-W1729 HydrophobicContact CG-CZ3 3.99Å; L1723-W1729 HydrophobicContact CB-CB 4.14Å; L1723-W1729 HydrophobicContact CB-CE3 4.04Å; L1723-W1729 HydrophobicContact CD1-CE3 3.74Å; L1723-W1729 HydrophobicContact CD1-CZ3 4.13Å; L1723-W1729 PolarHBondContact O-N 3.48Å; R1724-W1729 HydrophobicContact CG-CB 3.73Å; R1724-W1729 HydrophobicContact CG-CD2 4.41Å; R1724-W1729 HydrophobicContact CG-CG 3.77Å
1730K67.1Low66.3Low149 Ų14968.3 Ų68.365%0.64836%0.356SS*.SBendtrans-112.2152.3167-73.6-172.6175.8-1740109R1647 L1728 A1732R1647-K1730 PolarHBondContact NH2-O 3.46Å; L1728-K1730 VanDerWaalsContact C-N 3.25Å; L1728-K1730 PolarHBondContact O-N 2.83Å; K1730-A1732 PolarHBondContact O-N 3.5Å
1731D56.3Low63.7Low104 Ų10475.8 Ų75.856%0.55639%0.389SS*.PPolyproline II helixtrans-78.4122.1174.4-57.4-57.9000109.3R1647R1647-D1731 IonicContact CZ-OD1 3.81Å; R1647-D1731 IonicContact NE-OD1 3.31Å; R1647-D1731 IonicContact NH2-OD1 2.68Å; R1647-D1731 PolarHBondContact NH2-OD1 2.9Å
1732A53.4Low61.2Low38 Ų3884.2 Ų84.231%0.31443%0.429SS..PPolyproline II helixtrans-76.7124168.300000106.8K1730K1730-A1732 PolarHBondContact O-N 3.5Å
1733N52.9Low58.6Low149 Ų14988.1 Ų88.180%0.79745%0.447SS*.PPolyproline II helixtrans-64.7146.3-177.3-1517000110T1735N1733-T1735 VanDerWaalsContact C-N 3.26Å; N1733-T1735 PolarHBondContact O-N 3.19Å
1734L51.2Low56.1Low136 Ų13693 Ų9371%0.71248%0.48SS*.  trans-77.857.3-159.4-78.1150.9000114.8
1735T52.8Low53.8Low117 Ų117100.1 Ų100.172%0.71851%0.507SS*.  trans-84.7138.4165.355.70000110.3N1733N1733-T1735 VanDerWaalsContact C-N 3.26Å; N1733-T1735 PolarHBondContact O-N 3.19Å
1736D51Low51.8Low94 Ų94102.5 Ų102.550%0.50353%0.531SS..  trans-62.3150-176.4-60.3-53.2000112.9T1739 K1820D1736-T1739 HydrophobicContact CB-CG2 4.41Å; D1736-T1739 WeakPolarHBondContact O-CG2 3.22Å; D1736-K1820 IonicContact OD1-NZ 3.13Å; D1736-K1820 PolarHBondContact OD1-NZ 2.89Å
1737T58.8Low49.6Very low21 Ų21106.6 Ų106.613%0.12957%0.568CS.*THydrogen-bonded Turntrans-88.2-8.4-160.2-0.10000115.4V1337 N1340 Q1341 E1344V1337-T1737 HydrophobicContact CG1-CG2 4.18Å; N1340-T1737 HydrophobicContact CB-CG2 3.72Å; Q1341-T1737 HydrophobicContact CG-CG2 3.57Å; Q1341-T1737 PolarHBondContact NE2-O 3.48Å; E1344-T1737 WeakPolarHBondContact OE2-CB 3.16Å; E1344-T1737 PolarHBondContact OE2-OG1 2.87Å
1738F60.1Low47.9Very low60 Ų60112.4 Ų112.426%0.26361%0.608SS.*THydrogen-bonded Turntrans-133.462.3176.9-63.8-79000110.8Q1341 E1344 L1740Q1341-F1738 HydrophobicContact CB-CE1 4.27Å; Q1341-F1738 HydrophobicContact CB-CE2 4.01Å; Q1341-F1738 HydrophobicContact CB-CZ 3.61Å; Q1341-F1738 HydrophobicContact CG-CE1 4.02Å; Q1341-F1738 HydrophobicContact CG-CE2 4.03Å; Q1341-F1738 HydrophobicContact CG-CZ 3.74Å; E1344-F1738 HydrophobicContact CB-CE2 4.28Å; F1738-L1740 VanDerWaalsContact C-N 3.31Å; F1738-L1740 PolarHBondContact O-N 3.45Å
1739T51.6Low46Very low115 Ų115114 Ų11471%0.70663%0.631SS**  trans-77.173.4-179.652.50000113.4D1736D1736-T1739 HydrophobicContact CB-CG2 4.41Å; D1736-T1739 WeakPolarHBondContact O-CG2 3.22Å
1740L42.6Very low43.8Very low164 Ų164117.3 Ų117.386%0.85966%0.659SS**  trans-143.5119.1153-100.7172000108F1738 E1742F1738-L1740 VanDerWaalsContact C-N 3.31Å; F1738-L1740 PolarHBondContact O-N 3.45Å; L1740-E1742 PolarHBondContact O-N 2.73Å
1741K33.3Very low42.3Very low168 Ų168116.9 Ų116.973%0.7366%0.664SS**  trans-65122.8178.6-68.5165.3127.6-167.30110.1E1743K1741-E1743 VanDerWaalsContact C-N 3.28Å; K1741-E1743 HydrophobicContact CB-CG 3.73Å; K1741-E1743 HydrophobicContact CD-CG 3.91Å; K1741-E1743 WeakPolarHBondContact CD-OE1 3.3Å; K1741-E1743 WeakPolarHBondContact CE-OE1 3.29Å; K1741-E1743 HydrophobicContact CG-CG 4.38Å; K1741-E1743 IonicContact NZ-OE1 2.68Å; K1741-E1743 PolarHBondContact NZ-OE1 2.91Å; K1741-E1743 PolarHBondContact O-N 2.87Å
1742E32.9Very low41.3Very low198 Ų198118.9 Ų118.993%0.92568%0.68SS**  trans-7888.1145.6-70.4-168144.700107.4L1740L1740-E1742 PolarHBondContact O-N 2.73Å
1743E29.3Very low40.2Very low98 Ų98120.1 Ų120.146%0.45870%0.697SS.*  trans-67.2139.5167-61.6-171.5143.600108.9K1741 R1745K1741-E1743 VanDerWaalsContact C-N 3.28Å; K1741-E1743 HydrophobicContact CB-CG 3.73Å; K1741-E1743 HydrophobicContact CD-CG 3.91Å; K1741-E1743 WeakPolarHBondContact CD-OE1 3.3Å; K1741-E1743 WeakPolarHBondContact CE-OE1 3.29Å; K1741-E1743 HydrophobicContact CG-CG 4.38Å; K1741-E1743 IonicContact NZ-OE1 2.68Å; K1741-E1743 PolarHBondContact NZ-OE1 2.91Å; K1741-E1743 PolarHBondContact O-N 2.87Å; E1743-R1745 VanDerWaalsContact C-N 3.33Å; E1743-R1745 PolarHBondContact O-N 3.44Å
1744P29.6Very low39Very low129 Ų129118.9 Ų118.984%0.83870%0.7SS**  trans-71.485.1-172.629.3-35.9000111.2S1746P1744-S1746 PolarHBondContact O-N 3.16Å
1745R30.3Very low38Very low220 Ų220118 Ų11883%0.8370%0.702SS**  trans-79.386.7179-73.2-171.8175.8-173.3-1.9111.3E1743E1743-R1745 VanDerWaalsContact C-N 3.33Å; E1743-R1745 PolarHBondContact O-N 3.44Å
1746S36.3Very low37Very low111 Ų111122.5 Ų122.578%0.77671%0.712SS**  trans-46.6144.4155.650.20000111.6P1744 S1748P1744-S1746 PolarHBondContact O-N 3.16Å; S1746-S1748 PolarHBondContact O-N 2.86Å
1747A30.6Very low35.8Very low106 Ų106127.5 Ų127.588%0.87673%0.729SS**SBendtrans-76.7120.4-176.900000112.9
1748S34.2Very low34.5Very low125 Ų125134.5 Ų134.587%0.87476%0.764SS**  trans-176.2150.5149.5-169.30000111.8S1746S1746-S1748 PolarHBondContact O-N 2.86Å
1749G34.3Very low32.9Very low60 Ų60135.4 Ų135.462%0.61978%0.783SS**  trans80.583.5140.600000120.2
1750S31.7Very low31.7Very low102 Ų102139.1 Ų139.171%0.71379%0.792SS**  25.513112857.90000122.4
1751D36.2Very low30.9Very low139 Ų139139.7 Ų139.774%0.74379%0.79SS**  83.4106.7129.9-63.5-7.6000123.8
1752T34.4Very low30.7Very low146 Ų146136.9 Ų136.990%0.89679%0.789SS**  trans70.4164.9140.870.80000118.7
1753G30Very low30.4Very low65 Ų65135.9 Ų135.967%0.6778%0.782SS**  trans160.7-23.9165.500000120.9
1754S28.8Very low30.2Very low123 Ų123137.7 Ų137.786%0.8680%0.799SS**  trans67.4164.6-179.184.90000117.1
1755P30.3Very low30Very low117 Ų117136.7 Ų136.776%0.7679%0.791SS**  trans-113.7153.7-162.239.7-30.5000115.8
1756K29.8Very low29.8Very low211 Ų211132.3 Ų132.392%0.91779%0.788SS**  trans-121.1126.2160.7-85-175174.9176.90111.5
1757K27.7Very low29.5Very low200 Ų200133 Ų13387%0.8779%0.787SS**  trans-85.7128.1170.3-70.4179.9176179.90110.4
1758I29.8Very low29.2Very low167 Ų167136.7 Ų136.786%0.85679%0.787SS**  trans-134.4103.5148.8-56178.8000103.5
1759A26.7Very low29Very low80 Ų80136.1 Ų136.166%0.66178%0.783SS**  cis81.264.733.100000114.4
1760Q26Very low28.6Very low193 Ų193140.6 Ų140.690%0.90279%0.792SS**  trans-153.6122.1145.4-110.5164.518.700110.6
1761E27.4Very low28.5Very low175 Ų175142 Ų14282%0.81880%0.797SS**  trans-72.8164.5153.6-51179.9158.300108.3
1762P28.4Very low28.3Very low109 Ų109141.7 Ų141.771%0.70880%0.795SS**  -150.9144.19336-17.8000117.5
1763K26.1Very low28.1Very low177 Ų177143.6 Ų143.677%0.7779%0.793SS**  trans56.3112.2132.6-61172-176.5171.70119.7V1765K1763-V1765 HydrophobicContact CB-CG2 4.36Å; K1763-V1765 PolarHBondContact O-N 3.47Å
1764V24.8Very low28.1Very low137 Ų137143.6 Ų143.683%0.8379%0.794SS**  trans-51.2129.8139.3175.60000110V1766V1764-V1766 HydrophobicContact CG1-CG2 4.49Å
1765V26.5Very low28.1Very low108 Ų108144.2 Ų144.266%0.65579%0.792SS**  trans-129.5132.2159.7179.70000108.7K1763 T1767K1763-V1765 HydrophobicContact CB-CG2 4.36Å; K1763-V1765 PolarHBondContact O-N 3.47Å; V1765-T1767 HydrophobicContact CG1-CG2 4.35Å
1766V26.2Very low28Very low127 Ų127144.3 Ų144.377%0.7780%0.796SS**  trans-110.2119.3167.8174.70000106.9V1764V1764-V1766 HydrophobicContact CG1-CG2 4.49Å
1767T28.8Very low27.9Very low125 Ų125138.3 Ų138.377%0.76779%0.794SS**  trans-134.1135.1172.520.20000110.3V1765V1765-T1767 HydrophobicContact CG1-CG2 4.35Å
1768Q25.6Very low27.9Very low184 Ų184132.3 Ų132.386%0.8679%0.789SS**  trans-108.3132.8171.3-59.8165.1-108.100107.6
1769S29.5Very low27.8Very low113 Ų113132.7 Ų132.779%0.7979%0.787SS**  trans-177.8132.6150.743.80000109.7
1770D26.2Very low27.8Very low154 Ų154136.1 Ų136.182%0.82479%0.793SS**  trans-74.3145.8165.4-46.9-89.7000110
1771T30.1Very low28Very low131 Ų131131.8 Ų131.880%0.80478%0.779SS**  -179.4138128.621.10000113.2
1772L31.3Very low28.2Very low134 Ų134130.9 Ų130.970%0.70278%0.778SS**  trans29.2121.2144.3-66157.2000121.2
1773E29.1Very low28.4Very low185 Ų185130.1 Ų130.186%0.86477%0.774SS**  50.9134.7125.8-60.6177172.300121.9
1774G30.4Very low28.6Very low66 Ų66126.2 Ų126.268%0.6877%0.768SS**  trans117.988.814700000118.3
1775T28.7Very low29Very low136 Ų136127 Ų12783%0.83477%0.768SS**  trans47.3134.1139.40.40000123.2
1776S28.6Very low29.3Very low118 Ų118126.4 Ų126.483%0.82577%0.766SS**  trans82.6137.3146.979.10000121.2
1777G28.3Very low29.4Very low86 Ų86127.9 Ų127.989%0.88777%0.77SS**  trans81139.1153.200000117.8
1778G28.2Very low29.6Very low74 Ų74126.1 Ų126.176%0.76377%0.768SS**  trans142.620.4165.500000118.8
1779E26.2Very low29.8Very low174 Ų174124 Ų12481%0.81377%0.767SS**  trans-67.7135.2170.6-178.2174.4-171.500111V1781E1779-V1781 HydrophobicContact CG-CG2 4.12Å; E1779-V1781 WeakPolarHBondContact OE1-CG2 3.46Å
1780I28.4Very low29.9Very low152 Ų152122.9 Ų122.978%0.77976%0.76SS**  trans-127.896.5173-57.6-179.1000108.9
1781V30.1Very low30.2Very low103 Ų103121.8 Ų121.862%0.62475%0.753SS**  trans-89.7140.8167171.30000109.3E1779 P1783E1779-V1781 HydrophobicContact CG-CG2 4.12Å; E1779-V1781 WeakPolarHBondContact OE1-CG2 3.46Å; V1781-P1783 HydrophobicContact CG1-CB 4.35Å
1782I30.5Very low30.2Very low156 Ų156122.9 Ų122.980%0.875%0.751SS**  trans-128.6136.5163.7-63.4-178.8000106.9
1783P32.5Very low30.3Very low93 Ų93125 Ų12560%0.60476%0.758SS**  trans-127.6176.6-139.338.4-21.8000116.7V1781V1781-P1783 HydrophobicContact CG1-CB 4.35Å
1784S30.6Very low30.3Very low94 Ų94125.3 Ų125.366%0.65776%0.759SS**  trans62.1109.114264.30000120.9
1785D33.9Very low30.5Very low155 Ų155130.4 Ų130.483%0.82977%0.77SS**  61.8171.3115.6-85.2-31.2000122.2
1786P32.1Very low30.6Very low94 Ų94131.3 Ų131.361%0.6177%0.77SS**  cis-130.8166.2-29.632.1-16.2000113.4
1787N29.1Very low30.6Very low158 Ų158132 Ų13285%0.84577%0.773SS**  trans158.2149.2133.9-85.6-50.6000113.8
1788A32Very low30.9Very low88 Ų88136.1 Ų136.173%0.72777%0.769SS**  trans61.3109.5169.500000117.4
1789V30.8Very low31.6Very low139 Ų139137.8 Ų137.884%0.84277%0.766SS**  cis71.8125.642.3-171.10000110.5
1790S30.4Very low32.2Very low91 Ų91135.5 Ų135.564%0.63677%0.767SS**  cis-162.5164.92630.90000115.6
1791N33Very low32.7Very low130 Ų130134.8 Ų134.870%0.69576%0.763SS**  trans91.6116.7145.3-69.2-10.4000122.9
1792M29.5Very low33.3Very low154 Ų154135.3 Ų135.376%0.75977%0.769SS**  trans66.7136.8144.1-60.8179.6-70.900118.5
1793E34.3Very low34.1Very low180 Ų180133.3 Ų133.384%0.84176%0.756SS**  cis-146.2165.66.3-127.2164.1-160.700110.9
1794E28.3Very low34.9Very low190 Ų190138.1 Ų138.189%0.88877%0.767SS**  trans-102.1149.4-158.4-59.8168.2134.300115.5
1795L34.2Very low35.5Very low173 Ų173143.3 Ų143.391%0.90678%0.781SS**  trans-158.4139.7145.2-14777.4000111.5
1796D31Very low36.6Very low155 Ų155139 Ų13983%0.82976%0.763SS**  trans-72.5137.7-167.1-57.3-77.9000116.1
1797C29.3Very low38.6Very low132 Ų132136.6 Ų136.689%0.89276%0.756SS**  trans-149.2136.7149.7-93.10000109.4
1798E34.1Very low40.8Very low173 Ų173134.7 Ų134.781%0.80875%0.752SS**  trans-63.5151.6-171.7-67.318010800113.9
1799P42.8Very low42.9Very low109 Ų109136.7 Ų136.771%0.70875%0.749SS**  trans-59.8142.5167.227.7-35.2000110.4I1801P1799-I1801 PolarHBondContact O-N 3.09Å
1800P40.5Very low45.2Very low127 Ų127131.5 Ų131.583%0.82572%0.724SS**  trans-63.3112.9-176.925.2-33.7000110.7
1801I37.3Very low47.4Very low136 Ų136133.6 Ų133.670%0.69772%0.718SS**  trans-48.6128172.9-59.3168.5000108.1P1799 E1803P1799-I1801 PolarHBondContact O-N 3.09Å; I1801-E1803 PolarHBondContact O-N 2.81Å
1802P44.2Very low49.5Very low114 Ų114129.9 Ų129.974%0.7470%0.696SS**  trans-55.2130.2-174.321-33.4000110.7K1804P1802-K1804 PolarHBondContact O-N 2.94Å
1803E47.1Very low51.9Low114 Ų114125.7 Ų125.753%0.53368%0.675SS.*  trans-49.596.9-172.9-84.3-158.8139.200110.7I1801 Q1805 R1811 H1814I1801-E1803 PolarHBondContact O-N 2.81Å; E1803-Q1805 PolarHBondContact O-N 3.33Å; E1803-Q1805 VanDerWaalsContact O-N 3.16Å; E1803-R1811 IonicContact OE2-CZ 2.72Å; E1803-R1811 IonicContact OE2-NE 3.12Å; E1803-R1811 IonicContact OE2-NH2 3.94Å; E1803-R1811 PolarHBondContact OE2-NH2 3.04Å; E1803-R1811 VanDerWaalsContact OE2-NH2 3.12Å; E1803-H1814 IonicContact OE1-CE1 3.71Å; E1803-H1814 IonicContact OE1-ND1 3.85Å; E1803-H1814 PolarHBondContact OE1-ND1 2.65Å; E1803-H1814 VanDerWaalsContact OE1-ND1 3.17Å
1804K47.9Very low54.1Low195 Ų195121.5 Ų121.585%0.84866%0.656SS**  trans-56.9122.1176-168.8174.8-171.3173.50107.3P1802 S1806P1802-K1804 PolarHBondContact O-N 2.94Å; K1804-S1806 VanDerWaalsContact C-N 3.32Å; K1804-S1806 PolarHBondContact O-N 3.23Å
1805Q44.7Very low56.4Low202 Ų202117.8 Ų117.894%0.94464%0.638SS**  trans-51.689.2-167.7-72.1-176.1-1100112.6E1803E1803-Q1805 PolarHBondContact O-N 3.33Å; E1803-Q1805 VanDerWaalsContact O-N 3.16Å
1806S57.1Low58.6Low65 Ų65110.1 Ų110.146%0.45560%0.598SS.*  trans-82.1142.2177.272.70000108.7K1804 R1811K1804-S1806 VanDerWaalsContact C-N 3.32Å; K1804-S1806 PolarHBondContact O-N 3.23Å; S1806-R1811 PolarHBondContact OG-N 2.7Å
1807G72.9Confident60.7Low44 Ų44105.8 Ų105.845%0.45457%0.572SS.*  trans-57.9164.8174.500000111.4I1809 G1810 R1811G1807-I1809 PolarHBondContact O-N 3.23Å; G1807-G1810 WeakPolarHBondContact O-CA 3.16Å; G1807-G1810 PolarHBondContact O-N 2.93Å; G1807-R1811 PolarHBondContact O-N 3.05Å; G1807-R1811 VanDerWaalsContact O-N 3.1Å
1808P75.8Confident62.7Low118 Ų118106 Ų10677%0.76656%0.56SS**Hα-helixtrans-54.1-29.3-176.220.5-33000113.5F1812P1808-F1812 WeakPolarHBondContact O-CB 3.23Å; P1808-F1812 PolarHBondContact O-N 3.36Å
1809I75.8Confident64.5Low130 Ų13099.1 Ų99.167%0.66753%0.53SS*.Hα-helixtrans-66.6-45.1173.3-58.2171.9000111.8G1807 F1812 I1813G1807-I1809 PolarHBondContact O-N 3.23Å; I1809-F1812 PolarHBondContact O-N 3.39Å; I1809-I1813 HydrophobicContact CG2-CD1 3.91Å; I1809-I1813 VanDerWaalsContact O-CG1 3.31Å; I1809-I1813 WeakPolarHBondContact O-CG1 3.12Å; I1809-I1813 PolarHBondContact O-N 2.71Å
1810G78.2Confident65.4Low30 Ų30100 Ų10031%0.30952%0.523SS..Hα-helixtrans-63.5-42.7177.100000111.8G1807 F1812 I1813 H1814G1807-G1810 WeakPolarHBondContact O-CA 3.16Å; G1807-G1810 PolarHBondContact O-N 2.93Å; G1810-F1812 PolarHBondContact O-N 3.47Å; G1810-I1813 PolarHBondContact O-N 2.74Å; G1810-H1814 PolarHBondContact O-N 3.09Å
1811R76.6Confident66.5Low134 Ų13496 Ų9651%0.50649%0.493SS..Hα-helixtrans-64.3-39.1175-160.5173.3-139.3-1799.2112.6E1803 S1806 G1807 H1814 Q1815E1803-R1811 IonicContact OE2-CZ 2.72Å; E1803-R1811 IonicContact OE2-NE 3.12Å; E1803-R1811 IonicContact OE2-NH2 3.94Å; E1803-R1811 PolarHBondContact OE2-NH2 3.04Å; E1803-R1811 VanDerWaalsContact OE2-NH2 3.12Å; S1806-R1811 PolarHBondContact OG-N 2.7Å; G1807-R1811 PolarHBondContact O-N 3.05Å; G1807-R1811 VanDerWaalsContact O-N 3.1Å; R1811-H1814 PolarHBondContact O-N 3.1Å; R1811-Q1815 WeakPolarHBondContact O-CB 3.28Å; R1811-Q1815 VanDerWaalsContact O-CG 3.27Å; R1811-Q1815 WeakPolarHBondContact O-CG 3.39Å; R1811-Q1815 PolarHBondContact O-N 2.89Å
1812F78Confident68Low53 Ų5394.5 Ų94.523%0.23248%0.478CS..Hα-helixtrans-63.6-42.6173.8177.4-104.3000112.2L1643 P1808 I1809 G1810 Q1815 L1816L1643-F1812 HydrophobicContact CB-CE1 4.44Å; L1643-F1812 HydrophobicContact CB-CZ 3.98Å; P1808-F1812 WeakPolarHBondContact O-CB 3.23Å; P1808-F1812 PolarHBondContact O-N 3.36Å; I1809-F1812 PolarHBondContact O-N 3.39Å; G1810-F1812 PolarHBondContact O-N 3.47Å; F1812-Q1815 PolarHBondContact O-N 3.4Å; F1812-L1816 WeakPolarHBondContact O-CB 3.43Å; F1812-L1816 PolarHBondContact O-N 2.98Å
1813I80.3Confident69Low66 Ų6692.4 Ų92.434%0.33846%0.456SS..Hα-helixtrans-66.3-39.6176.3-68.6168.1000111.2I1809 G1810 L1816 F1817I1809-I1813 HydrophobicContact CG2-CD1 3.91Å; I1809-I1813 VanDerWaalsContact O-CG1 3.31Å; I1809-I1813 WeakPolarHBondContact O-CG1 3.12Å; I1809-I1813 PolarHBondContact O-N 2.71Å; G1810-I1813 PolarHBondContact O-N 2.74Å; I1813-L1816 WeakPolarHBondContact O-CB 3.09Å; I1813-L1816 PolarHBondContact O-N 2.88Å; I1813-F1817 HydrophobicContact CG2-CD2 3.78Å; I1813-F1817 HydrophobicContact CG2-CE2 3.41Å; I1813-F1817 VanDerWaalsContact CG2-CE2 3.41Å; I1813-F1817 HydrophobicContact CG2-CZ 4.27Å; I1813-F1817 WeakPolarHBondContact O-CD2 3.5Å; I1813-F1817 PolarHBondContact O-N 3.35Å; I1813-F1817 VanDerWaalsContact O-N 3.11Å
1814H80.7Confident70Confident92 Ų9287.6 Ų87.643%0.42643%0.434SS..Hα-helixtrans-61.4-46.1174.2-169.6-140.8000111.3E1803 G1810 R1811 L1816 F1817 H1818E1803-H1814 IonicContact OE1-CE1 3.71Å; E1803-H1814 IonicContact OE1-ND1 3.85Å; E1803-H1814 PolarHBondContact OE1-ND1 2.65Å; E1803-H1814 VanDerWaalsContact OE1-ND1 3.17Å; G1810-H1814 PolarHBondContact O-N 3.09Å; R1811-H1814 PolarHBondContact O-N 3.1Å; H1814-L1816 VanDerWaalsContact C-N 3.3Å; H1814-L1816 PolarHBondContact O-N 3.26Å; H1814-F1817 PolarHBondContact O-N 3.45Å; H1814-H1818 AromaticContact CD2-CD2 3.65Å; H1814-H1818 AromaticContact NE2-CD2 3.85Å; H1814-H1818 PolarHBondContact O-N 3.25Å
1815Q77Confident71.1Confident112 Ų11282.1 Ų82.152%0.52341%0.408SS..Hα-helixtrans-66.6-26.8175.8-71.9173.1-8.900113.9R1811 F1812R1811-Q1815 WeakPolarHBondContact O-CB 3.28Å; R1811-Q1815 VanDerWaalsContact O-CG 3.27Å; R1811-Q1815 WeakPolarHBondContact O-CG 3.39Å; R1811-Q1815 PolarHBondContact O-N 2.89Å; F1812-Q1815 PolarHBondContact O-N 3.4Å
1816L78.4Confident72.4Confident11 Ų1174.6 Ų74.66%0.05837%0.374CS..Hα-helixtrans-71.9-41.9174.7176.461.4000111.9L1643 F1812 I1813 H1814 L1897 I1947L1643-L1816 HydrophobicContact CD2-CD1 4.4Å; L1643-L1816 HydrophobicContact CD2-CD2 4.48Å; L1643-L1816 WeakPolarHBondContact O-CD1 3.17Å; F1812-L1816 WeakPolarHBondContact O-CB 3.43Å; F1812-L1816 PolarHBondContact O-N 2.98Å; I1813-L1816 WeakPolarHBondContact O-CB 3.09Å; I1813-L1816 PolarHBondContact O-N 2.88Å; H1814-L1816 VanDerWaalsContact C-N 3.3Å; H1814-L1816 PolarHBondContact O-N 3.26Å; L1816-L1897 HydrophobicContact CD2-CD2 4.23Å; L1816-I1947 HydrophobicContact CD1-CG2 4.28Å; L1816-I1947 HydrophobicContact CD2-CG2 4.28Å; L1816-I1947 HydrophobicContact CG-CG2 4.49Å
1817F76.8Confident73.6Confident64 Ų6471.6 Ų71.628%0.28135%0.353SS..Hα-helixtrans-82.1-30.5179.1-63.5-43.2000113.4I1813 H1814 P1819 V1893 V1894 L1897I1813-F1817 HydrophobicContact CG2-CD2 3.78Å; I1813-F1817 HydrophobicContact CG2-CE2 3.41Å; I1813-F1817 VanDerWaalsContact CG2-CE2 3.41Å; I1813-F1817 HydrophobicContact CG2-CZ 4.27Å; I1813-F1817 WeakPolarHBondContact O-CD2 3.5Å; I1813-F1817 PolarHBondContact O-N 3.35Å; I1813-F1817 VanDerWaalsContact O-N 3.11Å; H1814-F1817 PolarHBondContact O-N 3.45Å; F1817-P1819 VanDerWaalsContact C-CD 3.46Å; F1817-P1819 WeakPolarHBondContact O-CD 3.29Å; F1817-V1893 HydrophobicContact CD1-CG1 4.45Å; F1817-V1893 HydrophobicContact CE1-CG1 4.23Å; F1817-V1894 HydrophobicContact CE1-CG2 4.27Å; F1817-V1894 HydrophobicContact CZ-CG2 4.01Å; F1817-L1897 HydrophobicContact CE1-CD2 4.25Å; F1817-L1897 HydrophobicContact CZ-CD2 3.82Å
1818H71.1Confident74.1Confident137 Ų13770 Ų7063%0.63433%0.333SS*.SBendtrans-125.966.6-179-55.7-78000112.6H1814H1814-H1818 AromaticContact CD2-CD2 3.65Å; H1814-H1818 AromaticContact NE2-CD2 3.85Å; H1814-H1818 PolarHBondContact O-N 3.25Å
1819P71.5Confident74.2Confident29 Ų2966.5 Ų66.519%0.18831%0.31CS..  trans-75.9145179.131.9-36.3000112.7N1645 F1817 F1821 R1822N1645-P1819 HydrophobicContact CB-CB 4.42Å; N1645-P1819 WeakPolarHBondContact ND2-CB 3.41Å; F1817-P1819 VanDerWaalsContact C-CD 3.46Å; F1817-P1819 WeakPolarHBondContact O-CD 3.29Å; P1819-F1821 PolarHBondContact O-N 2.98Å; P1819-R1822 HydrophobicContact CG-CB 4.37Å
1820K60.9Low74.6Confident127 Ų12764.1 Ų64.155%0.55230%0.298SS*.SBendtrans-58.6-28.7175.3-172.8177.2178.3-176.20112.5D1736D1736-K1820 IonicContact OD1-NZ 3.13Å; D1736-K1820 PolarHBondContact OD1-NZ 2.89Å
1821F65.2Low75.1Confident44 Ų4462.7 Ų62.719%0.19328%0.283CS..SBendtrans-125.4124173.4-54.4-81.7000110.2I1343 E1344 M1347 N1645 P1819I1343-F1821 HydrophobicContact CG2-CB 4.46Å; E1344-F1821 HydrophobicContact CB-CE1 4.47Å; E1344-F1821 HydrophobicContact CG-CE1 4.34Å; M1347-F1821 VanDerWaalsContact SD-CA 3.58Å; M1347-F1821 HydrophobicContact SD-CB 3.92Å; M1347-F1821 HydrophobicContact SD-CD1 3.76Å; M1347-F1821 HydrophobicContact SD-CG 4.31Å; N1645-F1821 PolarHBondContact ND2-O 2.9Å; P1819-F1821 PolarHBondContact O-N 2.98Å
1822R67.4Low75.6Confident103 Ų10359.2 Ų59.239%0.38927%0.272SS..  trans-116.6113.1177.3-165.4-175.3-163.5171.315.5109.7P1819 I1824 N1949P1819-R1822 HydrophobicContact CG-CB 4.37Å; R1822-I1824 HydrophobicContact CG-CG1 4.13Å; R1822-N1949 WeakPolarHBondContact CG-O 3.4Å; R1822-N1949 PolarHBondContact NE-O 3.19Å
1823Y66.6Low75.9Confident70 Ų7058.1 Ų58.128%0.27528%0.276SS..  trans-94.2120.7172.2-174.3-79.1000108.1Q1350 R1825 N1949Q1350-Y1823 VanDerWaalsContact NE2-CZ 3.33Å; Y1823-R1825 HydrophobicContact CD1-CB 4.27Å; Y1823-R1825 HydrophobicContact CE1-CB 4.03Å; Y1823-N1949 VanDerWaalsContact O-CA 3.31Å; Y1823-N1949 WeakPolarHBondContact O-CA 3.45Å; Y1823-N1949 WeakPolarHBondContact O-CB 3.29Å
1824I67.8Low76.4Confident14 Ų1456.1 Ų56.17%0.07227%0.265CS..  trans-102.9126.5-171.8-60.1169.6000109.7Q1354 R1822 P1952Q1354-I1824 VanDerWaalsContact NE2-CG2 3.35Å; Q1354-I1824 VanDerWaalsContact OE1-CD1 3.27Å; R1822-I1824 HydrophobicContact CG-CG1 4.13Å; I1824-P1952 HydrophobicContact CG2-CB 4.12Å
1825R69.5Low76.8Confident79 Ų7951.8 Ų51.830%0.29825%0.245SC..  trans-155.1138.9-178.7-177.8171.6179.1159.4-0.7110Y1823 L1827 Q1946Y1823-R1825 HydrophobicContact CD1-CB 4.27Å; Y1823-R1825 HydrophobicContact CE1-CB 4.03Å; R1825-L1827 HydrophobicContact CG-CD2 4.07Å; R1825-L1827 HydrophobicContact CG-CG 4.3Å; R1825-Q1946 PolarHBondContact O-NE2 2.83Å; R1825-Q1946 PolarHBondContact O-OE1 2.95Å; R1825-Q1946 VanDerWaalsContact O-OE1 3.12Å
1826D73.7Confident77.2Confident45 Ų4548.7 Ų48.724%0.24123%0.234CC..  trans-88.8134.8164.9179.937.6000110.8Y1828 P1829 P1952D1826-Y1828 VanDerWaalsContact OD1-CB 3.26Å; D1826-Y1828 WeakPolarHBondContact OD1-CB 3.22Å; D1826-Y1828 PolarHBondContact OD1-N 2.91Å; D1826-P1829 WeakPolarHBondContact OD2-CD 3.43Å; D1826-P1952 HydrophobicContact CB-CG 4.34Å
1827L81.1Confident77.7Confident1 Ų152.1 Ų52.11%0.00525%0.251CS..  trans-126.9-0.1175.9-56.8166.3000111.3R1825 I1830 M1831 V1942 W1945 Q1946R1825-L1827 HydrophobicContact CG-CD2 4.07Å; R1825-L1827 HydrophobicContact CG-CG 4.3Å; L1827-I1830 HydrophobicContact CD2-CD1 4.05Å; L1827-I1830 WeakPolarHBondContact O-CA 3.36Å; L1827-I1830 WeakPolarHBondContact O-CB 3.39Å; L1827-I1830 PolarHBondContact O-N 3.24Å; L1827-M1831 PolarHBondContact O-N 3.19Å; L1827-V1942 HydrophobicContact CB-CG1 3.73Å; L1827-V1942 HydrophobicContact CD1-CG1 4.16Å; L1827-V1942 HydrophobicContact CG-CG1 4.43Å; L1827-W1945 HydrophobicContact CD1-CB 3.9Å; L1827-W1945 HydrophobicContact CD1-CD2 3.56Å; L1827-W1945 HydrophobicContact CD1-CE3 3.62Å; L1827-W1945 HydrophobicContact CD1-CG 3.69Å; L1827-W1945 HydrophobicContact CD1-CZ3 4.35Å; L1827-W1945 HydrophobicContact CD2-CE3 4.11Å; L1827-W1945 HydrophobicContact CD2-CH2 4.39Å; L1827-W1945 HydrophobicContact CD2-CZ3 4.01Å; L1827-Q1946 HydrophobicContact CD1-CB 4.3Å; L1827-Q1946 VanDerWaalsContact CG-OE1 3.29Å
1828Y84.6Confident78.3Confident12 Ų1249.1 Ų49.15%0.04724%0.238CC..Hα-helixtrans-55.3-41.1-176.2180-89.2000113.8D1826 I1830 M1831 F1832 D1884 R1885 Y1888D1826-Y1828 VanDerWaalsContact OD1-CB 3.26Å; D1826-Y1828 WeakPolarHBondContact OD1-CB 3.22Å; D1826-Y1828 PolarHBondContact OD1-N 2.91Å; Y1828-I1830 PolarHBondContact O-N 2.98Å; Y1828-M1831 WeakPolarHBondContact O-CB 3.26Å; Y1828-M1831 PolarHBondContact O-N 3.04Å; Y1828-M1831 VanDerWaalsContact O-N 3.11Å; Y1828-F1832 HydrophobicContact CE1-CB 4.11Å; Y1828-F1832 PolarHBondContact O-N 3.11Å; Y1828-D1884 HydrophobicContact CE2-CB 4.47Å; Y1828-R1885 WeakPolarHBondContact OH-CA 3.36Å; Y1828-R1885 WeakPolarHBondContact OH-CB 3.44Å; Y1828-R1885 WeakPolarHBondContact OH-CD 3.4Å; Y1828-Y1888 VanDerWaalsContact CB-CD2 3.41Å; Y1828-Y1888 VanDerWaalsContact CB-CE2 3.43Å; Y1828-Y1888 HydrophobicContact CD1-CD1 4.18Å; Y1828-Y1888 HydrophobicContact CD1-CD2 4.22Å; Y1828-Y1888 HydrophobicContact CD1-CE1 4.34Å; Y1828-Y1888 HydrophobicContact CD1-CE2 4.35Å; Y1828-Y1888 HydrophobicContact CD1-CG 4.12Å; Y1828-Y1888 HydrophobicContact CD2-CD1 4.38Å; Y1828-Y1888 AromaticContact CD2-CD2 3.63Å; Y1828-Y1888 HydrophobicContact CD2-CD2 3.63Å; Y1828-Y1888 HydrophobicContact CD2-CE2 4.44Å; Y1828-Y1888 AromaticContact CD2-CG 3.59Å; Y1828-Y1888 HydrophobicContact CD2-CG 3.59Å; Y1828-Y1888 HydrophobicContact CE1-CD1 4.49Å; Y1828-Y1888 HydrophobicContact CE2-CG 4.06Å; Y1828-Y1888 HydrophobicContact CG-CD1 4.16Å; Y1828-Y1888 AromaticContact CG-CD2 3.45Å; Y1828-Y1888 HydrophobicContact CG-CD2 3.45Å; Y1828-Y1888 VanDerWaalsContact CG-CD2 3.45Å; Y1828-Y1888 HydrophobicContact CG-CE1 4.49Å; Y1828-Y1888 AromaticContact CG-CE2 3.81Å; Y1828-Y1888 HydrophobicContact CG-CE2 3.81Å; Y1828-Y1888 AromaticContact CG-CG 3.64Å; Y1828-Y1888 HydrophobicContact CG-CG 3.64Å
1829P77.5Confident79Confident43 Ų4345.7 Ų45.728%0.27922%0.222SC..Hα-helixtrans-59.1-33174.4-26.635.5000113.7D1826 G1833 L1959D1826-P1829 WeakPolarHBondContact OD2-CD 3.43Å; P1829-G1833 PolarHBondContact O-N 3.15Å; P1829-L1959 HydrophobicContact CB-CB 4.02Å; P1829-L1959 HydrophobicContact CB-CD2 3.59Å; P1829-L1959 HydrophobicContact CB-CG 4.42Å; P1829-L1959 HydrophobicContact CG-CB 4.08Å; P1829-L1959 HydrophobicContact CG-CD2 4.24Å
1830I83.6Confident79.7Confident80 Ų8048 Ų4841%0.4123%0.232SC..Hα-helixtrans-72.2-43.2176-56.6175.6000109.5L1827 Y1828 G1833 I1834 V1942L1827-I1830 HydrophobicContact CD2-CD1 4.05Å; L1827-I1830 WeakPolarHBondContact O-CA 3.36Å; L1827-I1830 WeakPolarHBondContact O-CB 3.39Å; L1827-I1830 PolarHBondContact O-N 3.24Å; Y1828-I1830 PolarHBondContact O-N 2.98Å; I1830-G1833 PolarHBondContact O-N 3.02Å; I1830-I1834 HydrophobicContact CG2-CD1 3.97Å; I1830-I1834 VanDerWaalsContact O-CG1 3.28Å; I1830-I1834 WeakPolarHBondContact O-CG1 3.48Å; I1830-I1834 PolarHBondContact O-N 3.16Å; I1830-V1942 HydrophobicContact CB-CG1 4.42Å; I1830-V1942 HydrophobicContact CG2-CG1 4.26Å; I1830-V1942 HydrophobicContact CG2-CG2 4.36Å
1831M88.5Confident80.9Confident0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-60.7-47.8177.2-63.8178.75800111.9L1827 Y1828 G1833 I1834 D1835 Y1939 V1942 Q1946L1827-M1831 PolarHBondContact O-N 3.19Å; Y1828-M1831 WeakPolarHBondContact O-CB 3.26Å; Y1828-M1831 PolarHBondContact O-N 3.04Å; Y1828-M1831 VanDerWaalsContact O-N 3.11Å; M1831-G1833 PolarHBondContact O-N 3.05Å; M1831-I1834 PolarHBondContact O-N 3.43Å; M1831-D1835 PolarHBondContact O-N 2.97Å; M1831-Y1939 HydrophobicContact CB-CD2 4.14Å; M1831-Y1939 HydrophobicContact CB-CE2 3.93Å; M1831-Y1939 HydrophobicContact CE-CD2 4.46Å; M1831-Y1939 HydrophobicContact CE-CE1 4.49Å; M1831-Y1939 HydrophobicContact CE-CE2 3.76Å; M1831-V1942 HydrophobicContact CG-CB 4.16Å; M1831-V1942 HydrophobicContact CG-CG1 3.5Å; M1831-V1942 HydrophobicContact SD-CG1 4.32Å; M1831-Q1946 HydrophobicContact SD-CB 4.09Å; M1831-Q1946 HydrophobicContact SD-CG 4.41Å
1832F86.8Confident81.8Confident61 Ų6142.1 Ų42.127%0.26821%0.208SC..Hα-helixtrans-61-42.6174.6178.3-102.9000112Y1828 I1834 D1835 V1836 I1881Y1828-F1832 HydrophobicContact CE1-CB 4.11Å; Y1828-F1832 PolarHBondContact O-N 3.11Å; F1832-I1834 VanDerWaalsContact C-N 3.34Å; F1832-I1834 PolarHBondContact O-N 3.36Å; F1832-D1835 PolarHBondContact O-N 3.47Å; F1832-V1836 HydrophobicContact CD1-CG2 4.21Å; F1832-V1836 HydrophobicContact CE1-CG2 3.75Å; F1832-V1836 HydrophobicContact CE2-CG2 4.08Å; F1832-V1836 HydrophobicContact CZ-CG2 3.68Å; F1832-V1836 WeakPolarHBondContact O-CG2 3.44Å; F1832-V1836 PolarHBondContact O-N 3.13Å; F1832-I1881 HydrophobicContact CD2-CG2 4.15Å; F1832-I1881 HydrophobicContact CE2-CG2 3.93Å
1833G84.1Confident82.3Confident30 Ų3040 Ų4031%0.30921%0.207SC..Hα-helixtrans-59.3-41.3175.300000113.3P1829 I1830 M1831 V1836 I1837P1829-G1833 PolarHBondContact O-N 3.15Å; I1830-G1833 PolarHBondContact O-N 3.02Å; M1831-G1833 PolarHBondContact O-N 3.05Å; G1833-V1836 PolarHBondContact O-N 2.98Å; G1833-I1837 VanDerWaalsContact O-CG1 3.32Å; G1833-I1837 WeakPolarHBondContact O-CG1 3.32Å; G1833-I1837 PolarHBondContact O-N 3.22Å; G1833-I1837 VanDerWaalsContact O-N 3.07Å
1834I91.1Very high83Confident24 Ų2444.3 Ų44.312%0.12323%0.227CC..Hα-helixtrans-66.8-37.3176.1-64.7164.9000111.3I1830 M1831 F1832 I1837 C1838 I1935 V1942I1830-I1834 HydrophobicContact CG2-CD1 3.97Å; I1830-I1834 VanDerWaalsContact O-CG1 3.28Å; I1830-I1834 WeakPolarHBondContact O-CG1 3.48Å; I1830-I1834 PolarHBondContact O-N 3.16Å; M1831-I1834 PolarHBondContact O-N 3.43Å; F1832-I1834 VanDerWaalsContact C-N 3.34Å; F1832-I1834 PolarHBondContact O-N 3.36Å; I1834-I1837 WeakPolarHBondContact O-CB 3.14Å; I1834-I1837 PolarHBondContact O-N 3.14Å; I1834-C1838 PolarHBondContact O-N 3.02Å; I1834-C1838 PolarHBondContact O-SG 2.91Å; I1834-I1935 HydrophobicContact CG2-CG2 3.63Å; I1834-I1935 VanDerWaalsContact CG2-O 3.26Å; I1834-I1935 WeakPolarHBondContact CG2-O 3.09Å; I1834-V1942 HydrophobicContact CD1-CG2 3.97Å
1835D89.8Confident83.3Confident1 Ų144.1 Ų44.11%0.00523%0.228CC..Hα-helixtrans-74.4-32.2178-89.15.5000113.5M1831 F1832 I1837 C1838 F1839 M1877 I1881 K1936 Y1939M1831-D1835 PolarHBondContact O-N 2.97Å; F1832-D1835 PolarHBondContact O-N 3.47Å; D1835-I1837 VanDerWaalsContact C-N 3.32Å; D1835-C1838 WeakPolarHBondContact O-CB 3.5Å; D1835-C1838 PolarHBondContact O-N 2.88Å; D1835-F1839 PolarHBondContact O-N 3.07Å; D1835-M1877 HydrophobicContact CB-CE 4.33Å; D1835-I1881 HydrophobicContact CB-CD1 4.14Å; D1835-I1881 HydrophobicContact CB-CG1 3.93Å; D1835-K1936 WeakPolarHBondContact OD1-CD 3.44Å; D1835-K1936 IonicContact OD1-NZ 2.71Å; D1835-K1936 PolarHBondContact OD1-NZ 3.08Å; D1835-K1936 IonicContact OD2-NZ 3.69Å; D1835-K1936 PolarHBondContact OD2-NZ 2.9Å; D1835-Y1939 VanDerWaalsContact OD1-CD2 3.28Å; D1835-Y1939 WeakPolarHBondContact OD1-CD2 3.33Å; D1835-Y1939 WeakPolarHBondContact OD2-CE2 3.48Å
1836V85.2Confident83.5Confident47 Ų4741.8 Ų41.829%0.28522%0.22SC..Hα-helixtrans-63.5-38.8167.4171.70000110.8F1832 G1833 F1839 L1840F1832-V1836 HydrophobicContact CD1-CG2 4.21Å; F1832-V1836 HydrophobicContact CE1-CG2 3.75Å; F1832-V1836 HydrophobicContact CE2-CG2 4.08Å; F1832-V1836 HydrophobicContact CZ-CG2 3.68Å; F1832-V1836 WeakPolarHBondContact O-CG2 3.44Å; F1832-V1836 PolarHBondContact O-N 3.13Å; G1833-V1836 PolarHBondContact O-N 2.98Å; V1836-F1839 WeakPolarHBondContact O-CB 3.48Å; V1836-F1839 PolarHBondContact O-N 3.09Å; V1836-L1840 HydrophobicContact CG1-CD1 4.37Å; V1836-L1840 WeakPolarHBondContact O-CG 3.41Å; V1836-L1840 PolarHBondContact O-N 3.46Å
1837I88.4Confident83.5Confident83 Ų8341.3 Ų41.343%0.42622%0.22SC..Hα-helixtrans-63.5-45172.4-67164.2000110.4G1833 I1834 D1835 F1839 L1840 I1841 I1935G1833-I1837 VanDerWaalsContact O-CG1 3.32Å; G1833-I1837 WeakPolarHBondContact O-CG1 3.32Å; G1833-I1837 PolarHBondContact O-N 3.22Å; G1833-I1837 VanDerWaalsContact O-N 3.07Å; I1834-I1837 WeakPolarHBondContact O-CB 3.14Å; I1834-I1837 PolarHBondContact O-N 3.14Å; D1835-I1837 VanDerWaalsContact C-N 3.32Å; I1837-F1839 VanDerWaalsContact C-N 3.3Å; I1837-F1839 PolarHBondContact O-N 3.44Å; I1837-L1840 PolarHBondContact O-N 3.17Å; I1837-I1841 HydrophobicContact CG2-CG1 4.13Å; I1837-I1841 WeakPolarHBondContact O-CG1 3.03Å; I1837-I1841 PolarHBondContact O-N 3.46Å; I1837-I1935 HydrophobicContact CG2-CD1 4.09Å; I1837-I1935 HydrophobicContact CG2-CG2 4.08Å
1838C89.4Confident83.3Confident1 Ų142 Ų421%0.00723%0.226CC..Hα-helixtrans-56.6-42.5174.2-640000112.3I1834 D1835 I1841 M1842 M1877I1834-C1838 PolarHBondContact O-N 3.02Å; I1834-C1838 PolarHBondContact O-SG 2.91Å; D1835-C1838 WeakPolarHBondContact O-CB 3.5Å; D1835-C1838 PolarHBondContact O-N 2.88Å; C1838-I1841 PolarHBondContact O-N 2.78Å; C1838-M1842 WeakPolarHBondContact O-CG 3.25Å; C1838-M1842 PolarHBondContact O-N 3.02Å; C1838-M1842 VanDerWaalsContact O-N 3.1Å; C1838-M1877 HydrophobicContact CB-CE 3.6Å
1839F87.3Confident82.9Confident65 Ų6541.4 Ų41.429%0.28522%0.224SC..Hα-helixtrans-61.5-44.2176.9-175.5-88.9000112.4D1835 V1836 I1837 M1842 T1843 L1874 T1878D1835-F1839 PolarHBondContact O-N 3.07Å; V1836-F1839 WeakPolarHBondContact O-CB 3.48Å; V1836-F1839 PolarHBondContact O-N 3.09Å; I1837-F1839 VanDerWaalsContact C-N 3.3Å; I1837-F1839 PolarHBondContact O-N 3.44Å; F1839-M1842 HydrophobicContact CD2-CE 4.49Å; F1839-M1842 PolarHBondContact O-N 3.48Å; F1839-T1843 WeakPolarHBondContact O-CB 3.31Å; F1839-T1843 PolarHBondContact O-N 2.83Å; F1839-T1843 PolarHBondContact O-OG1 3.23Å; F1839-L1874 HydrophobicContact CE2-CD1 4.32Å; F1839-L1874 HydrophobicContact CE2-CD2 3.78Å; F1839-L1874 HydrophobicContact CE2-CG 3.76Å; F1839-L1874 HydrophobicContact CZ-CD1 4.39Å; F1839-L1874 HydrophobicContact CZ-CD2 4.25Å; F1839-L1874 HydrophobicContact CZ-CG 4.29Å; F1839-T1878 HydrophobicContact CD2-CG2 4.26Å; F1839-T1878 HydrophobicContact CE2-CG2 3.73Å
1840L85.7Confident82.4Confident78 Ų7840 Ų4041%0.40822%0.216SC..Hα-helixtrans-65.4-41.1175.1-68.4172000112.1V1836 I1837 M1842 T1843 F1844V1836-L1840 HydrophobicContact CG1-CD1 4.37Å; V1836-L1840 WeakPolarHBondContact O-CG 3.41Å; V1836-L1840 PolarHBondContact O-N 3.46Å; I1837-L1840 PolarHBondContact O-N 3.17Å; L1840-M1842 VanDerWaalsContact C-N 3.35Å; L1840-M1842 PolarHBondContact O-N 2.91Å; L1840-T1843 PolarHBondContact O-N 3.45Å; L1840-F1844 HydrophobicContact CB-CD2 4.28Å; L1840-F1844 HydrophobicContact CB-CE2 4.14Å; L1840-F1844 HydrophobicContact CD2-CE2 4.05Å; L1840-F1844 WeakPolarHBondContact O-CD2 3.3Å; L1840-F1844 PolarHBondContact O-N 2.69Å
1841I86.5Confident81.5Confident45 Ų4543.5 Ų43.523%0.23123%0.231CC..Hα-helixtrans-58.2-45.6177.3-63.5-97.5000110.7I1837 C1838 G1845 V1928 A1931 L1932 I1935I1837-I1841 HydrophobicContact CG2-CG1 4.13Å; I1837-I1841 WeakPolarHBondContact O-CG1 3.03Å; I1837-I1841 PolarHBondContact O-N 3.46Å; C1838-I1841 PolarHBondContact O-N 2.78Å; I1841-G1845 WeakPolarHBondContact O-CA 3.22Å; I1841-G1845 PolarHBondContact O-N 3.12Å; I1841-V1928 HydrophobicContact CG2-CG1 4.16Å; I1841-A1931 HydrophobicContact CD1-CB 4.33Å; I1841-A1931 HydrophobicContact CG2-CB 4.49Å; I1841-L1932 HydrophobicContact CG2-CB 4.37Å; I1841-I1935 HydrophobicContact CD1-CD1 3.7Å; I1841-I1935 HydrophobicContact CG1-CD1 4.18Å
1842M82.3Confident80Confident2 Ų245.5 Ų45.51%0.0125%0.252CS..Hα-helixtrans-65.4-43.5176.1-66.8-176.9-59.800112.2C1838 F1839 L1840 G1845 Y1846 F1849 L1870 M1873 M1877 L1932C1838-M1842 WeakPolarHBondContact O-CG 3.25Å; C1838-M1842 PolarHBondContact O-N 3.02Å; C1838-M1842 VanDerWaalsContact O-N 3.1Å; F1839-M1842 HydrophobicContact CD2-CE 4.49Å; F1839-M1842 PolarHBondContact O-N 3.48Å; L1840-M1842 VanDerWaalsContact C-N 3.35Å; L1840-M1842 PolarHBondContact O-N 2.91Å; M1842-G1845 CarbonylContact O-C 3.56Å; M1842-G1845 PolarHBondContact O-N 3.19Å; M1842-Y1846 PolarHBondContact O-N 3.26Å; M1842-F1849 HydrophobicContact CG-CZ 4.4Å; M1842-L1870 HydrophobicContact CB-CD1 4.21Å; M1842-L1870 WeakPolarHBondContact O-CD1 3.36Å; M1842-M1873 HydrophobicContact SD-CB 3.91Å; M1842-M1873 HydrophobicContact SD-CE 4.07Å; M1842-M1877 HydrophobicContact CE-CB 3.67Å; M1842-M1877 HydrophobicContact CE-CG 3.61Å; M1842-M1877 HydrophobicContact SD-CG 4.08Å; M1842-L1932 HydrophobicContact CG-CD1 3.47Å; M1842-L1932 VanDerWaalsContact CG-CD1 3.47Å; M1842-L1932 HydrophobicContact SD-CD1 3.98Å
1843T78.8Confident78.6Confident59 Ų5944.1 Ų44.136%0.36226%0.255SS..Hα-helixtrans-64.9-43.9-176.3-560000111.8F1839 L1840F1839-T1843 WeakPolarHBondContact O-CB 3.31Å; F1839-T1843 PolarHBondContact O-N 2.83Å; F1839-T1843 PolarHBondContact O-OG1 3.23Å; L1840-T1843 PolarHBondContact O-N 3.45Å
1844F80.5Confident77.4Confident161 Ų16146.3 Ų46.371%0.70627%0.265SS*.Hα-helixtrans-77.5-31.7175.4-64.9-55.8000112.9L1840 Y1846L1840-F1844 HydrophobicContact CB-CD2 4.28Å; L1840-F1844 HydrophobicContact CB-CE2 4.14Å; L1840-F1844 HydrophobicContact CD2-CE2 4.05Å; L1840-F1844 WeakPolarHBondContact O-CD2 3.3Å; L1840-F1844 PolarHBondContact O-N 2.69Å; F1844-Y1846 VanDerWaalsContact C-N 3.26Å; F1844-Y1846 PolarHBondContact O-N 2.93Å
1845G74.4Confident75.9Confident9 Ų947.2 Ų47.29%0.09328%0.281CS..THydrogen-bonded Turntrans-84.216.6-179.600000115.5I1841 M1842 S1847 A1848 F1849I1841-G1845 WeakPolarHBondContact O-CA 3.22Å; I1841-G1845 PolarHBondContact O-N 3.12Å; M1842-G1845 CarbonylContact O-C 3.56Å; M1842-G1845 PolarHBondContact O-N 3.19Å; G1845-S1847 VanDerWaalsContact C-N 3.26Å; G1845-S1847 PolarHBondContact O-N 3.39Å; G1845-S1847 VanDerWaalsContact O-N 3.11Å; G1845-A1848 WeakPolarHBondContact O-CB 3.33Å; G1845-A1848 PolarHBondContact O-N 2.88Å; G1845-F1849 WeakPolarHBondContact O-CD2 3.46Å
1846Y75.3Confident74.6Confident30 Ų3050.9 Ų50.912%0.11830%0.3CS..G310 helixtrans-49.8-40.2-170.578.8-78000114.3M1842 F1844 A1848 F1849 G1855 N1856 V1857 D1860M1842-Y1846 PolarHBondContact O-N 3.26Å; F1844-Y1846 VanDerWaalsContact C-N 3.26Å; F1844-Y1846 PolarHBondContact O-N 2.93Å; Y1846-A1848 PolarHBondContact O-N 3.49Å; Y1846-F1849 PolarHBondContact O-N 3.35Å; Y1846-G1855 WeakPolarHBondContact OH-CA 3.12Å; Y1846-G1855 PolarHBondContact OH-O 3.5Å; Y1846-N1856 PolarHBondContact OH-N 3.44Å; Y1846-V1857 HydrophobicContact CD1-CG2 4.26Å; Y1846-V1857 HydrophobicContact CE1-CG2 3.53Å; Y1846-V1857 WeakPolarHBondContact OH-CA 3.31Å; Y1846-V1857 PolarHBondContact OH-N 3.24Å; Y1846-V1857 VanDerWaalsContact OH-N 3.08Å; Y1846-D1860 HydrophobicContact CE2-CB 3.93Å; Y1846-D1860 VanDerWaalsContact CE2-OD2 3.26Å; Y1846-D1860 WeakPolarHBondContact CE2-OD2 3.46Å; Y1846-D1860 PolarHBondContact OH-OD2 3.17Å
1847S73.6Confident73.5Confident36 Ų3652.7 Ų52.725%0.25231%0.311SS..G310 helixtrans-69.7-14.3-178.459.90000114.4G1845G1845-S1847 VanDerWaalsContact C-N 3.26Å; G1845-S1847 PolarHBondContact O-N 3.39Å; G1845-S1847 VanDerWaalsContact O-N 3.11Å
1848A75.4Confident72.2Confident14 Ų1453.2 Ų53.212%0.11631%0.314CS..G310 helixtrans-88.5-8.4179.800000114G1845 Y1846 N1926 V1928G1845-A1848 WeakPolarHBondContact O-CB 3.33Å; G1845-A1848 PolarHBondContact O-N 2.88Å; Y1846-A1848 PolarHBondContact O-N 3.49Å; A1848-N1926 PolarHBondContact O-ND2 3.26Å; A1848-V1928 HydrophobicContact CB-CB 3.71Å; A1848-V1928 HydrophobicContact CB-CG1 4.4Å; A1848-V1928 HydrophobicContact CB-CG2 3.5Å; A1848-V1928 VanDerWaalsContact CB-CG2 3.5Å
1849F76.1Confident71Confident1 Ų156.1 Ų56.10%0.00433%0.33CS..SBendtrans-99.1-7.2-179.7-64.3-75.5000113.9M1842 G1845 Y1846 T1869 L1870 M1873 L1915 T1919 V1928 L1932M1842-F1849 HydrophobicContact CG-CZ 4.4Å; G1845-F1849 WeakPolarHBondContact O-CD2 3.46Å; Y1846-F1849 PolarHBondContact O-N 3.35Å; F1849-T1869 PolarHBondContact O-OG1 3.21Å; F1849-L1870 HydrophobicContact CB-CB 4.35Å; F1849-L1870 HydrophobicContact CD2-CD1 3.98Å; F1849-L1870 HydrophobicContact CE2-CD1 4.41Å; F1849-M1873 HydrophobicContact CD1-CE 4.23Å; F1849-M1873 HydrophobicContact CD1-SD 3.74Å; F1849-M1873 HydrophobicContact CE1-CE 3.59Å; F1849-M1873 HydrophobicContact CE1-SD 3.75Å; F1849-M1873 HydrophobicContact CZ-CE 4.07Å; F1849-L1915 HydrophobicContact CD1-CD1 4.09Å; F1849-L1915 HydrophobicContact CD1-CD2 4.3Å; F1849-L1915 HydrophobicContact CE1-CD2 4.36Å; F1849-T1919 WeakPolarHBondContact O-CG2 3.21Å; F1849-V1928 HydrophobicContact CE2-CG1 3.56Å; F1849-V1928 HydrophobicContact CZ-CG1 3.63Å; F1849-L1932 HydrophobicContact CZ-CD1 4.14Å
1850G68.1Low69.9Low12 Ų1253.6 Ų53.612%0.12432%0.319CS..SBendtrans-128.9175.5-179.300000113.8G1852G1850-G1852 PolarHBondContact O-N 2.95Å; G1850-G1852 VanDerWaalsContact O-N 3.12Å
1851E64.7Low68.9Low154 Ų15454 Ų5472%0.7233%0.325SS*.SBendtrans-7992.2-179.8-62.6-174147.100111.2
1852G57.3Low67.7Low43 Ų4356.9 Ų56.944%0.44334%0.336SS..  trans77.747.5162.300000116.6G1850G1850-G1852 PolarHBondContact O-N 2.95Å; G1850-G1852 VanDerWaalsContact O-N 3.12Å
1853G56.2Low66.9Low31 Ų3159.3 Ų59.332%0.3236%0.356SS..  trans-65.3142.6166.300000112.2G1855 D1860G1853-G1855 PolarHBondContact O-N 3.02Å; G1853-D1860 WeakPolarHBondContact CA-OD2 3.41Å
1854S59.2Low66.2Low76 Ų7661.4 Ų61.453%0.53137%0.373SS..  trans-69.2-16.5-177.863.10000113.8N1856 D1860S1854-N1856 PolarHBondContact O-N 3.41Å; S1854-N1856 PolarHBondContact OG-N 3.32Å; S1854-N1856 PolarHBondContact OG-O 3.04Å; S1854-D1860 WeakPolarHBondContact CB-OD1 3.43Å; S1854-D1860 PolarHBondContact N-OD1 3.47Å; S1854-D1860 PolarHBondContact N-OD2 3.49Å; S1854-D1860 PolarHBondContact OG-OD1 2.89Å
1855G59.8Low65.5Low44 Ų4461.6 Ų61.645%0.45437%0.369SS..SBendtrans83.5-20.7-169.200000112.8Y1846 G1853 V1857Y1846-G1855 WeakPolarHBondContact OH-CA 3.12Å; Y1846-G1855 PolarHBondContact OH-O 3.5Å; G1853-G1855 PolarHBondContact O-N 3.02Å; G1855-V1857 PolarHBondContact O-N 2.89Å
1856N63.5Low65.1Low78 Ų7866.2 Ų66.242%0.41739%0.391SS..  trans-85.5105.2171.4-169.99000110.8Y1846 S1854 L1858 D1859 D1860Y1846-N1856 PolarHBondContact OH-N 3.44Å; S1854-N1856 PolarHBondContact O-N 3.41Å; S1854-N1856 PolarHBondContact OG-N 3.32Å; S1854-N1856 PolarHBondContact OG-O 3.04Å; N1856-L1858 PolarHBondContact O-N 2.85Å; N1856-L1858 PolarHBondContact OD1-N 3.41Å; N1856-D1859 HydrophobicContact CB-CB 4.37Å; N1856-D1859 PolarHBondContact ND2-OD2 3.37Å; N1856-D1859 PolarHBondContact O-N 2.99Å; N1856-D1860 PolarHBondContact O-N 2.97Å; N1856-D1860 VanDerWaalsContact O-N 3.14Å
1857V62Low64.9Low84 Ų8465.7 Ų65.751%0.50939%0.391SS..Hα-helixtrans-51.8-35.5-179.8179.60000111.2Y1846 G1855 D1859 V1861Y1846-V1857 HydrophobicContact CD1-CG2 4.26Å; Y1846-V1857 HydrophobicContact CE1-CG2 3.53Å; Y1846-V1857 WeakPolarHBondContact OH-CA 3.31Å; Y1846-V1857 PolarHBondContact OH-N 3.24Å; Y1846-V1857 VanDerWaalsContact OH-N 3.08Å; G1855-V1857 PolarHBondContact O-N 2.89Å; V1857-D1859 VanDerWaalsContact C-N 3.31Å; V1857-D1859 PolarHBondContact O-N 3.25Å; V1857-V1861 HydrophobicContact CG1-CG2 4.12Å; V1857-V1861 WeakPolarHBondContact O-CB 3.38Å; V1857-V1861 WeakPolarHBondContact O-CG2 3.43Å; V1857-V1861 PolarHBondContact O-N 3.44Å
1858L60.3Low65.1Low94 Ų9469.2 Ų69.249%0.49241%0.411SS..Hα-helixtrans-66.2-31.4-178.5-157.876.7000113N1856 K1862N1856-L1858 PolarHBondContact O-N 2.85Å; N1856-L1858 PolarHBondContact OD1-N 3.41Å; L1858-K1862 WeakPolarHBondContact O-CD 3.08Å; L1858-K1862 WeakPolarHBondContact O-CE 3.41Å; L1858-K1862 WeakPolarHBondContact O-CG 3.33Å; L1858-K1862 PolarHBondContact O-N 2.96Å
1859D63.9Low65.3Low63 Ų6369.2 Ų69.234%0.33741%0.409SS..Hα-helixtrans-90.2-39.6-177-62.8-33.5000111.5N1856 V1857 V1861 K1862 A1863N1856-D1859 HydrophobicContact CB-CB 4.37Å; N1856-D1859 PolarHBondContact ND2-OD2 3.37Å; N1856-D1859 PolarHBondContact O-N 2.99Å; V1857-D1859 VanDerWaalsContact C-N 3.31Å; V1857-D1859 PolarHBondContact O-N 3.25Å; D1859-V1861 VanDerWaalsContact C-N 3.27Å; D1859-V1861 PolarHBondContact O-N 2.86Å; D1859-K1862 WeakPolarHBondContact O-CB 3.4Å; D1859-K1862 PolarHBondContact O-N 2.96Å; D1859-K1862 WeakPolarHBondContact OD1-CE 3.45Å; D1859-K1862 IonicContact OD1-NZ 3.13Å; D1859-K1862 PolarHBondContact OD1-NZ 3.48Å; D1859-A1863 WeakPolarHBondContact O-CB 3.3Å; D1859-A1863 PolarHBondContact O-N 3.32Å
1860D64.8Low65.5Low11 Ų1169.9 Ų69.96%0.05941%0.413CS..Hα-helixtrans-65.6-32.5174.3-65.4-4.7000110.9Y1846 G1853 S1854 N1856 S1864 R1865Y1846-D1860 HydrophobicContact CE2-CB 3.93Å; Y1846-D1860 VanDerWaalsContact CE2-OD2 3.26Å; Y1846-D1860 WeakPolarHBondContact CE2-OD2 3.46Å; Y1846-D1860 PolarHBondContact OH-OD2 3.17Å; G1853-D1860 WeakPolarHBondContact CA-OD2 3.41Å; S1854-D1860 WeakPolarHBondContact CB-OD1 3.43Å; S1854-D1860 PolarHBondContact N-OD1 3.47Å; S1854-D1860 PolarHBondContact N-OD2 3.49Å; S1854-D1860 PolarHBondContact OG-OD1 2.89Å; N1856-D1860 PolarHBondContact O-N 2.97Å; N1856-D1860 VanDerWaalsContact O-N 3.14Å; D1860-S1864 PolarHBondContact O-N 2.95Å; D1860-R1865 PolarHBondContact O-N 2.72Å
1861V64.3Low66.2Low88 Ų8872.8 Ų72.853%0.53343%0.428SS..Hα-helixtrans-71.4-41.1170.1169.10000112.6V1857 D1859 A1863 S1864V1857-V1861 HydrophobicContact CG1-CG2 4.12Å; V1857-V1861 WeakPolarHBondContact O-CB 3.38Å; V1857-V1861 WeakPolarHBondContact O-CG2 3.43Å; V1857-V1861 PolarHBondContact O-N 3.44Å; D1859-V1861 VanDerWaalsContact C-N 3.27Å; D1859-V1861 PolarHBondContact O-N 2.86Å; V1861-A1863 PolarHBondContact O-N 3.21Å; V1861-S1864 PolarHBondContact O-N 3.39Å
1862K61Low67.1Low105 Ų10569.1 Ų69.146%0.45742%0.416SS..Hα-helixtrans-56.8-41.2172.2-76.8164.6-156.2166.70111.2L1858 D1859 S1864L1858-K1862 WeakPolarHBondContact O-CD 3.08Å; L1858-K1862 WeakPolarHBondContact O-CE 3.41Å; L1858-K1862 WeakPolarHBondContact O-CG 3.33Å; L1858-K1862 PolarHBondContact O-N 2.96Å; D1859-K1862 WeakPolarHBondContact O-CB 3.4Å; D1859-K1862 PolarHBondContact O-N 2.96Å; D1859-K1862 WeakPolarHBondContact OD1-CE 3.45Å; D1859-K1862 IonicContact OD1-NZ 3.13Å; D1859-K1862 PolarHBondContact OD1-NZ 3.48Å; K1862-S1864 PolarHBondContact O-N 2.9Å
1863A64.8Low68.2Low53 Ų5368 Ų6844%0.43840%0.4SS..THydrogen-bonded Turntrans-77.9-2.8178.600000113.9D1859 V1861 R1865D1859-A1863 WeakPolarHBondContact O-CB 3.3Å; D1859-A1863 PolarHBondContact O-N 3.32Å; V1861-A1863 PolarHBondContact O-N 3.21Å; A1863-R1865 HydrophobicContact CB-CB 4.39Å; A1863-R1865 HydrophobicContact CB-CG 3.74Å; A1863-R1865 PolarHBondContact O-N 3.06Å; A1863-R1865 VanDerWaalsContact O-N 3.17Å
1864S65.9Low69.6Low102 Ų10269.2 Ų69.271%0.71340%0.398SS*.THydrogen-bonded Turntrans55.523-173-54.40000114.5D1860 V1861 K1862 I1866D1860-S1864 PolarHBondContact O-N 2.95Å; V1861-S1864 PolarHBondContact O-N 3.39Å; K1862-S1864 PolarHBondContact O-N 2.9Å; S1864-I1866 VanDerWaalsContact C-N 3.25Å; S1864-I1866 PolarHBondContact O-N 3.34Å
1865R64.3Low70.9Confident165 Ų16569.1 Ų69.162%0.62339%0.394SS*.  trans-84.952.8-174.4-68.7-178.7-177.9-174.41.7112.6D1860 A1863 P1867D1860-R1865 PolarHBondContact O-N 2.72Å; A1863-R1865 HydrophobicContact CB-CB 4.39Å; A1863-R1865 HydrophobicContact CB-CG 3.74Å; A1863-R1865 PolarHBondContact O-N 3.06Å; A1863-R1865 VanDerWaalsContact O-N 3.17Å; R1865-P1867 WeakPolarHBondContact O-CD 3.31Å
1866I66.7Low72.2Confident106 Ų10668.8 Ų68.854%0.54439%0.391SS..  trans-77.8119.5171.9-55.2179.4000108.2S1864 V1868 V1871S1864-I1866 VanDerWaalsContact C-N 3.25Å; S1864-I1866 PolarHBondContact O-N 3.34Å; I1866-V1868 PolarHBondContact O-N 3.03Å; I1866-V1871 HydrophobicContact CG2-CG2 3.71Å
1867P71Confident73.3Confident19 Ų1966.1 Ų66.112%0.12338%0.377CS..  trans-64.6129.7-177.8-2335000112.1R1865 T1869 L1870 V1871R1865-P1867 WeakPolarHBondContact O-CD 3.31Å; P1867-T1869 WeakPolarHBondContact CB-OG1 3.48Å; P1867-T1869 PolarHBondContact O-N 3.29Å; P1867-L1870 HydrophobicContact CB-CB 4.1Å; P1867-L1870 WeakPolarHBondContact O-CB 3.36Å; P1867-L1870 PolarHBondContact O-N 2.88Å; P1867-V1871 PolarHBondContact O-N 3.28Å
1868V78.1Confident74.5Confident111 Ų11164.5 Ų64.567%0.67337%0.367SS*.Hα-helixtrans-58.9-38.4178.3-178.70000111.2I1866 L1870 V1871 V1872I1866-V1868 PolarHBondContact O-N 3.03Å; V1868-L1870 VanDerWaalsContact C-N 3.33Å; V1868-L1870 PolarHBondContact O-N 3.5Å; V1868-V1871 PolarHBondContact O-N 3.34Å; V1868-V1872 HydrophobicContact CG1-CG2 4.43Å; V1868-V1872 WeakPolarHBondContact O-CG2 3.22Å; V1868-V1872 PolarHBondContact O-N 3.23Å
1869T80.1Confident75.8Confident14 Ų1464.5 Ų64.59%0.08637%0.367CS..Hα-helixtrans-51.3-46.4170.743.80000112.8F1849 P1867 M1873 M1918F1849-T1869 PolarHBondContact O-OG1 3.21Å; P1867-T1869 WeakPolarHBondContact CB-OG1 3.48Å; P1867-T1869 PolarHBondContact O-N 3.29Å; T1869-M1873 WeakPolarHBondContact O-CB 3.36Å; T1869-M1873 VanDerWaalsContact O-CG 3.27Å; T1869-M1873 WeakPolarHBondContact O-CG 3.34Å; T1869-M1873 PolarHBondContact O-N 3.49Å; T1869-M1918 HydrophobicContact CG2-CB 4.47Å; T1869-M1918 HydrophobicContact CG2-CE 3.78Å; T1869-M1918 HydrophobicContact CG2-SD 4.07Å
1870L80.5Confident77Confident15 Ų1561.7 Ų61.78%0.07935%0.353CS..Hα-helixtrans-66.5-43.6178.2176.570.4000111.7M1842 F1849 P1867 V1868 V1872 M1873 L1874M1842-L1870 HydrophobicContact CB-CD1 4.21Å; M1842-L1870 WeakPolarHBondContact O-CD1 3.36Å; F1849-L1870 HydrophobicContact CB-CB 4.35Å; F1849-L1870 HydrophobicContact CD2-CD1 3.98Å; F1849-L1870 HydrophobicContact CE2-CD1 4.41Å; P1867-L1870 HydrophobicContact CB-CB 4.1Å; P1867-L1870 WeakPolarHBondContact O-CB 3.36Å; P1867-L1870 PolarHBondContact O-N 2.88Å; V1868-L1870 VanDerWaalsContact C-N 3.33Å; V1868-L1870 PolarHBondContact O-N 3.5Å; L1870-V1872 PolarHBondContact O-N 3.43Å; L1870-M1873 PolarHBondContact O-N 3.41Å; L1870-L1874 WeakPolarHBondContact O-CB 3.33Å; L1870-L1874 PolarHBondContact O-N 3.1Å
1871V81.3Confident78.2Confident73 Ų7362.6 Ų62.644%0.44236%0.357SS..Hα-helixtrans-61.8-45.6179.2-1790000110.4I1866 P1867 V1868 M1873 L1874 V1875I1866-V1871 HydrophobicContact CG2-CG2 3.71Å; P1867-V1871 PolarHBondContact O-N 3.28Å; V1868-V1871 PolarHBondContact O-N 3.34Å; V1871-M1873 PolarHBondContact O-N 3.49Å; V1871-L1874 PolarHBondContact O-N 3.38Å; V1871-V1875 WeakPolarHBondContact O-CB 3.44Å; V1871-V1875 WeakPolarHBondContact O-CG2 3.37Å; V1871-V1875 PolarHBondContact O-N 2.9Å
1872V83.3Confident79.4Confident76 Ų7661.2 Ų61.246%0.46135%0.346SS..Hα-helixtrans-61.5-43.4175.8172.50000111.4V1868 L1870 G1876 W1910V1868-V1872 HydrophobicContact CG1-CG2 4.43Å; V1868-V1872 WeakPolarHBondContact O-CG2 3.22Å; V1868-V1872 PolarHBondContact O-N 3.23Å; L1870-V1872 PolarHBondContact O-N 3.43Å; V1872-G1876 PolarHBondContact O-N 2.85Å; V1872-W1910 HydrophobicContact CG1-CH2 3.9Å; V1872-W1910 HydrophobicContact CG1-CZ2 4.27Å
1873M81.9Confident80.7Confident21 Ų2160.2 Ų60.210%0.10335%0.345CS..Hα-helixtrans-67.6-39.1178.2-73.7179.264.700113.2M1842 F1849 T1869 L1870 V1871 G1876 M1877 W1910 L1932M1842-M1873 HydrophobicContact SD-CB 3.91Å; M1842-M1873 HydrophobicContact SD-CE 4.07Å; F1849-M1873 HydrophobicContact CD1-CE 4.23Å; F1849-M1873 HydrophobicContact CD1-SD 3.74Å; F1849-M1873 HydrophobicContact CE1-CE 3.59Å; F1849-M1873 HydrophobicContact CE1-SD 3.75Å; F1849-M1873 HydrophobicContact CZ-CE 4.07Å; T1869-M1873 WeakPolarHBondContact O-CB 3.36Å; T1869-M1873 VanDerWaalsContact O-CG 3.27Å; T1869-M1873 WeakPolarHBondContact O-CG 3.34Å; T1869-M1873 PolarHBondContact O-N 3.49Å; L1870-M1873 PolarHBondContact O-N 3.41Å; V1871-M1873 PolarHBondContact O-N 3.49Å; M1873-G1876 PolarHBondContact O-N 2.89Å; M1873-M1877 WeakPolarHBondContact O-CB 3.46Å; M1873-M1877 WeakPolarHBondContact O-CG 3.45Å; M1873-M1877 PolarHBondContact O-N 3.09Å; M1873-W1910 HydrophobicContact CG-CZ2 4.09Å; M1873-W1910 PolarHBondContact SD-NE1 3.09Å; M1873-L1932 HydrophobicContact CE-CD1 3.59Å
1874L84.7Confident81.9Confident56 Ų5657.8 Ų57.829%0.29333%0.325SS..Hα-helixtrans-67.6-47.2179.1-167.1158000110.9F1839 L1870 V1871 M1877 T1878F1839-L1874 HydrophobicContact CE2-CD1 4.32Å; F1839-L1874 HydrophobicContact CE2-CD2 3.78Å; F1839-L1874 HydrophobicContact CE2-CG 3.76Å; F1839-L1874 HydrophobicContact CZ-CD1 4.39Å; F1839-L1874 HydrophobicContact CZ-CD2 4.25Å; F1839-L1874 HydrophobicContact CZ-CG 4.29Å; L1870-L1874 WeakPolarHBondContact O-CB 3.33Å; L1870-L1874 PolarHBondContact O-N 3.1Å; V1871-L1874 PolarHBondContact O-N 3.38Å; L1874-M1877 PolarHBondContact O-N 2.8Å; L1874-T1878 HydrophobicContact CD2-CG2 4.25Å; L1874-T1878 PolarHBondContact O-N 2.75Å; L1874-T1878 PolarHBondContact O-OG1 3.42Å
1875V86.5Confident83Confident73 Ų7355.2 Ų55.244%0.44230%0.299SS..Hα-helixtrans-64.4-41.3174.9174.10000111.3V1871 M1877 T1878 L1879V1871-V1875 WeakPolarHBondContact O-CB 3.44Å; V1871-V1875 WeakPolarHBondContact O-CG2 3.37Å; V1871-V1875 PolarHBondContact O-N 2.9Å; V1875-M1877 VanDerWaalsContact C-N 3.31Å; V1875-M1877 PolarHBondContact O-N 3.18Å; V1875-T1878 PolarHBondContact O-N 2.89Å; V1875-T1878 PolarHBondContact O-OG1 2.77Å; V1875-T1878 VanDerWaalsContact O-OG1 3.08Å; V1875-L1879 HydrophobicContact CG1-CD1 4.01Å; V1875-L1879 WeakPolarHBondContact O-CB 3.36Å; V1875-L1879 VanDerWaalsContact O-CG 3.3Å; V1875-L1879 WeakPolarHBondContact O-CG 3.19Å; V1875-L1879 PolarHBondContact O-N 3.33Å; V1875-L1879 VanDerWaalsContact O-N 3.07Å
1876G86.6Confident84.1Confident38 Ų3847.9 Ų47.939%0.39227%0.274SS..Hα-helixtrans-60.2-39.6175.500000112.8V1872 M1873 A1880V1872-G1876 PolarHBondContact O-N 2.85Å; M1873-G1876 PolarHBondContact O-N 2.89Å; G1876-A1880 VanDerWaalsContact O-CB 3.3Å; G1876-A1880 WeakPolarHBondContact O-CB 3.2Å; G1876-A1880 PolarHBondContact O-N 3.49Å
1877M87.9Confident85.2Confident22 Ų2244.3 Ų44.311%0.10826%0.256CS..Hα-helixtrans-77-35.2178.5-82.2-72.4-6200114D1835 C1838 M1842 M1873 L1874 V1875 A1880 I1881D1835-M1877 HydrophobicContact CB-CE 4.33Å; C1838-M1877 HydrophobicContact CB-CE 3.6Å; M1842-M1877 HydrophobicContact CE-CB 3.67Å; M1842-M1877 HydrophobicContact CE-CG 3.61Å; M1842-M1877 HydrophobicContact SD-CG 4.08Å; M1873-M1877 WeakPolarHBondContact O-CB 3.46Å; M1873-M1877 WeakPolarHBondContact O-CG 3.45Å; M1873-M1877 PolarHBondContact O-N 3.09Å; L1874-M1877 PolarHBondContact O-N 2.8Å; V1875-M1877 VanDerWaalsContact C-N 3.31Å; V1875-M1877 PolarHBondContact O-N 3.18Å; M1877-A1880 PolarHBondContact O-N 3.38Å; M1877-I1881 VanDerWaalsContact O-CG1 3.28Å; M1877-I1881 WeakPolarHBondContact O-CG1 3.26Å; M1877-I1881 PolarHBondContact O-N 2.77Å
1878T87Confident85.9Confident50 Ų5044 Ų4431%0.30725%0.252SS..Hα-helixtrans-65.4-41.5172.9540000110.9F1839 L1874 V1875 I1881 I1882F1839-T1878 HydrophobicContact CD2-CG2 4.26Å; F1839-T1878 HydrophobicContact CE2-CG2 3.73Å; L1874-T1878 HydrophobicContact CD2-CG2 4.25Å; L1874-T1878 PolarHBondContact O-N 2.75Å; L1874-T1878 PolarHBondContact O-OG1 3.42Å; V1875-T1878 PolarHBondContact O-N 2.89Å; V1875-T1878 PolarHBondContact O-OG1 2.77Å; V1875-T1878 VanDerWaalsContact O-OG1 3.08Å; T1878-I1881 PolarHBondContact O-N 3.43Å; T1878-I1882 WeakPolarHBondContact O-CD1 3.34Å; T1878-I1882 VanDerWaalsContact O-CG1 3.27Å; T1878-I1882 WeakPolarHBondContact O-CG1 3.31Å; T1878-I1882 PolarHBondContact O-N 2.89Å
1879L87.9Confident86.2Confident93 Ų9340.6 Ų40.649%0.48723%0.23SC..Hα-helixtrans-61-43.5170.9-69.4171.6000111.9V1875 I1881 I1882 I1883V1875-L1879 HydrophobicContact CG1-CD1 4.01Å; V1875-L1879 WeakPolarHBondContact O-CB 3.36Å; V1875-L1879 VanDerWaalsContact O-CG 3.3Å; V1875-L1879 WeakPolarHBondContact O-CG 3.19Å; V1875-L1879 PolarHBondContact O-N 3.33Å; V1875-L1879 VanDerWaalsContact O-N 3.07Å; L1879-I1881 VanDerWaalsContact C-N 3.32Å; L1879-I1881 PolarHBondContact O-N 3.03Å; L1879-I1882 PolarHBondContact O-N 3.39Å; L1879-I1883 WeakPolarHBondContact O-CB 3.44Å; L1879-I1883 VanDerWaalsContact O-CG1 3.27Å; L1879-I1883 WeakPolarHBondContact O-CG1 3.3Å; L1879-I1883 PolarHBondContact O-N 2.85Å
1880A88.8Confident86.4Confident5 Ų546.3 Ų46.34%0.04125%0.25CS..Hα-helixtrans-61.2-37.2177.800000113.1G1876 M1877 D1884 Y1899 M1903G1876-A1880 VanDerWaalsContact O-CB 3.3Å; G1876-A1880 WeakPolarHBondContact O-CB 3.2Å; G1876-A1880 PolarHBondContact O-N 3.49Å; M1877-A1880 PolarHBondContact O-N 3.38Å; A1880-D1884 WeakPolarHBondContact O-CB 3.43Å; A1880-D1884 PolarHBondContact O-N 3.07Å; A1880-Y1899 PolarHBondContact O-OH 3.41Å; A1880-Y1899 VanDerWaalsContact O-OH 3.08Å; A1880-M1903 HydrophobicContact CB-CE 4.07Å
1881I89.1Confident86.6Confident29 Ų2948.9 Ų48.915%0.14926%0.261CS..Hα-helixtrans-68.8-42.5175.5-70.3164.6000111.2F1832 D1835 M1877 T1878 L1879 D1884 R1885F1832-I1881 HydrophobicContact CD2-CG2 4.15Å; F1832-I1881 HydrophobicContact CE2-CG2 3.93Å; D1835-I1881 HydrophobicContact CB-CD1 4.14Å; D1835-I1881 HydrophobicContact CB-CG1 3.93Å; M1877-I1881 VanDerWaalsContact O-CG1 3.28Å; M1877-I1881 WeakPolarHBondContact O-CG1 3.26Å; M1877-I1881 PolarHBondContact O-N 2.77Å; T1878-I1881 PolarHBondContact O-N 3.43Å; L1879-I1881 VanDerWaalsContact C-N 3.32Å; L1879-I1881 PolarHBondContact O-N 3.03Å; I1881-D1884 PolarHBondContact O-N 2.78Å; I1881-R1885 PolarHBondContact O-N 3.33Å
1882I89.3Confident86.9Confident60 Ų6047.5 Ų47.531%0.30825%0.254SS..Hα-helixtrans-63.4-43.8177-66.3163.5000110.5T1878 L1879 R1885 A1886 I1988T1878-I1882 WeakPolarHBondContact O-CD1 3.34Å; T1878-I1882 VanDerWaalsContact O-CG1 3.27Å; T1878-I1882 WeakPolarHBondContact O-CG1 3.31Å; T1878-I1882 PolarHBondContact O-N 2.89Å; L1879-I1882 PolarHBondContact O-N 3.39Å; I1882-R1885 PolarHBondContact O-N 3.08Å; I1882-A1886 WeakPolarHBondContact O-CB 3.32Å; I1882-A1886 PolarHBondContact O-N 2.91Å; I1882-I1988 HydrophobicContact CG1-CD1 3.92Å; I1882-I1988 HydrophobicContact CG2-CD1 4.44Å
1883I89.7Confident86.9Confident84 Ų8445.1 Ų45.143%0.43124%0.24SC..Hα-helixtrans-64.2-39.7176.9-68164.9000111.1L1879 A1886 L1887 Y1899L1879-I1883 WeakPolarHBondContact O-CB 3.44Å; L1879-I1883 VanDerWaalsContact O-CG1 3.27Å; L1879-I1883 WeakPolarHBondContact O-CG1 3.3Å; L1879-I1883 PolarHBondContact O-N 2.85Å; I1883-A1886 PolarHBondContact O-N 3.33Å; I1883-L1887 HydrophobicContact CG2-CD1 4.01Å; I1883-L1887 HydrophobicContact CG2-CG 4.43Å; I1883-L1887 WeakPolarHBondContact O-CB 3.31Å; I1883-L1887 WeakPolarHBondContact O-CG 3.43Å; I1883-L1887 PolarHBondContact O-N 2.88Å; I1883-Y1899 HydrophobicContact CB-CE2 4.27Å; I1883-Y1899 HydrophobicContact CG2-CD2 3.69Å; I1883-Y1899 HydrophobicContact CG2-CE2 3.79Å
1884D89.8Confident87.2Confident2 Ų248 Ų481%0.01126%0.258CS..Hα-helixtrans-64.5-45.4176-1624.2000111.9Y1828 A1880 I1881 A1886 L1887 Y1888 K1896 Y1939Y1828-D1884 HydrophobicContact CE2-CB 4.47Å; A1880-D1884 WeakPolarHBondContact O-CB 3.43Å; A1880-D1884 PolarHBondContact O-N 3.07Å; I1881-D1884 PolarHBondContact O-N 2.78Å; D1884-A1886 VanDerWaalsContact C-N 3.3Å; D1884-A1886 PolarHBondContact O-N 3.13Å; D1884-L1887 PolarHBondContact O-N 2.81Å; D1884-Y1888 WeakPolarHBondContact O-CB 3.14Å; D1884-Y1888 PolarHBondContact O-N 2.64Å; D1884-K1896 IonicContact OD1-NZ 3.2Å; D1884-K1896 PolarHBondContact OD1-NZ 3.11Å; D1884-K1896 IonicContact OD2-NZ 2.66Å; D1884-K1896 PolarHBondContact OD2-NZ 3.17Å; D1884-K1896 VanDerWaalsContact OD2-NZ 3.09Å; D1884-Y1939 WeakPolarHBondContact OD2-CE2 3.38Å; D1884-Y1939 PolarHBondContact OD2-OH 3.22Å
1885R88.6Confident87.3Confident47 Ų4746.2 Ų46.218%0.17725%0.254CS..Hα-helixtrans-60.3-40.6175.6-173.556.1171.6-178.1-2.4111.8Y1828 I1881 I1882 Y1888 L1889 I1988 D1989Y1828-R1885 WeakPolarHBondContact OH-CA 3.36Å; Y1828-R1885 WeakPolarHBondContact OH-CB 3.44Å; Y1828-R1885 WeakPolarHBondContact OH-CD 3.4Å; I1881-R1885 PolarHBondContact O-N 3.33Å; I1882-R1885 PolarHBondContact O-N 3.08Å; R1885-Y1888 PolarHBondContact O-N 2.84Å; R1885-L1889 HydrophobicContact CG-CD1 4.02Å; R1885-L1889 HydrophobicContact CG-CG 4.49Å; R1885-L1889 WeakPolarHBondContact O-CB 3.23Å; R1885-L1889 VanDerWaalsContact O-CG 3.31Å; R1885-L1889 WeakPolarHBondContact O-CG 3.27Å; R1885-L1889 PolarHBondContact O-N 3.48Å; R1885-I1988 HydrophobicContact CB-CG2 4.12Å; R1885-I1988 HydrophobicContact CG-CG2 3.54Å; R1885-D1989 IonicContact CZ-OD1 3.07Å; R1885-D1989 IonicContact CZ-OD2 3.4Å; R1885-D1989 IonicContact NE-OD1 2.79Å; R1885-D1989 PolarHBondContact NE-OD1 2.96Å; R1885-D1989 IonicContact NH2-OD1 3.5Å; R1885-D1989 PolarHBondContact NH2-OD1 3.15Å; R1885-D1989 IonicContact NH2-OD2 3.11Å; R1885-D1989 PolarHBondContact NH2-OD2 2.82Å
1886A87.4Confident87.5Confident12 Ų1242.8 Ų42.810%0.09923%0.233CC..Hα-helixtrans-64.4-44.1175.800000112.5I1882 I1883 D1884 L1889 R1890 W1992I1882-A1886 WeakPolarHBondContact O-CB 3.32Å; I1882-A1886 PolarHBondContact O-N 2.91Å; I1883-A1886 PolarHBondContact O-N 3.33Å; D1884-A1886 VanDerWaalsContact C-N 3.3Å; D1884-A1886 PolarHBondContact O-N 3.13Å; A1886-L1889 PolarHBondContact O-N 2.86Å; A1886-R1890 WeakPolarHBondContact O-CB 3.43Å; A1886-R1890 WeakPolarHBondContact O-CG 3.45Å; A1886-R1890 PolarHBondContact O-N 2.95Å; A1886-W1992 HydrophobicContact CB-CD2 3.96Å; A1886-W1992 HydrophobicContact CB-CG 4.2Å; A1886-W1992 HydrophobicContact CB-CZ2 4Å
1887L89Confident87.6Confident30 Ų3042.3 Ų42.316%0.15722%0.221CC..Hα-helixtrans-64.8-37.9176.8-74.5172000112.5I1883 D1884 R1890 K1891 S1892 K1896 Y1899I1883-L1887 HydrophobicContact CG2-CD1 4.01Å; I1883-L1887 HydrophobicContact CG2-CG 4.43Å; I1883-L1887 WeakPolarHBondContact O-CB 3.31Å; I1883-L1887 WeakPolarHBondContact O-CG 3.43Å; I1883-L1887 PolarHBondContact O-N 2.88Å; D1884-L1887 PolarHBondContact O-N 2.81Å; L1887-R1890 CarbonylContact O-C 3.51Å; L1887-K1891 PolarHBondContact O-N 3.41Å; L1887-K1891 VanDerWaalsContact O-N 3.08Å; L1887-S1892 PolarHBondContact O-N 3.43Å; L1887-S1892 VanDerWaalsContact O-N 3.1Å; L1887-K1896 HydrophobicContact CD1-CD 4.46Å; L1887-Y1899 HydrophobicContact CD1-CD2 4.11Å; L1887-Y1899 HydrophobicContact CD1-CG 3.99Å
1888Y87.3Confident87.7Confident14 Ų1446 Ų466%0.05524%0.24CC..Hα-helixtrans-63.8-51.9173.3172.3-97.4000112Y1828 D1884 R1885 R1890 K1891 Y1951Y1828-Y1888 VanDerWaalsContact CB-CD2 3.41Å; Y1828-Y1888 VanDerWaalsContact CB-CE2 3.43Å; Y1828-Y1888 HydrophobicContact CD1-CD1 4.18Å; Y1828-Y1888 HydrophobicContact CD1-CD2 4.22Å; Y1828-Y1888 HydrophobicContact CD1-CE1 4.34Å; Y1828-Y1888 HydrophobicContact CD1-CE2 4.35Å; Y1828-Y1888 HydrophobicContact CD1-CG 4.12Å; Y1828-Y1888 HydrophobicContact CD2-CD1 4.38Å; Y1828-Y1888 AromaticContact CD2-CD2 3.63Å; Y1828-Y1888 HydrophobicContact CD2-CD2 3.63Å; Y1828-Y1888 HydrophobicContact CD2-CE2 4.44Å; Y1828-Y1888 AromaticContact CD2-CG 3.59Å; Y1828-Y1888 HydrophobicContact CD2-CG 3.59Å; Y1828-Y1888 HydrophobicContact CE1-CD1 4.49Å; Y1828-Y1888 HydrophobicContact CE2-CG 4.06Å; Y1828-Y1888 HydrophobicContact CG-CD1 4.16Å; Y1828-Y1888 AromaticContact CG-CD2 3.45Å; Y1828-Y1888 HydrophobicContact CG-CD2 3.45Å; Y1828-Y1888 VanDerWaalsContact CG-CD2 3.45Å; Y1828-Y1888 HydrophobicContact CG-CE1 4.49Å; Y1828-Y1888 AromaticContact CG-CE2 3.81Å; Y1828-Y1888 HydrophobicContact CG-CE2 3.81Å; Y1828-Y1888 AromaticContact CG-CG 3.64Å; Y1828-Y1888 HydrophobicContact CG-CG 3.64Å; D1884-Y1888 WeakPolarHBondContact O-CB 3.14Å; D1884-Y1888 PolarHBondContact O-N 2.64Å; R1885-Y1888 PolarHBondContact O-N 2.84Å; Y1888-R1890 VanDerWaalsContact C-N 3.29Å; Y1888-R1890 PolarHBondContact O-N 2.94Å; Y1888-K1891 WeakPolarHBondContact O-CA 3.41Å; Y1888-K1891 PolarHBondContact O-N 3Å; Y1888-Y1951 AromaticContact CD2-CD1 3.99Å; Y1888-Y1951 HydrophobicContact CD2-CD1 3.99Å; Y1888-Y1951 AromaticContact CD2-CE1 3.77Å; Y1888-Y1951 HydrophobicContact CD2-CE1 3.77Å; Y1888-Y1951 HydrophobicContact CE2-CD1 4.31Å; Y1888-Y1951 HydrophobicContact CE2-CE1 4.48Å
1889L83.1Confident87.9Confident38 Ų3844.5 Ų44.520%0.19923%0.229CC..Hα-helixtrans-64-34.3179.9-68.8171.9000112.1R1885 A1886 K1891 W1992R1885-L1889 HydrophobicContact CG-CD1 4.02Å; R1885-L1889 HydrophobicContact CG-CG 4.49Å; R1885-L1889 WeakPolarHBondContact O-CB 3.23Å; R1885-L1889 VanDerWaalsContact O-CG 3.31Å; R1885-L1889 WeakPolarHBondContact O-CG 3.27Å; R1885-L1889 PolarHBondContact O-N 3.48Å; A1886-L1889 PolarHBondContact O-N 2.86Å; L1889-K1891 VanDerWaalsContact C-N 3.26Å; L1889-K1891 PolarHBondContact O-N 3.23Å; L1889-W1992 HydrophobicContact CB-CB 4.06Å; L1889-W1992 HydrophobicContact CD1-CB 3.78Å
1890R85Confident88Confident135 Ų13540.2 Ų40.251%0.50921%0.206SC..THydrogen-bonded Turntrans-78-1.1170.4-69-65.8-165.9-162.8-2114.4A1886 L1887 Y1888 S1892 W1992 D1994A1886-R1890 WeakPolarHBondContact O-CB 3.43Å; A1886-R1890 WeakPolarHBondContact O-CG 3.45Å; A1886-R1890 PolarHBondContact O-N 2.95Å; L1887-R1890 CarbonylContact O-C 3.51Å; Y1888-R1890 VanDerWaalsContact C-N 3.29Å; Y1888-R1890 PolarHBondContact O-N 2.94Å; R1890-S1892 PolarHBondContact O-N 3.31Å; R1890-W1992 HydrophobicContact CG-CE3 4.31Å; R1890-D1994 IonicContact NH1-OD1 2.79Å
1891K84.8Confident88Confident69 Ų6943.1 Ų43.130%0.322%0.223SC..THydrogen-bonded Turntrans5227.6178.8-58.9172.6-176170.80114.1L1887 Y1888 L1889 V1893 E1953 C1955 E2402L1887-K1891 PolarHBondContact O-N 3.41Å; L1887-K1891 VanDerWaalsContact O-N 3.08Å; Y1888-K1891 WeakPolarHBondContact O-CA 3.41Å; Y1888-K1891 PolarHBondContact O-N 3Å; L1889-K1891 VanDerWaalsContact C-N 3.26Å; L1889-K1891 PolarHBondContact O-N 3.23Å; K1891-V1893 PolarHBondContact O-N 3.25Å; K1891-E1953 PolarHBondContact NZ-O 3.3Å; K1891-C1955 VanDerWaalsContact CE-SG 3.53Å; K1891-E2402 IonicContact NZ-OE1 2.69Å; K1891-E2402 PolarHBondContact NZ-OE1 3.19Å
1892S87Confident88.1Confident44 Ų4447.1 Ų47.131%0.30825%0.245SC..  trans-9196.2-167-175.80000113.6L1887 R1890 V1894 G1895 K1896L1887-S1892 PolarHBondContact O-N 3.43Å; L1887-S1892 VanDerWaalsContact O-N 3.1Å; R1890-S1892 PolarHBondContact O-N 3.31Å; S1892-V1894 PolarHBondContact O-N 2.89Å; S1892-G1895 PolarHBondContact O-N 3.39Å; S1892-G1895 PolarHBondContact OG-N 3.02Å; S1892-K1896 WeakPolarHBondContact O-CB 3.24Å; S1892-K1896 PolarHBondContact O-N 3.48Å
1893V84.4Confident88Confident26 Ų2646.1 Ų46.116%0.15824%0.239CC..Hα-helixtrans-64.4-37.6178.6-173.70000112.3F1817 K1891 K1896 L1897 I1947 Y1951F1817-V1893 HydrophobicContact CD1-CG1 4.45Å; F1817-V1893 HydrophobicContact CE1-CG1 4.23Å; K1891-V1893 PolarHBondContact O-N 3.25Å; V1893-K1896 PolarHBondContact O-N 3.4Å; V1893-L1897 PolarHBondContact O-N 3.41Å; V1893-I1947 HydrophobicContact CG1-CG2 4.06Å; V1893-Y1951 HydrophobicContact CG2-CD2 3.81Å; V1893-Y1951 HydrophobicContact CG2-CE2 4.19Å
1894V86.8Confident88.1Confident81 Ų8142.1 Ų42.149%0.49122%0.218SC..Hα-helixtrans-66.4-46.4178.2-179.40000110.9F1817 S1892 K1896 L1897 I1898F1817-V1894 HydrophobicContact CE1-CG2 4.27Å; F1817-V1894 HydrophobicContact CZ-CG2 4.01Å; S1892-V1894 PolarHBondContact O-N 2.89Å; V1894-K1896 VanDerWaalsContact C-N 3.25Å; V1894-K1896 PolarHBondContact O-N 2.86Å; V1894-L1897 PolarHBondContact O-N 2.99Å; V1894-I1898 HydrophobicContact CG1-CD1 4.15Å; V1894-I1898 WeakPolarHBondContact O-CG1 3.36Å; V1894-I1898 PolarHBondContact O-N 3.4Å; V1894-I1898 VanDerWaalsContact O-N 3.1Å
1895G87.9Confident87.9Confident19 Ų1944.2 Ų44.220%0.19624%0.236CC..Hα-helixtrans-60.4-37.5174.200000112S1892 I1898 Y1899S1892-G1895 PolarHBondContact O-N 3.39Å; S1892-G1895 PolarHBondContact OG-N 3.02Å; G1895-I1898 PolarHBondContact O-N 2.79Å; G1895-Y1899 VanDerWaalsContact O-CB 3.3Å; G1895-Y1899 WeakPolarHBondContact O-CB 3.27Å; G1895-Y1899 PolarHBondContact O-N 2.79Å
1896K89.8Confident87.9Confident1 Ų147.2 Ų47.20%0.00425%0.251CS..Hα-helixtrans-66.9-38.5176.4-169.465.9-172.3176.60113.5D1884 L1887 S1892 V1893 V1894 Y1899 Q1900 Y1939 S1943 I1947 Y1951D1884-K1896 IonicContact OD1-NZ 3.2Å; D1884-K1896 PolarHBondContact OD1-NZ 3.11Å; D1884-K1896 IonicContact OD2-NZ 2.66Å; D1884-K1896 PolarHBondContact OD2-NZ 3.17Å; D1884-K1896 VanDerWaalsContact OD2-NZ 3.09Å; L1887-K1896 HydrophobicContact CD1-CD 4.46Å; S1892-K1896 WeakPolarHBondContact O-CB 3.24Å; S1892-K1896 PolarHBondContact O-N 3.48Å; V1893-K1896 PolarHBondContact O-N 3.4Å; V1894-K1896 VanDerWaalsContact C-N 3.25Å; V1894-K1896 PolarHBondContact O-N 2.86Å; K1896-Y1899 HydrophobicContact CD-CD1 4.37Å; K1896-Q1900 WeakPolarHBondContact O-CB 3.22Å; K1896-Q1900 PolarHBondContact O-N 2.98Å; K1896-Y1939 PolarHBondContact NZ-OH 3.33Å; K1896-S1943 WeakPolarHBondContact CE-OG 3.45Å; K1896-I1947 HydrophobicContact CB-CG1 4.41Å; K1896-I1947 HydrophobicContact CG-CD1 4.16Å; K1896-I1947 HydrophobicContact CG-CG1 3.94Å; K1896-Y1951 WeakPolarHBondContact CG-OH 3.47Å
1897L88.9Confident87.9Confident27 Ų2747.3 Ų47.314%0.14125%0.25CC..Hα-helixtrans-65.1-45.6174.8-178.863000111.7L1643 L1816 F1817 V1893 V1894 Q1900 V1901 I1947L1643-L1897 HydrophobicContact CD1-CD1 4.23Å; L1816-L1897 HydrophobicContact CD2-CD2 4.23Å; F1817-L1897 HydrophobicContact CE1-CD2 4.25Å; F1817-L1897 HydrophobicContact CZ-CD2 3.82Å; V1893-L1897 PolarHBondContact O-N 3.41Å; V1894-L1897 PolarHBondContact O-N 2.99Å; L1897-Q1900 PolarHBondContact O-N 3.12Å; L1897-V1901 WeakPolarHBondContact O-CG2 3.24Å; L1897-V1901 PolarHBondContact O-N 2.78Å; L1897-I1947 HydrophobicContact CB-CD1 4.32Å; L1897-I1947 HydrophobicContact CD1-CD1 4.21Å
1898I90.3Very high87.8Confident100 Ų10046.5 Ų46.551%0.51325%0.245SC..Hα-helixtrans-60.4-48.4176.5-65.8166.9000110.4V1894 G1895 Q1900 V1901 L1902V1894-I1898 HydrophobicContact CG1-CD1 4.15Å; V1894-I1898 WeakPolarHBondContact O-CG1 3.36Å; V1894-I1898 PolarHBondContact O-N 3.4Å; V1894-I1898 VanDerWaalsContact O-N 3.1Å; G1895-I1898 PolarHBondContact O-N 2.79Å; I1898-Q1900 VanDerWaalsContact C-N 3.32Å; I1898-Q1900 PolarHBondContact O-N 3.12Å; I1898-V1901 PolarHBondContact O-N 3.02Å; I1898-L1902 HydrophobicContact CG2-CD1 3.91Å; I1898-L1902 HydrophobicContact CG2-CG 4.48Å; I1898-L1902 WeakPolarHBondContact O-CG 3.23Å; I1898-L1902 PolarHBondContact O-N 3.32Å
1899Y91Very high87.8Confident18 Ų1850.3 Ų50.37%0.07127%0.265CS..Hα-helixtrans-55.3-45.1174.3172-84.6000112A1880 I1883 L1887 G1895 K1896 L1902 M1903 Y1939A1880-Y1899 PolarHBondContact O-OH 3.41Å; A1880-Y1899 VanDerWaalsContact O-OH 3.08Å; I1883-Y1899 HydrophobicContact CB-CE2 4.27Å; I1883-Y1899 HydrophobicContact CG2-CD2 3.69Å; I1883-Y1899 HydrophobicContact CG2-CE2 3.79Å; L1887-Y1899 HydrophobicContact CD1-CD2 4.11Å; L1887-Y1899 HydrophobicContact CD1-CG 3.99Å; G1895-Y1899 VanDerWaalsContact O-CB 3.3Å; G1895-Y1899 WeakPolarHBondContact O-CB 3.27Å; G1895-Y1899 PolarHBondContact O-N 2.79Å; K1896-Y1899 HydrophobicContact CD-CD1 4.37Å; Y1899-L1902 PolarHBondContact O-N 2.67Å; Y1899-M1903 HydrophobicContact CD1-CG 4.2Å; Y1899-M1903 HydrophobicContact CD2-CG 4.24Å; Y1899-M1903 HydrophobicContact CE1-CG 3.91Å; Y1899-M1903 HydrophobicContact CE2-CG 4.01Å; Y1899-M1903 HydrophobicContact CG-CG 4.36Å; Y1899-M1903 VanDerWaalsContact O-CB 3.31Å; Y1899-M1903 WeakPolarHBondContact O-CB 3.42Å; Y1899-M1903 VanDerWaalsContact O-CG 3.26Å; Y1899-M1903 WeakPolarHBondContact O-CG 3.49Å; Y1899-M1903 PolarHBondContact O-N 3.07Å; Y1899-Y1939 HydrophobicContact CE1-CE1 4.28Å; Y1899-Y1939 VanDerWaalsContact CE1-OH 3.29Å; Y1899-Y1939 WeakPolarHBondContact CE1-OH 3.24Å; Y1899-Y1939 PolarHBondContact OH-OH 3.25Å
1900Q90.1Very high87.9Confident3 Ų350.5 Ų50.51%0.01426%0.263CS..Hα-helixtrans-65.2-42.7179.9175.6154.2-1000112.4K1896 L1897 I1898 I1904 F1940 S1943 I1947K1896-Q1900 WeakPolarHBondContact O-CB 3.22Å; K1896-Q1900 PolarHBondContact O-N 2.98Å; L1897-Q1900 PolarHBondContact O-N 3.12Å; I1898-Q1900 VanDerWaalsContact C-N 3.32Å; I1898-Q1900 PolarHBondContact O-N 3.12Å; Q1900-I1904 HydrophobicContact CG-CD1 3.59Å; Q1900-I1904 HydrophobicContact CG-CG1 4.31Å; Q1900-I1904 WeakPolarHBondContact O-CB 3.39Å; Q1900-I1904 WeakPolarHBondContact O-CG1 3.46Å; Q1900-I1904 PolarHBondContact O-N 3.02Å; Q1900-F1940 HydrophobicContact CG-CD1 4.43Å; Q1900-F1940 PolarHBondContact NE2-O 3.05Å; Q1900-S1943 VanDerWaalsContact OE1-C 3.28Å; Q1900-S1943 PolarHBondContact OE1-OG 2.9Å; Q1900-I1947 HydrophobicContact CB-CD1 4.21Å; Q1900-I1947 VanDerWaalsContact OE1-CD1 3.28Å
1901V88.7Confident87.9Confident66 Ų6644.4 Ų44.440%0.424%0.241SC..Hα-helixtrans-62.3-47176.8173.40000111.1F1639 L1897 I1898 I1904 A1905F1639-V1901 HydrophobicContact CE1-CG2 4.14Å; L1897-V1901 WeakPolarHBondContact O-CG2 3.24Å; L1897-V1901 PolarHBondContact O-N 2.78Å; I1898-V1901 PolarHBondContact O-N 3.02Å; V1901-I1904 PolarHBondContact O-N 3.08Å; V1901-A1905 WeakPolarHBondContact O-CB 3.31Å; V1901-A1905 PolarHBondContact O-N 3.35Å
1902L90.6Very high87.8Confident114 Ų11442.6 Ų42.660%0.59723%0.233SC*.Hα-helixtrans-62.9-45.6178.8-68.8173.3000112.2I1898 Y1899 A1905 F1906I1898-L1902 HydrophobicContact CG2-CD1 3.91Å; I1898-L1902 HydrophobicContact CG2-CG 4.48Å; I1898-L1902 WeakPolarHBondContact O-CG 3.23Å; I1898-L1902 PolarHBondContact O-N 3.32Å; Y1899-L1902 PolarHBondContact O-N 2.67Å; L1902-A1905 PolarHBondContact O-N 2.96Å; L1902-F1906 WeakPolarHBondContact O-CB 3.39Å; L1902-F1906 PolarHBondContact O-N 3.46Å
1903M88.7Confident87.7Confident38 Ų3843.8 Ų43.819%0.18724%0.236CC..Hα-helixtrans-69.4-34-179.5-71.4-62.6-6700112.9A1880 Y1899 L1907 F1940A1880-M1903 HydrophobicContact CB-CE 4.07Å; Y1899-M1903 HydrophobicContact CD1-CG 4.2Å; Y1899-M1903 HydrophobicContact CD2-CG 4.24Å; Y1899-M1903 HydrophobicContact CE1-CG 3.91Å; Y1899-M1903 HydrophobicContact CE2-CG 4.01Å; Y1899-M1903 HydrophobicContact CG-CG 4.36Å; Y1899-M1903 VanDerWaalsContact O-CB 3.31Å; Y1899-M1903 WeakPolarHBondContact O-CB 3.42Å; Y1899-M1903 VanDerWaalsContact O-CG 3.26Å; Y1899-M1903 WeakPolarHBondContact O-CG 3.49Å; Y1899-M1903 PolarHBondContact O-N 3.07Å; M1903-L1907 VanDerWaalsContact O-CB 3.22Å; M1903-L1907 WeakPolarHBondContact O-CB 3.44Å; M1903-L1907 PolarHBondContact O-N 2.97Å; M1903-F1940 HydrophobicContact CB-CE1 3.68Å; M1903-F1940 HydrophobicContact CB-CZ 3.85Å
1904I90.1Very high87.7Confident0 Ų044.6 Ų44.60%024%0.241CC..Hα-helixtrans-64.9-47.9172.5-73.2168.8000110.1L1635 L1638 F1639 Q1900 V1901 L1907 H1908 F1940L1635-I1904 HydrophobicContact CD2-CG2 4.07Å; L1638-I1904 HydrophobicContact CB-CD1 4.17Å; L1638-I1904 HydrophobicContact CD1-CD1 4.33Å; L1638-I1904 HydrophobicContact CD1-CG1 4.5Å; L1638-I1904 HydrophobicContact CD1-CG2 4.5Å; F1639-I1904 HydrophobicContact CD1-CD1 4.32Å; F1639-I1904 HydrophobicContact CE1-CB 4.22Å; F1639-I1904 HydrophobicContact CE1-CD1 3.8Å; F1639-I1904 HydrophobicContact CE1-CG2 3.99Å; F1639-I1904 HydrophobicContact CE2-CG2 4.09Å; F1639-I1904 HydrophobicContact CZ-CB 4.05Å; F1639-I1904 HydrophobicContact CZ-CD1 4.39Å; F1639-I1904 HydrophobicContact CZ-CG2 3.48Å; F1639-I1904 VanDerWaalsContact CZ-CG2 3.48Å; Q1900-I1904 HydrophobicContact CG-CD1 3.59Å; Q1900-I1904 HydrophobicContact CG-CG1 4.31Å; Q1900-I1904 WeakPolarHBondContact O-CB 3.39Å; Q1900-I1904 WeakPolarHBondContact O-CG1 3.46Å; Q1900-I1904 PolarHBondContact O-N 3.02Å; V1901-I1904 PolarHBondContact O-N 3.08Å; I1904-L1907 PolarHBondContact O-N 3.14Å; I1904-H1908 PolarHBondContact O-N 3.21Å; I1904-H1908 VanDerWaalsContact O-N 3.17Å; I1904-H1908 PolarHBondContact O-ND1 3.24Å; I1904-F1940 HydrophobicContact CD1-CB 4.31Å; I1904-F1940 HydrophobicContact CD1-CD1 4.37Å; I1904-F1940 HydrophobicContact CD1-CG 4.17Å; I1904-F1940 HydrophobicContact CG1-CB 4.33Å; I1904-F1940 HydrophobicContact CG1-CD1 3.81Å; I1904-F1940 HydrophobicContact CG1-CD2 3.67Å; I1904-F1940 HydrophobicContact CG1-CE1 3.97Å; I1904-F1940 HydrophobicContact CG1-CE2 3.81Å; I1904-F1940 HydrophobicContact CG1-CG 3.68Å; I1904-F1940 HydrophobicContact CG1-CZ 3.97Å
1905A87.6Confident87.5Confident46 Ų4641 Ų4138%0.3822%0.219SC..Hα-helixtrans-61.8-48.7179.100000111.7V1901 L1902 L1907 H1908 I1909V1901-A1905 WeakPolarHBondContact O-CB 3.31Å; V1901-A1905 PolarHBondContact O-N 3.35Å; L1902-A1905 PolarHBondContact O-N 2.96Å; A1905-L1907 PolarHBondContact O-N 3.22Å; A1905-H1908 PolarHBondContact O-N 3.37Å; A1905-I1909 WeakPolarHBondContact O-CG1 3.29Å; A1905-I1909 PolarHBondContact O-N 3.13Å; A1905-I1909 VanDerWaalsContact O-N 3.14Å
1906F88Confident87.2Confident111 Ų11140.4 Ų40.449%0.48721%0.211SC..Hα-helixtrans-56.5-48176.9177.6-100.4000112L1902 H1908 I1909 W1910L1902-F1906 WeakPolarHBondContact O-CB 3.39Å; L1902-F1906 PolarHBondContact O-N 3.46Å; F1906-H1908 PolarHBondContact O-N 3.17Å; F1906-I1909 PolarHBondContact O-N 2.92Å; F1906-W1910 HydrophobicContact CE1-CB 4.41Å; F1906-W1910 HydrophobicContact CE1-CG 4.44Å; F1906-W1910 HydrophobicContact CE2-CD2 4.45Å; F1906-W1910 AromaticContact CE2-CE3 3.79Å; F1906-W1910 HydrophobicContact CE2-CE3 3.79Å; F1906-W1910 HydrophobicContact CE2-CZ3 4.34Å; F1906-W1910 HydrophobicContact CZ-CB 4.44Å; F1906-W1910 AromaticContact CZ-CD2 3.93Å; F1906-W1910 HydrophobicContact CZ-CD2 3.93Å; F1906-W1910 AromaticContact CZ-CE3 3.65Å; F1906-W1910 HydrophobicContact CZ-CE3 3.65Å; F1906-W1910 HydrophobicContact CZ-CG 4.28Å; F1906-W1910 HydrophobicContact CZ-CZ3 4.23Å; F1906-W1910 WeakPolarHBondContact O-CB 3.35Å; F1906-W1910 PolarHBondContact O-N 2.89Å
1907L86.8Confident86.9Confident14 Ų1444.1 Ų44.17%0.07323%0.231CC..Hα-helixtrans-65.6-40.1-176.7179.3139.2000113.1M1903 I1904 A1905 V1911 L1932 Y1933 K1936 F1940M1903-L1907 VanDerWaalsContact O-CB 3.22Å; M1903-L1907 WeakPolarHBondContact O-CB 3.44Å; M1903-L1907 PolarHBondContact O-N 2.97Å; I1904-L1907 PolarHBondContact O-N 3.14Å; A1905-L1907 PolarHBondContact O-N 3.22Å; L1907-V1911 HydrophobicContact CG-CG2 4.29Å; L1907-V1911 WeakPolarHBondContact O-CB 3.22Å; L1907-V1911 WeakPolarHBondContact O-CG2 3.41Å; L1907-V1911 PolarHBondContact O-N 2.63Å; L1907-L1932 HydrophobicContact CD1-CD2 4.35Å; L1907-Y1933 HydrophobicContact CD2-CD2 3.38Å; L1907-Y1933 HydrophobicContact CD2-CE2 3.61Å; L1907-Y1933 HydrophobicContact CD2-CG 4.36Å; L1907-K1936 HydrophobicContact CD1-CB 3.7Å; L1907-K1936 HydrophobicContact CD1-CG 3.56Å; L1907-F1940 HydrophobicContact CB-CE2 4.34Å; L1907-F1940 HydrophobicContact CD1-CE2 4.08Å; L1907-F1940 HydrophobicContact CD1-CZ 4.45Å; L1907-F1940 HydrophobicContact CD2-CE2 4.29Å; L1907-F1940 HydrophobicContact CG-CE2 4.48Å
1908H86.9Confident86.5Confident13 Ų1347.5 Ų47.56%0.0625%0.248CC..Hα-helixtrans-67.5-42.9177.2-71.984000111.7I1904 A1905 F1906 F1912 Y1933I1904-H1908 PolarHBondContact O-N 3.21Å; I1904-H1908 VanDerWaalsContact O-N 3.17Å; I1904-H1908 PolarHBondContact O-ND1 3.24Å; A1905-H1908 PolarHBondContact O-N 3.37Å; F1906-H1908 PolarHBondContact O-N 3.17Å; H1908-F1912 HydrophobicContact CB-CD2 4.47Å; H1908-F1912 AromaticContact CD2-CE2 3.95Å; H1908-F1912 WeakPolarHBondContact O-CB 3.39Å; H1908-F1912 WeakPolarHBondContact O-CD2 3.4Å; H1908-F1912 PolarHBondContact O-N 2.86Å; H1908-F1912 VanDerWaalsContact O-N 3.12Å; H1908-Y1933 AromaticContact CD2-CE2 3.86Å; H1908-Y1933 AromaticContact NE2-CE2 3.75Å; H1908-Y1933 AromaticContact NE2-CZ 3.83Å; H1908-Y1933 PolarHBondContact NE2-OH 2.98Å; H1908-Y1933 VanDerWaalsContact NE2-OH 3.08Å
1909I86.7Confident86Confident94 Ų9443.1 Ų43.148%0.48223%0.226SC..Hα-helixtrans-63.7-45176-66.6167.1000110.4A1905 F1906 L1913 V1914A1905-I1909 WeakPolarHBondContact O-CG1 3.29Å; A1905-I1909 PolarHBondContact O-N 3.13Å; A1905-I1909 VanDerWaalsContact O-N 3.14Å; F1906-I1909 PolarHBondContact O-N 2.92Å; I1909-L1913 WeakPolarHBondContact O-CA 3.36Å; I1909-L1913 WeakPolarHBondContact O-CB 3.42Å; I1909-L1913 PolarHBondContact O-N 3.01Å; I1909-V1914 HydrophobicContact CG2-CG2 4.14Å; I1909-V1914 PolarHBondContact O-N 2.89Å
1910W86.2Confident85.3Confident42 Ų4249.6 Ų49.616%0.15925%0.25CC..Iπ-helixtrans-66.5-46.8-177.4-167.1-91.7000112.5V1872 M1873 F1906 V1914 L1915V1872-W1910 HydrophobicContact CG1-CH2 3.9Å; V1872-W1910 HydrophobicContact CG1-CZ2 4.27Å; M1873-W1910 HydrophobicContact CG-CZ2 4.09Å; M1873-W1910 PolarHBondContact SD-NE1 3.09Å; F1906-W1910 HydrophobicContact CE1-CB 4.41Å; F1906-W1910 HydrophobicContact CE1-CG 4.44Å; F1906-W1910 HydrophobicContact CE2-CD2 4.45Å; F1906-W1910 AromaticContact CE2-CE3 3.79Å; F1906-W1910 HydrophobicContact CE2-CE3 3.79Å; F1906-W1910 HydrophobicContact CE2-CZ3 4.34Å; F1906-W1910 HydrophobicContact CZ-CB 4.44Å; F1906-W1910 AromaticContact CZ-CD2 3.93Å; F1906-W1910 HydrophobicContact CZ-CD2 3.93Å; F1906-W1910 AromaticContact CZ-CE3 3.65Å; F1906-W1910 HydrophobicContact CZ-CE3 3.65Å; F1906-W1910 HydrophobicContact CZ-CG 4.28Å; F1906-W1910 HydrophobicContact CZ-CZ3 4.23Å; F1906-W1910 WeakPolarHBondContact O-CB 3.35Å; F1906-W1910 PolarHBondContact O-N 2.89Å; W1910-V1914 HydrophobicContact CD2-CB 4.44Å; W1910-V1914 HydrophobicContact CD2-CG1 4.42Å; W1910-V1914 HydrophobicContact CE3-CB 4.27Å; W1910-V1914 HydrophobicContact CE3-CG1 4.08Å; W1910-V1914 HydrophobicContact CE3-CG2 4.37Å; W1910-V1914 HydrophobicContact CH2-CG1 4.48Å; W1910-V1914 HydrophobicContact CZ3-CG1 4.11Å; W1910-L1915 VanDerWaalsContact O-CB 3.23Å; W1910-L1915 WeakPolarHBondContact O-CB 3.44Å; W1910-L1915 PolarHBondContact O-N 3.27Å
1911V84.5Confident84.6Confident7 Ų754.9 Ų54.94%0.04227%0.269CS..Iπ-helixtrans-77.3-36.9-174.8175.30000113L1907 P1916 Y1933L1907-V1911 HydrophobicContact CG-CG2 4.29Å; L1907-V1911 WeakPolarHBondContact O-CB 3.22Å; L1907-V1911 WeakPolarHBondContact O-CG2 3.41Å; L1907-V1911 PolarHBondContact O-N 2.63Å; V1911-P1916 WeakPolarHBondContact O-CD 3.32Å; V1911-P1916 WeakPolarHBondContact O-CG 3.43Å; V1911-Y1933 HydrophobicContact CB-CD2 4.5Å; V1911-Y1933 HydrophobicContact CG1-CD2 4.31Å
1912F83.5Confident83.9Confident30 Ų3053.7 Ų53.713%0.13226%0.264CS..Iπ-helixtrans-98.2-21.7-175.2-62.2-63.9000115Q1622 L1631 H1908 A1923 Y1933Q1622-F1912 HydrophobicContact CG-CE1 4.35Å; Q1622-F1912 HydrophobicContact CG-CE2 3.99Å; Q1622-F1912 HydrophobicContact CG-CZ 3.6Å; L1631-F1912 HydrophobicContact CD1-CD2 4.38Å; L1631-F1912 HydrophobicContact CD1-CE2 4.44Å; H1908-F1912 HydrophobicContact CB-CD2 4.47Å; H1908-F1912 AromaticContact CD2-CE2 3.95Å; H1908-F1912 WeakPolarHBondContact O-CB 3.39Å; H1908-F1912 WeakPolarHBondContact O-CD2 3.4Å; H1908-F1912 PolarHBondContact O-N 2.86Å; H1908-F1912 VanDerWaalsContact O-N 3.12Å; F1912-A1923 HydrophobicContact CD1-CB 4.04Å; F1912-A1923 HydrophobicContact CE1-CB 4.37Å; F1912-Y1933 AromaticContact CE2-CD2 3.94Å; F1912-Y1933 HydrophobicContact CE2-CD2 3.94Å; F1912-Y1933 AromaticContact CE2-CE2 3.39Å; F1912-Y1933 HydrophobicContact CE2-CE2 3.39Å; F1912-Y1933 AromaticContact CE2-CZ 3.89Å; F1912-Y1933 AromaticContact CZ-CD2 3.99Å; F1912-Y1933 HydrophobicContact CZ-CD2 3.99Å; F1912-Y1933 HydrophobicContact CZ-CE1 4.46Å; F1912-Y1933 AromaticContact CZ-CE2 3.7Å; F1912-Y1933 HydrophobicContact CZ-CE2 3.7Å; F1912-Y1933 AromaticContact CZ-CZ 3.94Å
1913L83.9Confident83.1Confident70 Ų7049 Ų4937%0.36624%0.242SC..Iπ-helixtrans-116.4-52.5-178.2-55.2174.9000112.7L1696 I1909 N1917L1696-L1913 HydrophobicContact CD1-CD2 4.1Å; I1909-L1913 WeakPolarHBondContact O-CA 3.36Å; I1909-L1913 WeakPolarHBondContact O-CB 3.42Å; I1909-L1913 PolarHBondContact O-N 3.01Å; L1913-N1917 WeakPolarHBondContact O-CB 3.42Å
1914V85.1Confident82.5Confident43 Ų4349.2 Ų49.226%0.26124%0.244SC..Iπ-helixtrans-73.2-53.8-174.1-176.80000111.6I1909 W1910 N1917 M1918I1909-V1914 HydrophobicContact CG2-CG2 4.14Å; I1909-V1914 PolarHBondContact O-N 2.89Å; W1910-V1914 HydrophobicContact CD2-CB 4.44Å; W1910-V1914 HydrophobicContact CD2-CG1 4.42Å; W1910-V1914 HydrophobicContact CE3-CB 4.27Å; W1910-V1914 HydrophobicContact CE3-CG1 4.08Å; W1910-V1914 HydrophobicContact CE3-CG2 4.37Å; W1910-V1914 HydrophobicContact CH2-CG1 4.48Å; W1910-V1914 HydrophobicContact CZ3-CG1 4.11Å; V1914-N1917 PolarHBondContact O-N 3.42Å; V1914-M1918 HydrophobicContact CG1-CG 4.17Å; V1914-M1918 HydrophobicContact CG1-SD 3.73Å; V1914-M1918 WeakPolarHBondContact O-CB 3.21Å; V1914-M1918 WeakPolarHBondContact O-CG 3.18Å; V1914-M1918 PolarHBondContact O-N 2.68Å
1915L82.7Confident81.9Confident6 Ų652.3 Ų52.33%0.03127%0.265CS..Hα-helixtrans-62.5-41.9-175.2-174.469.9000113.1F1849 W1910 M1918 T1919 A1929F1849-L1915 HydrophobicContact CD1-CD1 4.09Å; F1849-L1915 HydrophobicContact CD1-CD2 4.3Å; F1849-L1915 HydrophobicContact CE1-CD2 4.36Å; W1910-L1915 VanDerWaalsContact O-CB 3.23Å; W1910-L1915 WeakPolarHBondContact O-CB 3.44Å; W1910-L1915 PolarHBondContact O-N 3.27Å; L1915-M1918 PolarHBondContact O-N 3.09Å; L1915-T1919 HydrophobicContact CD1-CG2 3.71Å; L1915-T1919 HydrophobicContact CG-CG2 4.29Å; L1915-T1919 WeakPolarHBondContact O-CB 3.41Å; L1915-T1919 WeakPolarHBondContact O-CG2 3.47Å; L1915-T1919 PolarHBondContact O-N 3.44Å; L1915-T1919 PolarHBondContact O-OG1 3.04Å; L1915-A1929 HydrophobicContact CD2-CB 3.69Å
1916P81.5Confident81.6Confident6 Ų650.5 Ų50.54%0.03925%0.249CC..Hα-helixtrans-67.2-36.3177.7-24.338.2000113.1P1690 V1911 R1920 R1921 A1923P1690-P1916 HydrophobicContact CB-CB 4.11Å; V1911-P1916 WeakPolarHBondContact O-CD 3.32Å; V1911-P1916 WeakPolarHBondContact O-CG 3.43Å; P1916-R1920 VanDerWaalsContact O-CA 3.3Å; P1916-R1920 WeakPolarHBondContact O-CA 3.34Å; P1916-R1920 PolarHBondContact O-N 3.25Å; P1916-R1921 VanDerWaalsContact CA-O 3.28Å; P1916-R1921 WeakPolarHBondContact CA-O 3.41Å; P1916-R1921 WeakPolarHBondContact CB-O 3.45Å; P1916-A1923 HydrophobicContact CG-CB 4.15Å
1917N82.9Confident81.4Confident78 Ų7851.9 Ų51.942%0.41726%0.256SS..Hα-helixtrans-66.6-46.2174.9-17227.7000111.4L1913 V1914L1913-N1917 WeakPolarHBondContact O-CB 3.42Å; V1914-N1917 PolarHBondContact O-N 3.42Å
1918M81.6Confident81.4Confident99 Ų9952.8 Ų52.849%0.48826%0.262SS..Hα-helixtrans-72-26.2-179.4-71-169.876.400114.9T1869 V1914 L1915T1869-M1918 HydrophobicContact CG2-CB 4.47Å; T1869-M1918 HydrophobicContact CG2-CE 3.78Å; T1869-M1918 HydrophobicContact CG2-SD 4.07Å; V1914-M1918 HydrophobicContact CG1-CG 4.17Å; V1914-M1918 HydrophobicContact CG1-SD 3.73Å; V1914-M1918 WeakPolarHBondContact O-CB 3.21Å; V1914-M1918 WeakPolarHBondContact O-CG 3.18Å; V1914-M1918 PolarHBondContact O-N 2.68Å; L1915-M1918 PolarHBondContact O-N 3.09Å
1919T78.1Confident81.2Confident8 Ų852.2 Ų52.25%0.04926%0.26CS..Hα-helixtrans-105.9-4.4-178.460.80000113.9F1849 L1915 R1921F1849-T1919 WeakPolarHBondContact O-CG2 3.21Å; L1915-T1919 HydrophobicContact CD1-CG2 3.71Å; L1915-T1919 HydrophobicContact CG-CG2 4.29Å; L1915-T1919 WeakPolarHBondContact O-CB 3.41Å; L1915-T1919 WeakPolarHBondContact O-CG2 3.47Å; L1915-T1919 PolarHBondContact O-N 3.44Å; L1915-T1919 PolarHBondContact O-OG1 3.04Å; T1919-R1921 PolarHBondContact O-N 3.31Å
1920R77.5Confident81.2Confident153 Ų15349 Ų4958%0.57724%0.243SC*.SBendtrans51.617.6-170-58.9-61.2-173.6165.1-1.1114.8P1916P1916-R1920 VanDerWaalsContact O-CA 3.3Å; P1916-R1920 WeakPolarHBondContact O-CA 3.34Å; P1916-R1920 PolarHBondContact O-N 3.25Å
1921R75Confident81.2Confident114 Ų11448.6 Ų48.643%0.4325%0.249SC..SBendtrans-113.4128178.4-70.8176.6178.8-175.7-1.1109.7P1916 T1919P1916-R1921 VanDerWaalsContact CA-O 3.28Å; P1916-R1921 WeakPolarHBondContact CA-O 3.41Å; P1916-R1921 WeakPolarHBondContact CB-O 3.45Å; T1919-R1921 PolarHBondContact O-N 3.31Å
1922S73.7Confident81.4Confident41 Ų4149 Ų4929%0.28725%0.251SS..  trans-57.1145.2174.873.70000111.2I1924 S1925 N1926S1922-I1924 PolarHBondContact O-N 3.16Å; S1922-I1924 VanDerWaalsContact O-N 3.07Å; S1922-S1925 PolarHBondContact N-OG 2.74Å; S1922-S1925 PolarHBondContact O-N 3.17Å; S1922-S1925 PolarHBondContact O-OG 3.49Å; S1922-S1925 PolarHBondContact OG-N 3.04Å; S1922-S1925 PolarHBondContact OG-OG 3.17Å; S1922-S1925 VanDerWaalsContact OG-OG 3.09Å; S1922-N1926 PolarHBondContact O-N 2.82Å
1923A73.9Confident81.7Confident16 Ų1647.7 Ų47.713%0.13225%0.245CC..G310 helixtrans-56.2-28175.900000112.5F1912 P1916 S1925 N1926 Q1930F1912-A1923 HydrophobicContact CD1-CB 4.04Å; F1912-A1923 HydrophobicContact CE1-CB 4.37Å; P1916-A1923 HydrophobicContact CG-CB 4.15Å; A1923-S1925 VanDerWaalsContact C-N 3.29Å; A1923-S1925 PolarHBondContact O-N 2.7Å; A1923-N1926 PolarHBondContact O-N 2.97Å; A1923-Q1930 PolarHBondContact O-NE2 2.9Å
1924I76.9Confident81.9Confident43 Ų4345.7 Ų45.722%0.22124%0.236CC..G310 helixtrans-72.2-21.3178.4-50.8168.7000112T1625 S1922 Q1930T1625-I1924 WeakPolarHBondContact O-CD1 3.38Å; S1922-I1924 PolarHBondContact O-N 3.16Å; S1922-I1924 VanDerWaalsContact O-N 3.07Å; I1924-Q1930 VanDerWaalsContact CA-NE2 3.33Å; I1924-Q1930 PolarHBondContact O-NE2 2.82Å
1925S77.6Confident82.2Confident64 Ų6445.6 Ų45.645%0.44823%0.233SC..G310 helixtrans-93.1-6.9173.158.50000114.7S1922 A1923S1922-S1925 PolarHBondContact N-OG 2.74Å; S1922-S1925 PolarHBondContact O-N 3.17Å; S1922-S1925 PolarHBondContact O-OG 3.49Å; S1922-S1925 PolarHBondContact OG-N 3.04Å; S1922-S1925 PolarHBondContact OG-OG 3.17Å; S1922-S1925 VanDerWaalsContact OG-OG 3.09Å; A1923-S1925 VanDerWaalsContact C-N 3.29Å; A1923-S1925 PolarHBondContact O-N 2.7Å
1926N81.2Confident82.6Confident8 Ų845.4 Ų45.44%0.04323%0.232CC..  trans-106.585.4-175.1-167.2-27.2000112A1848 S1922 A1923 V1928 A1929 Q1930A1848-N1926 PolarHBondContact O-ND2 3.26Å; S1922-N1926 PolarHBondContact O-N 2.82Å; A1923-N1926 PolarHBondContact O-N 2.97Å; N1926-V1928 PolarHBondContact O-N 3.11Å; N1926-V1928 PolarHBondContact OD1-N 3.16Å; N1926-A1929 HydrophobicContact CB-CB 3.97Å; N1926-A1929 PolarHBondContact O-N 3.17Å; N1926-A1929 VanDerWaalsContact O-N 3.13Å; N1926-A1929 PolarHBondContact OD1-N 2.78Å; N1926-A1929 VanDerWaalsContact OD1-N 3.1Å; N1926-Q1930 VanDerWaalsContact O-CG 3.32Å; N1926-Q1930 WeakPolarHBondContact O-CG 3.37Å; N1926-Q1930 PolarHBondContact O-N 3.4Å
1927H84.1Confident83Confident140 Ų14045.1 Ų45.165%0.64823%0.231SC*.Hα-helixtrans-59.9-27.5-178.1-61.3-46.4000114.6Q1930 A1931H1927-Q1930 PolarHBondContact ND1-OE1 3.38Å; H1927-A1931 WeakPolarHBondContact O-CB 3.37Å; H1927-A1931 PolarHBondContact O-N 2.95Å
1928V85.6Confident83.3Confident33 Ų3343.6 Ų43.620%0.223%0.225CC..Hα-helixtrans-71.3-45.1175.6-179.80000110.4I1841 A1848 F1849 N1926 Q1930 A1931 L1932I1841-V1928 HydrophobicContact CG2-CG1 4.16Å; A1848-V1928 HydrophobicContact CB-CB 3.71Å; A1848-V1928 HydrophobicContact CB-CG1 4.4Å; A1848-V1928 HydrophobicContact CB-CG2 3.5Å; A1848-V1928 VanDerWaalsContact CB-CG2 3.5Å; F1849-V1928 HydrophobicContact CE2-CG1 3.56Å; F1849-V1928 HydrophobicContact CZ-CG1 3.63Å; N1926-V1928 PolarHBondContact O-N 3.11Å; N1926-V1928 PolarHBondContact OD1-N 3.16Å; V1928-Q1930 VanDerWaalsContact C-N 3.3Å; V1928-Q1930 PolarHBondContact O-N 3.19Å; V1928-A1931 PolarHBondContact O-N 3.43Å; V1928-L1932 WeakPolarHBondContact O-CB 3.38Å; V1928-L1932 PolarHBondContact O-N 3.1Å
1929A82.8Confident83.8Confident2 Ų238.9 Ų38.92%0.01720%0.202CC..Hα-helixtrans-63.2-36.4174.400000112.1L1915 N1926 Y1933L1915-A1929 HydrophobicContact CD2-CB 3.69Å; N1926-A1929 HydrophobicContact CB-CB 3.97Å; N1926-A1929 PolarHBondContact O-N 3.17Å; N1926-A1929 VanDerWaalsContact O-N 3.13Å; N1926-A1929 PolarHBondContact OD1-N 2.78Å; N1926-A1929 VanDerWaalsContact OD1-N 3.1Å; A1929-Y1933 WeakPolarHBondContact O-CB 3.49Å; A1929-Y1933 PolarHBondContact O-N 3.08Å
1930Q86.2Confident84.4Confident25 Ų2538.5 Ų38.512%0.11720%0.2CC..Hα-helixtrans-62.4-50.9173.2-67.7164.210.100111.7V1623 A1923 I1924 N1926 H1927 V1928 L1932 Y1933 V1934V1623-Q1930 HydrophobicContact CG1-CB 3.82Å; V1623-Q1930 HydrophobicContact CG1-CG 3.89Å; A1923-Q1930 PolarHBondContact O-NE2 2.9Å; I1924-Q1930 VanDerWaalsContact CA-NE2 3.33Å; I1924-Q1930 PolarHBondContact O-NE2 2.82Å; N1926-Q1930 VanDerWaalsContact O-CG 3.32Å; N1926-Q1930 WeakPolarHBondContact O-CG 3.37Å; N1926-Q1930 PolarHBondContact O-N 3.4Å; H1927-Q1930 PolarHBondContact ND1-OE1 3.38Å; V1928-Q1930 VanDerWaalsContact C-N 3.3Å; V1928-Q1930 PolarHBondContact O-N 3.19Å; Q1930-L1932 VanDerWaalsContact C-N 3.31Å; Q1930-L1932 PolarHBondContact O-N 2.62Å; Q1930-Y1933 PolarHBondContact O-N 3.28Å; Q1930-V1934 WeakPolarHBondContact O-CG2 3.4Å; Q1930-V1934 PolarHBondContact O-N 3.46Å
1931A86.5Confident84.9Confident35 Ų3532.4 Ų32.429%0.28918%0.178SC..Hα-helixtrans-59.6-42.7178.300000111.7I1841 H1927 V1928 V1934 I1935I1841-A1931 HydrophobicContact CD1-CB 4.33Å; I1841-A1931 HydrophobicContact CG2-CB 4.49Å; H1927-A1931 WeakPolarHBondContact O-CB 3.37Å; H1927-A1931 PolarHBondContact O-N 2.95Å; V1928-A1931 PolarHBondContact O-N 3.43Å; A1931-V1934 PolarHBondContact O-N 3.3Å; A1931-I1935 WeakPolarHBondContact O-CB 3.49Å; A1931-I1935 WeakPolarHBondContact O-CD1 3.49Å; A1931-I1935 VanDerWaalsContact O-CG1 3.25Å; A1931-I1935 WeakPolarHBondContact O-CG1 3.46Å; A1931-I1935 PolarHBondContact O-N 2.99Å
1932L88.6Confident85.6Confident15 Ų1528 Ų288%0.07917%0.165CC..Hα-helixtrans-61.1-47.9174.9-173.2156.6000111.7I1841 M1842 F1849 M1873 L1907 V1928 Q1930 V1934 I1935 K1936I1841-L1932 HydrophobicContact CG2-CB 4.37Å; M1842-L1932 HydrophobicContact CG-CD1 3.47Å; M1842-L1932 VanDerWaalsContact CG-CD1 3.47Å; M1842-L1932 HydrophobicContact SD-CD1 3.98Å; F1849-L1932 HydrophobicContact CZ-CD1 4.14Å; M1873-L1932 HydrophobicContact CE-CD1 3.59Å; L1907-L1932 HydrophobicContact CD1-CD2 4.35Å; V1928-L1932 WeakPolarHBondContact O-CB 3.38Å; V1928-L1932 PolarHBondContact O-N 3.1Å; Q1930-L1932 VanDerWaalsContact C-N 3.31Å; Q1930-L1932 PolarHBondContact O-N 2.62Å; L1932-V1934 PolarHBondContact O-N 3.33Å; L1932-I1935 PolarHBondContact O-N 3.32Å; L1932-K1936 VanDerWaalsContact O-CB 3.3Å; L1932-K1936 WeakPolarHBondContact O-CB 3.42Å; L1932-K1936 PolarHBondContact O-N 2.94Å
1933Y89.5Confident86.3Confident2 Ų226.1 Ų26.11%0.00815%0.151CC..Hα-helixtrans-60-44.2177.4176.8-84000111.9I1619 V1623 L1907 H1908 V1911 F1912 A1929 Q1930 S1937I1619-Y1933 HydrophobicContact CG2-CD1 4.45Å; I1619-Y1933 HydrophobicContact CG2-CE1 3.97Å; V1623-Y1933 HydrophobicContact CG2-CD1 3.32Å; V1623-Y1933 HydrophobicContact CG2-CE1 3.61Å; V1623-Y1933 HydrophobicContact CG2-CG 4.38Å; L1907-Y1933 HydrophobicContact CD2-CD2 3.38Å; L1907-Y1933 HydrophobicContact CD2-CE2 3.61Å; L1907-Y1933 HydrophobicContact CD2-CG 4.36Å; H1908-Y1933 AromaticContact CD2-CE2 3.86Å; H1908-Y1933 AromaticContact NE2-CE2 3.75Å; H1908-Y1933 AromaticContact NE2-CZ 3.83Å; H1908-Y1933 PolarHBondContact NE2-OH 2.98Å; H1908-Y1933 VanDerWaalsContact NE2-OH 3.08Å; V1911-Y1933 HydrophobicContact CB-CD2 4.5Å; V1911-Y1933 HydrophobicContact CG1-CD2 4.31Å; F1912-Y1933 AromaticContact CE2-CD2 3.94Å; F1912-Y1933 HydrophobicContact CE2-CD2 3.94Å; F1912-Y1933 AromaticContact CE2-CE2 3.39Å; F1912-Y1933 HydrophobicContact CE2-CE2 3.39Å; F1912-Y1933 AromaticContact CE2-CZ 3.89Å; F1912-Y1933 AromaticContact CZ-CD2 3.99Å; F1912-Y1933 HydrophobicContact CZ-CD2 3.99Å; F1912-Y1933 HydrophobicContact CZ-CE1 4.46Å; F1912-Y1933 AromaticContact CZ-CE2 3.7Å; F1912-Y1933 HydrophobicContact CZ-CE2 3.7Å; F1912-Y1933 AromaticContact CZ-CZ 3.94Å; A1929-Y1933 WeakPolarHBondContact O-CB 3.49Å; A1929-Y1933 PolarHBondContact O-N 3.08Å; Q1930-Y1933 PolarHBondContact O-N 3.28Å; Y1933-S1937 WeakPolarHBondContact O-CB 3.5Å; Y1933-S1937 PolarHBondContact O-N 3.29Å; Y1933-S1937 PolarHBondContact O-OG 3.12Å
1934V89.8Confident87Confident28 Ų2825.3 Ų25.317%0.1715%0.145CC..Hα-helixtrans-61.8-51.6177.5170.50000111.1M1620 V1623 Q1930 A1931 L1932 S1937 C1938M1620-V1934 HydrophobicContact CE-CB 4.28Å; M1620-V1934 HydrophobicContact CE-CG1 3.75Å; M1620-V1934 HydrophobicContact CE-CG2 3.49Å; M1620-V1934 VanDerWaalsContact CE-CG2 3.49Å; V1623-V1934 HydrophobicContact CG1-CG2 4.31Å; V1623-V1934 HydrophobicContact CG2-CG2 3.7Å; Q1930-V1934 WeakPolarHBondContact O-CG2 3.4Å; Q1930-V1934 PolarHBondContact O-N 3.46Å; A1931-V1934 PolarHBondContact O-N 3.3Å; L1932-V1934 PolarHBondContact O-N 3.33Å; V1934-S1937 WeakPolarHBondContact O-CB 3.47Å; V1934-S1937 PolarHBondContact O-N 2.91Å; V1934-C1938 PolarHBondContact O-N 3.21Å; V1934-C1938 PolarHBondContact O-SG 2.85Å
1935I91.2Very high87.4Confident41 Ų4126.9 Ų26.921%0.2115%0.148CC..Hα-helixtrans-70.2-38.4-173.6-66167.6000110.6I1834 I1837 I1841 A1931 L1932 S1937 C1938 Y1939I1834-I1935 HydrophobicContact CG2-CG2 3.63Å; I1834-I1935 VanDerWaalsContact CG2-O 3.26Å; I1834-I1935 WeakPolarHBondContact CG2-O 3.09Å; I1837-I1935 HydrophobicContact CG2-CD1 4.09Å; I1837-I1935 HydrophobicContact CG2-CG2 4.08Å; I1841-I1935 HydrophobicContact CD1-CD1 3.7Å; I1841-I1935 HydrophobicContact CG1-CD1 4.18Å; A1931-I1935 WeakPolarHBondContact O-CB 3.49Å; A1931-I1935 WeakPolarHBondContact O-CD1 3.49Å; A1931-I1935 VanDerWaalsContact O-CG1 3.25Å; A1931-I1935 WeakPolarHBondContact O-CG1 3.46Å; A1931-I1935 PolarHBondContact O-N 2.99Å; L1932-I1935 PolarHBondContact O-N 3.32Å; I1935-S1937 VanDerWaalsContact C-N 3.34Å; I1935-C1938 WeakPolarHBondContact O-CB 3.27Å; I1935-C1938 PolarHBondContact O-N 3.32Å; I1935-Y1939 PolarHBondContact O-N 2.88Å
1936K90.8Very high87.9Confident3 Ų323.9 Ų23.91%0.01313%0.127CC..Hα-helixtrans-72.1-26.2172.6-160.973-176.3-173.80112.5D1835 L1907 L1932 Y1939 F1940D1835-K1936 WeakPolarHBondContact OD1-CD 3.44Å; D1835-K1936 IonicContact OD1-NZ 2.71Å; D1835-K1936 PolarHBondContact OD1-NZ 3.08Å; D1835-K1936 IonicContact OD2-NZ 3.69Å; D1835-K1936 PolarHBondContact OD2-NZ 2.9Å; L1907-K1936 HydrophobicContact CD1-CB 3.7Å; L1907-K1936 HydrophobicContact CD1-CG 3.56Å; L1932-K1936 VanDerWaalsContact O-CB 3.3Å; L1932-K1936 WeakPolarHBondContact O-CB 3.42Å; L1932-K1936 PolarHBondContact O-N 2.94Å; K1936-Y1939 HydrophobicContact CD-CD1 4.07Å; K1936-Y1939 HydrophobicContact CD-CG 4.14Å; K1936-Y1939 WeakPolarHBondContact O-CB 3.22Å; K1936-Y1939 PolarHBondContact O-N 3.37Å; K1936-F1940 HydrophobicContact CG-CE2 4.03Å; K1936-F1940 HydrophobicContact CG-CZ 4Å; K1936-F1940 WeakPolarHBondContact O-CD2 3.3Å; K1936-F1940 WeakPolarHBondContact O-CG 3.47Å; K1936-F1940 PolarHBondContact O-N 3.41Å
1937S89.8Confident88.1Confident0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-67.7-37.3167.6-61.70000112Y1933 V1934 I1935 Y1939 F1940 L1941Y1933-S1937 WeakPolarHBondContact O-CB 3.5Å; Y1933-S1937 PolarHBondContact O-N 3.29Å; Y1933-S1937 PolarHBondContact O-OG 3.12Å; V1934-S1937 WeakPolarHBondContact O-CB 3.47Å; V1934-S1937 PolarHBondContact O-N 2.91Å; I1935-S1937 VanDerWaalsContact C-N 3.34Å; S1937-Y1939 VanDerWaalsContact C-N 3.35Å; S1937-F1940 PolarHBondContact O-N 3.14Å; S1937-L1941 PolarHBondContact O-N 3.41Å
1938C89.2Confident88Confident46 Ų4619.7 Ų19.731%0.31111%0.105SC..Hα-helixtrans-62.7-40.4169.1-66.90000111.7V1934 I1935 F1940 L1941 V1942V1934-C1938 PolarHBondContact O-N 3.21Å; V1934-C1938 PolarHBondContact O-SG 2.85Å; I1935-C1938 WeakPolarHBondContact O-CB 3.27Å; I1935-C1938 PolarHBondContact O-N 3.32Å; C1938-F1940 VanDerWaalsContact C-N 3.34Å; C1938-F1940 PolarHBondContact O-N 3.04Å; C1938-L1941 PolarHBondContact O-N 3.43Å; C1938-V1942 WeakPolarHBondContact O-CG2 3.38Å; C1938-V1942 PolarHBondContact O-N 3.47Å
1939Y91.9Very high87.7Confident0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-56.9-45.3169.6169.1-83.4000111.6M1831 D1835 D1884 K1896 Y1899 I1935 K1936 S1937 L1941 V1942 S1943M1831-Y1939 HydrophobicContact CB-CD2 4.14Å; M1831-Y1939 HydrophobicContact CB-CE2 3.93Å; M1831-Y1939 HydrophobicContact CE-CD2 4.46Å; M1831-Y1939 HydrophobicContact CE-CE1 4.49Å; M1831-Y1939 HydrophobicContact CE-CE2 3.76Å; D1835-Y1939 VanDerWaalsContact OD1-CD2 3.28Å; D1835-Y1939 WeakPolarHBondContact OD1-CD2 3.33Å; D1835-Y1939 WeakPolarHBondContact OD2-CE2 3.48Å; D1884-Y1939 WeakPolarHBondContact OD2-CE2 3.38Å; D1884-Y1939 PolarHBondContact OD2-OH 3.22Å; K1896-Y1939 PolarHBondContact NZ-OH 3.33Å; Y1899-Y1939 HydrophobicContact CE1-CE1 4.28Å; Y1899-Y1939 VanDerWaalsContact CE1-OH 3.29Å; Y1899-Y1939 WeakPolarHBondContact CE1-OH 3.24Å; Y1899-Y1939 PolarHBondContact OH-OH 3.25Å; I1935-Y1939 PolarHBondContact O-N 2.88Å; K1936-Y1939 HydrophobicContact CD-CD1 4.07Å; K1936-Y1939 HydrophobicContact CD-CG 4.14Å; K1936-Y1939 WeakPolarHBondContact O-CB 3.22Å; K1936-Y1939 PolarHBondContact O-N 3.37Å; S1937-Y1939 VanDerWaalsContact C-N 3.35Å; Y1939-L1941 VanDerWaalsContact C-N 3.33Å; Y1939-L1941 PolarHBondContact O-N 3.28Å; Y1939-V1942 PolarHBondContact O-N 3.38Å; Y1939-S1943 WeakPolarHBondContact O-CB 3.45Å; Y1939-S1943 PolarHBondContact O-N 3.48Å
1940F91.1Very high87.4Confident0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-66.4-31.2177.4-63.4-45.2000113.4L1638 Q1900 M1903 I1904 L1907 K1936 S1937 C1938 A1944L1638-F1940 HydrophobicContact CD2-CB 3.88Å; Q1900-F1940 HydrophobicContact CG-CD1 4.43Å; Q1900-F1940 PolarHBondContact NE2-O 3.05Å; M1903-F1940 HydrophobicContact CB-CE1 3.68Å; M1903-F1940 HydrophobicContact CB-CZ 3.85Å; I1904-F1940 HydrophobicContact CD1-CB 4.31Å; I1904-F1940 HydrophobicContact CD1-CD1 4.37Å; I1904-F1940 HydrophobicContact CD1-CG 4.17Å; I1904-F1940 HydrophobicContact CG1-CB 4.33Å; I1904-F1940 HydrophobicContact CG1-CD1 3.81Å; I1904-F1940 HydrophobicContact CG1-CD2 3.67Å; I1904-F1940 HydrophobicContact CG1-CE1 3.97Å; I1904-F1940 HydrophobicContact CG1-CE2 3.81Å; I1904-F1940 HydrophobicContact CG1-CG 3.68Å; I1904-F1940 HydrophobicContact CG1-CZ 3.97Å; L1907-F1940 HydrophobicContact CB-CE2 4.34Å; L1907-F1940 HydrophobicContact CD1-CE2 4.08Å; L1907-F1940 HydrophobicContact CD1-CZ 4.45Å; L1907-F1940 HydrophobicContact CD2-CE2 4.29Å; L1907-F1940 HydrophobicContact CG-CE2 4.48Å; K1936-F1940 HydrophobicContact CG-CE2 4.03Å; K1936-F1940 HydrophobicContact CG-CZ 4Å; K1936-F1940 WeakPolarHBondContact O-CD2 3.3Å; K1936-F1940 WeakPolarHBondContact O-CG 3.47Å; K1936-F1940 PolarHBondContact O-N 3.41Å; S1937-F1940 PolarHBondContact O-N 3.14Å; C1938-F1940 VanDerWaalsContact C-N 3.34Å; C1938-F1940 PolarHBondContact O-N 3.04Å; F1940-A1944 VanDerWaalsContact O-CB 3.32Å; F1940-A1944 WeakPolarHBondContact O-CB 3.29Å; F1940-A1944 PolarHBondContact O-N 3.14Å
1941L88.4Confident87Confident24 Ų2418 Ų1813%0.1269%0.094CC..Hα-helixtrans-68.4-44.1171.6-72.6172.5000112Y1615 I1619 L1638 N1642 S1937 C1938 Y1939 A1944 W1945Y1615-L1941 HydrophobicContact CD2-CD2 4.27Å; I1619-L1941 HydrophobicContact CD1-CD1 3.8Å; I1619-L1941 HydrophobicContact CD1-CG 4.44Å; L1638-L1941 HydrophobicContact CD2-CD2 3.88Å; L1638-L1941 HydrophobicContact CD2-CG 4.01Å; N1642-L1941 HydrophobicContact CB-CD2 4.15Å; N1642-L1941 PolarHBondContact ND2-O 3.42Å; S1937-L1941 PolarHBondContact O-N 3.41Å; C1938-L1941 PolarHBondContact O-N 3.43Å; Y1939-L1941 VanDerWaalsContact C-N 3.33Å; Y1939-L1941 PolarHBondContact O-N 3.28Å; L1941-A1944 PolarHBondContact O-N 3.2Å; L1941-W1945 PolarHBondContact O-N 3.49Å
1942V88.4Confident86.4Confident23 Ų2316.6 Ų16.614%0.1398%0.082CC..Hα-helixtrans-67-38.8175.2-179.70000110.9L1827 I1830 M1831 I1834 C1938 Y1939 W1945 Q1946L1827-V1942 HydrophobicContact CB-CG1 3.73Å; L1827-V1942 HydrophobicContact CD1-CG1 4.16Å; L1827-V1942 HydrophobicContact CG-CG1 4.43Å; I1830-V1942 HydrophobicContact CB-CG1 4.42Å; I1830-V1942 HydrophobicContact CG2-CG1 4.26Å; I1830-V1942 HydrophobicContact CG2-CG2 4.36Å; M1831-V1942 HydrophobicContact CG-CB 4.16Å; M1831-V1942 HydrophobicContact CG-CG1 3.5Å; M1831-V1942 HydrophobicContact SD-CG1 4.32Å; I1834-V1942 HydrophobicContact CD1-CG2 3.97Å; C1938-V1942 WeakPolarHBondContact O-CG2 3.38Å; C1938-V1942 PolarHBondContact O-N 3.47Å; Y1939-V1942 PolarHBondContact O-N 3.38Å; V1942-W1945 WeakPolarHBondContact O-CB 3.47Å; V1942-W1945 PolarHBondContact O-N 3.39Å; V1942-Q1946 PolarHBondContact O-N 3.22Å
1943S89.6Confident85.4Confident0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-63.3-44.6175.3-175.80000112.4K1896 Q1900 Y1939 W1945 Q1946 I1947K1896-S1943 WeakPolarHBondContact CE-OG 3.45Å; Q1900-S1943 VanDerWaalsContact OE1-C 3.28Å; Q1900-S1943 PolarHBondContact OE1-OG 2.9Å; Y1939-S1943 WeakPolarHBondContact O-CB 3.45Å; Y1939-S1943 PolarHBondContact O-N 3.48Å; S1943-W1945 VanDerWaalsContact C-N 3.31Å; S1943-W1945 PolarHBondContact O-N 3.34Å; S1943-Q1946 WeakPolarHBondContact O-CB 3.36Å; S1943-Q1946 PolarHBondContact O-N 3.36Å; S1943-I1947 WeakPolarHBondContact O-CG1 3.44Å; S1943-I1947 PolarHBondContact O-N 3.29Å
1944A87.5Confident84.2Confident0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-63.7-36.8174.500000111.9N1642 L1643 F1940 L1941 I1947 R1948N1642-A1944 HydrophobicContact CB-CB 4.2Å; N1642-A1944 WeakPolarHBondContact ND2-CB 3.43Å; L1643-A1944 HydrophobicContact CD2-CB 3.79Å; L1643-A1944 HydrophobicContact CG-CB 4.12Å; F1940-A1944 VanDerWaalsContact O-CB 3.32Å; F1940-A1944 WeakPolarHBondContact O-CB 3.29Å; F1940-A1944 PolarHBondContact O-N 3.14Å; L1941-A1944 PolarHBondContact O-N 3.2Å; A1944-I1947 PolarHBondContact O-N 3.17Å; A1944-R1948 WeakPolarHBondContact O-CB 3.46Å; A1944-R1948 PolarHBondContact O-N 3.46Å
1945W86.3Confident83Confident76 Ų7624.7 Ų24.729%0.28812%0.122SC..Hα-helixtrans-65.5-40.4173.1-171.913.4000111.4L1827 L1941 V1942 S1943 R1948 N1949L1827-W1945 HydrophobicContact CD1-CB 3.9Å; L1827-W1945 HydrophobicContact CD1-CD2 3.56Å; L1827-W1945 HydrophobicContact CD1-CE3 3.62Å; L1827-W1945 HydrophobicContact CD1-CG 3.69Å; L1827-W1945 HydrophobicContact CD1-CZ3 4.35Å; L1827-W1945 HydrophobicContact CD2-CE3 4.11Å; L1827-W1945 HydrophobicContact CD2-CH2 4.39Å; L1827-W1945 HydrophobicContact CD2-CZ3 4.01Å; L1941-W1945 PolarHBondContact O-N 3.49Å; V1942-W1945 WeakPolarHBondContact O-CB 3.47Å; V1942-W1945 PolarHBondContact O-N 3.39Å; S1943-W1945 VanDerWaalsContact C-N 3.31Å; S1943-W1945 PolarHBondContact O-N 3.34Å; W1945-R1948 VanDerWaalsContact CD1-NH2 3.26Å; W1945-R1948 PolarHBondContact O-N 3.31Å; W1945-N1949 PolarHBondContact NE1-ND2 3.13Å; W1945-N1949 VanDerWaalsContact NE1-ND2 3.15Å; W1945-N1949 PolarHBondContact NE1-OD1 3.48Å; W1945-N1949 WeakPolarHBondContact O-CB 3.48Å; W1945-N1949 PolarHBondContact O-N 3.34Å; W1945-N1949 PolarHBondContact O-ND2 2.99Å; W1945-N1949 PolarHBondContact O-OD1 3.42Å
1946Q87.4Confident81.4Confident0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-63.4-40.5174.6-169.958.739.100112.2R1825 L1827 M1831 V1942 S1943 G1950 Y1951R1825-Q1946 PolarHBondContact O-NE2 2.83Å; R1825-Q1946 PolarHBondContact O-OE1 2.95Å; R1825-Q1946 VanDerWaalsContact O-OE1 3.12Å; L1827-Q1946 HydrophobicContact CD1-CB 4.3Å; L1827-Q1946 VanDerWaalsContact CG-OE1 3.29Å; M1831-Q1946 HydrophobicContact SD-CB 4.09Å; M1831-Q1946 HydrophobicContact SD-CG 4.41Å; V1942-Q1946 PolarHBondContact O-N 3.22Å; S1943-Q1946 WeakPolarHBondContact O-CB 3.36Å; S1943-Q1946 PolarHBondContact O-N 3.36Å; Q1946-G1950 PolarHBondContact NE2-O 2.92Å; Q1946-G1950 WeakPolarHBondContact O-CA 3.41Å; Q1946-G1950 PolarHBondContact O-N 3.32Å; Q1946-Y1951 HydrophobicContact CG-CD1 4.15Å; Q1946-Y1951 HydrophobicContact CG-CE1 3.66Å
1947I86.4Confident80Confident7 Ų726.9 Ų26.94%0.03614%0.144CC..Hα-helixtrans-64.2-45.3174.8-67.1167.3000110.7L1643 L1816 V1893 K1896 L1897 Q1900 S1943 A1944 N1949 G1950L1643-I1947 HydrophobicContact CD2-CB 4.19Å; L1643-I1947 HydrophobicContact CD2-CG2 4.03Å; L1816-I1947 HydrophobicContact CD1-CG2 4.28Å; L1816-I1947 HydrophobicContact CD2-CG2 4.28Å; L1816-I1947 HydrophobicContact CG-CG2 4.49Å; V1893-I1947 HydrophobicContact CG1-CG2 4.06Å; K1896-I1947 HydrophobicContact CB-CG1 4.41Å; K1896-I1947 HydrophobicContact CG-CD1 4.16Å; K1896-I1947 HydrophobicContact CG-CG1 3.94Å; L1897-I1947 HydrophobicContact CB-CD1 4.32Å; L1897-I1947 HydrophobicContact CD1-CD1 4.21Å; Q1900-I1947 HydrophobicContact CB-CD1 4.21Å; Q1900-I1947 VanDerWaalsContact OE1-CD1 3.28Å; S1943-I1947 WeakPolarHBondContact O-CG1 3.44Å; S1943-I1947 PolarHBondContact O-N 3.29Å; A1944-I1947 PolarHBondContact O-N 3.17Å; I1947-N1949 VanDerWaalsContact C-N 3.3Å; I1947-N1949 PolarHBondContact O-N 3.26Å; I1947-G1950 PolarHBondContact O-N 3.43Å
1948R81Confident78.7Confident53 Ų5328.2 Ų28.220%0.215%0.151CC..Hα-helixtrans-62.3-34.4179.7-172.6-179.868.4-153.74.8113.3N1642 S1644 N1645 A1944 W1945N1642-R1948 PolarHBondContact O-NH1 3.24Å; N1642-R1948 PolarHBondContact OD1-NH1 3.34Å; N1642-R1948 VanDerWaalsContact OD1-NH1 3.16Å; S1644-R1948 WeakPolarHBondContact O-CD 3.5Å; N1645-R1948 HydrophobicContact CB-CG 3.98Å; A1944-R1948 WeakPolarHBondContact O-CB 3.46Å; A1944-R1948 PolarHBondContact O-N 3.46Å; W1945-R1948 VanDerWaalsContact CD1-NH2 3.26Å; W1945-R1948 PolarHBondContact O-N 3.31Å
1949N78.8Confident77.5Confident7 Ų731 Ų314%0.03716%0.163CC..Hα-helixtrans-81.7-44.5177.7-61.5-11.1000111.4R1822 Y1823 W1945 I1947R1822-N1949 WeakPolarHBondContact CG-O 3.4Å; R1822-N1949 PolarHBondContact NE-O 3.19Å; Y1823-N1949 VanDerWaalsContact O-CA 3.31Å; Y1823-N1949 WeakPolarHBondContact O-CA 3.45Å; Y1823-N1949 WeakPolarHBondContact O-CB 3.29Å; W1945-N1949 PolarHBondContact NE1-ND2 3.13Å; W1945-N1949 VanDerWaalsContact NE1-ND2 3.15Å; W1945-N1949 PolarHBondContact NE1-OD1 3.48Å; W1945-N1949 WeakPolarHBondContact O-CB 3.48Å; W1945-N1949 PolarHBondContact O-N 3.34Å; W1945-N1949 PolarHBondContact O-ND2 2.99Å; W1945-N1949 PolarHBondContact O-OD1 3.42Å; I1947-N1949 VanDerWaalsContact C-N 3.3Å; I1947-N1949 PolarHBondContact O-N 3.26Å
1950G78Confident76.3Confident0 Ų033.1 Ų33.10%017%0.174CC..  trans88.4163.1-164.300000113.1Q1946 I1947Q1946-G1950 PolarHBondContact NE2-O 2.92Å; Q1946-G1950 WeakPolarHBondContact O-CA 3.41Å; Q1946-G1950 PolarHBondContact O-N 3.32Å; I1947-G1950 PolarHBondContact O-N 3.43Å
1951Y77.7Confident75.2Confident18 Ų1833.3 Ų33.37%0.07118%0.175CC..  trans-77.2149.1171.8-62.2-68.6000111.3Y1888 V1893 K1896 Q1946Y1888-Y1951 AromaticContact CD2-CD1 3.99Å; Y1888-Y1951 HydrophobicContact CD2-CD1 3.99Å; Y1888-Y1951 AromaticContact CD2-CE1 3.77Å; Y1888-Y1951 HydrophobicContact CD2-CE1 3.77Å; Y1888-Y1951 HydrophobicContact CE2-CD1 4.31Å; Y1888-Y1951 HydrophobicContact CE2-CE1 4.48Å; V1893-Y1951 HydrophobicContact CG2-CD2 3.81Å; V1893-Y1951 HydrophobicContact CG2-CE2 4.19Å; K1896-Y1951 WeakPolarHBondContact CG-OH 3.47Å; Q1946-Y1951 HydrophobicContact CG-CD1 4.15Å; Q1946-Y1951 HydrophobicContact CG-CE1 3.66Å
1952P73.5Confident74.1Confident6 Ų635.5 Ų35.54%0.03918%0.184CC..  trans-69.2153.5169.131.6-35.3000111.1I1824 D1826 L1954I1824-P1952 HydrophobicContact CG2-CB 4.12Å; D1826-P1952 HydrophobicContact CB-CG 4.34Å; P1952-L1954 WeakPolarHBondContact CG-O 3.21Å; P1952-L1954 PolarHBondContact O-N 3.13Å
1953E66.3Low73.2Confident150 Ų15037.2 Ų37.270%0.70120%0.197SC*.SBendtrans-68.6-24.1176.5-64.8-172.9163.800112.9K1891K1891-E1953 PolarHBondContact NZ-O 3.3Å
1954L65.7Low72.5Confident38 Ų3838.9 Ų38.920%0.19920%0.204CC..  trans-114.9131.2-179.8-158.286.3000110.1I1361 F1418 P1952 I1956 E2402I1361-L1954 HydrophobicContact CD1-CD1 3.77Å; I1361-L1954 HydrophobicContact CD1-CD2 3.28Å; I1361-L1954 HydrophobicContact CD1-CG 4.16Å; F1418-L1954 HydrophobicContact CE1-CB 4.15Å; F1418-L1954 HydrophobicContact CE1-CD2 4.24Å; F1418-L1954 HydrophobicContact CZ-CB 4.18Å; F1418-L1954 HydrophobicContact CZ-CD2 4.05Å; P1952-L1954 WeakPolarHBondContact CG-O 3.21Å; P1952-L1954 PolarHBondContact O-N 3.13Å; L1954-I1956 HydrophobicContact CD1-CD1 4.4Å; L1954-I1956 HydrophobicContact CD2-CD1 4.29Å; L1954-I1956 HydrophobicContact CD2-CG1 4.35Å; L1954-I1956 HydrophobicContact CG-CD1 4.36Å; L1954-I1956 HydrophobicContact CG-CG1 4.16Å; L1954-E2402 HydrophobicContact CD1-CG 4.39Å; L1954-E2402 WeakPolarHBondContact CD1-OE2 3.5Å; L1954-E2402 VanDerWaalsContact CG-OE2 3.3Å; L1954-E2402 WeakPolarHBondContact CG-OE2 3.35Å
1955C63.5Low71.8Confident27 Ų2740.2 Ų40.218%0.18222%0.218CC..  trans-125.821.7-172.9-79.30000114.1K1891 G1957 E2402K1891-C1955 VanDerWaalsContact CE-SG 3.53Å; C1955-G1957 PolarHBondContact O-N 3.48Å; C1955-E2402 PolarHBondContact N-OE1 3.09Å; C1955-E2402 PolarHBondContact N-OE2 3.44Å
1956I58.8Low71.2Confident42 Ų4240.9 Ų40.922%0.21523%0.225CC..  trans-70.2119.3-180-47.8-179.1000111.4L1954 L2399 E2402L1954-I1956 HydrophobicContact CD1-CD1 4.4Å; L1954-I1956 HydrophobicContact CD2-CD1 4.29Å; L1954-I1956 HydrophobicContact CD2-CG1 4.35Å; L1954-I1956 HydrophobicContact CG-CD1 4.36Å; L1954-I1956 HydrophobicContact CG-CG1 4.16Å; I1956-L2399 HydrophobicContact CD1-CB 4.32Å; I1956-E2402 WeakPolarHBondContact CG1-OE2 3.25Å
1957G60Low70.5Confident47 Ų4746.2 Ų46.249%0.48526%0.258SS..  trans136.1146.6164.800000114.3C1955C1955-G1957 PolarHBondContact O-N 3.48Å
1958N63.9Low70.3Confident28 Ų2847.4 Ų47.415%0.1526%0.264CS..  trans-92.5132.5159.7175.20000106.9L1960 T1961 H1962N1958-L1960 PolarHBondContact O-N 3.14Å; N1958-L1960 PolarHBondContact OD1-N 3.28Å; N1958-L1960 VanDerWaalsContact OD1-N 3.1Å; N1958-T1961 HydrophobicContact CB-CG2 4.21Å; N1958-T1961 WeakPolarHBondContact O-CA 3.5Å; N1958-T1961 PolarHBondContact O-N 2.75Å; N1958-T1961 PolarHBondContact O-OG1 3.03Å; N1958-H1962 PolarHBondContact O-CD2 3.37Å; N1958-H1962 VanDerWaalsContact O-CD2 3.27Å; N1958-H1962 PolarHBondContact O-N 2.91Å
1959L63.5Low70.4Confident106 Ų10646.2 Ų46.256%0.55526%0.261SS*.G310 helixtrans-52.1-34.3177.7-176.361.9000112.2P1829 T1961P1829-L1959 HydrophobicContact CB-CB 4.02Å; P1829-L1959 HydrophobicContact CB-CD2 3.59Å; P1829-L1959 HydrophobicContact CB-CG 4.42Å; P1829-L1959 HydrophobicContact CG-CB 4.08Å; P1829-L1959 HydrophobicContact CG-CD2 4.24Å; L1959-T1961 PolarHBondContact O-N 3.39Å
1960L66.1Low70.7Confident43 Ų4350 Ų5023%0.22528%0.281CS..G310 helixtrans-70-15177.1-55.7-179.5000114.2N1958 N1968 A1971 F1972 F1975 F2013N1958-L1960 PolarHBondContact O-N 3.14Å; N1958-L1960 PolarHBondContact OD1-N 3.28Å; N1958-L1960 VanDerWaalsContact OD1-N 3.1Å; L1960-N1968 WeakPolarHBondContact O-CB 3.38Å; L1960-N1968 PolarHBondContact O-ND2 2.89Å; L1960-N1968 VanDerWaalsContact O-ND2 3.14Å; L1960-A1971 HydrophobicContact CD2-CB 3.86Å; L1960-F1972 HydrophobicContact CB-CB 4.42Å; L1960-F1972 HydrophobicContact CB-CD2 4.28Å; L1960-F1975 HydrophobicContact CD1-CB 3.74Å; L1960-F1975 HydrophobicContact CD1-CD2 3.93Å; L1960-F1975 HydrophobicContact CD1-CG 3.93Å; L1960-F2013 WeakPolarHBondContact O-CZ 3.32Å
1961T69.1Low70.8Confident4 Ų451.7 Ų51.73%0.02530%0.295CS..G310 helixtrans-113.5-0.5-177.968.20000115.1N1958 L1959 S1963 F1972 Y2009 F2013N1958-T1961 HydrophobicContact CB-CG2 4.21Å; N1958-T1961 WeakPolarHBondContact O-CA 3.5Å; N1958-T1961 PolarHBondContact O-N 2.75Å; N1958-T1961 PolarHBondContact O-OG1 3.03Å; L1959-T1961 PolarHBondContact O-N 3.39Å; T1961-S1963 VanDerWaalsContact C-N 3.33Å; T1961-S1963 PolarHBondContact O-N 3.36Å; T1961-F1972 HydrophobicContact CG2-CD2 3.71Å; T1961-F1972 HydrophobicContact CG2-CE2 3.67Å; T1961-F1972 HydrophobicContact CG2-CG 4.38Å; T1961-F1972 HydrophobicContact CG2-CZ 4.3Å; T1961-Y2009 WeakPolarHBondContact CB-OH 3.47Å; T1961-Y2009 HydrophobicContact CG2-CE1 4.22Å; T1961-Y2009 PolarHBondContact OG1-OH 2.98Å; T1961-F2013 VanDerWaalsContact CA-CE2 3.41Å; T1961-F2013 HydrophobicContact CG2-CD1 3.95Å; T1961-F2013 HydrophobicContact CG2-CD2 3.93Å; T1961-F2013 HydrophobicContact CG2-CE1 3.9Å; T1961-F2013 HydrophobicContact CG2-CE2 3.89Å; T1961-F2013 HydrophobicContact CG2-CG 3.97Å; T1961-F2013 HydrophobicContact CG2-CZ 3.88Å; T1961-F2013 WeakPolarHBondContact O-CE2 3.4Å
1962H65Low71.1Confident70 Ų7051 Ų5132%0.32429%0.292SS..SBendtrans-66.9-27.9174.6-85.6-87.3000114.2N1958N1958-H1962 PolarHBondContact O-CD2 3.37Å; N1958-H1962 VanDerWaalsContact O-CD2 3.27Å; N1958-H1962 PolarHBondContact O-N 2.91Å
1963S69.1Low71.7Confident59 Ų5955.3 Ų55.341%0.41331%0.31SS..SBendtrans-128146.2174.985.30000112.4T1961 G1965 N1968T1961-S1963 VanDerWaalsContact C-N 3.33Å; T1961-S1963 PolarHBondContact O-N 3.36Å; S1963-G1965 VanDerWaalsContact C-N 3.29Å; S1963-G1965 PolarHBondContact O-N 2.93Å; S1963-N1968 VanDerWaalsContact O-CB 3.26Å; S1963-N1968 WeakPolarHBondContact O-CB 3.46Å; S1963-N1968 PolarHBondContact O-ND2 3.47Å; S1963-N1968 PolarHBondContact OG-ND2 3.34Å; S1963-N1968 VanDerWaalsContact OG-ND2 3.09Å
1964Y75.7Confident72.4Confident35 Ų3552 Ų5214%0.13730%0.3CS..  trans-93.431-172-52.4-62.7000113.3P1414 F2013 K2016 Q2020 L2391P1414-Y1964 HydrophobicContact CB-CE2 4.14Å; P1414-Y1964 HydrophobicContact CG-CE2 3.98Å; Y1964-F2013 AromaticContact CD1-CD2 3.88Å; Y1964-F2013 HydrophobicContact CD1-CD2 3.88Å; Y1964-F2013 AromaticContact CD1-CE2 3.52Å; Y1964-F2013 HydrophobicContact CD1-CE2 3.52Å; Y1964-F2013 AromaticContact CE1-CD2 3.78Å; Y1964-F2013 HydrophobicContact CE1-CD2 3.78Å; Y1964-F2013 AromaticContact CE1-CE2 3.7Å; Y1964-F2013 HydrophobicContact CE1-CE2 3.7Å; Y1964-K2016 HydrophobicContact CD1-CB 4.24Å; Y1964-K2016 HydrophobicContact CD1-CG 3.49Å; Y1964-K2016 VanDerWaalsContact CD1-CG 3.49Å; Y1964-K2016 HydrophobicContact CD2-CG 4.11Å; Y1964-K2016 HydrophobicContact CE1-CG 3.89Å; Y1964-K2016 HydrophobicContact CE2-CG 4.44Å; Y1964-K2016 HydrophobicContact CG-CG 3.63Å; Y1964-Q2020 WeakPolarHBondContact O-CB 3.21Å; Y1964-L2391 HydrophobicContact CE1-CD2 3.77Å; Y1964-L2391 WeakPolarHBondContact OH-CD2 3.41Å
1965G72.2Confident73.3Confident29 Ų2951.3 Ų51.330%0.29930%0.296SS..  trans-81.5159.7-177.600000114.3S1963 T1967 N1968 M1969S1963-G1965 VanDerWaalsContact C-N 3.29Å; S1963-G1965 PolarHBondContact O-N 2.93Å; G1965-T1967 VanDerWaalsContact C-N 3.27Å; G1965-T1967 PolarHBondContact O-N 3.09Å; G1965-N1968 PolarHBondContact O-N 2.86Å; G1965-M1969 PolarHBondContact O-N 3.07Å
1966M74.1Confident74.2Confident89 Ų8953.1 Ų53.144%0.43830%0.302SS..Hα-helixtrans-55.4-40.3175.7-178.5-179.6176.700112.7N1968 M1969 I1970 F2021M1966-N1968 VanDerWaalsContact C-N 3.33Å; M1966-N1968 PolarHBondContact O-N 3.21Å; M1966-M1969 PolarHBondContact O-N 3.43Å; M1966-I1970 HydrophobicContact CE-CD1 3.91Å; M1966-I1970 HydrophobicContact CG-CD1 3.99Å; M1966-I1970 WeakPolarHBondContact O-CG1 3.42Å; M1966-I1970 PolarHBondContact O-N 2.89Å; M1966-F2021 HydrophobicContact CB-CD2 4.1Å; M1966-F2021 HydrophobicContact CG-CD2 4.29Å; M1966-F2021 HydrophobicContact CG-CE2 4.5Å; M1966-F2021 HydrophobicContact SD-CD2 3.98Å; M1966-F2021 HydrophobicContact SD-CE2 3.62Å
1967T72.4Confident75.3Confident112 Ų11257.4 Ų57.469%0.68733%0.326SS*.Hα-helixtrans-60.6-42.5176.7-44.20000111.5G1965 I1970 A1971G1965-T1967 VanDerWaalsContact C-N 3.27Å; G1965-T1967 PolarHBondContact O-N 3.09Å; T1967-I1970 PolarHBondContact O-N 3.45Å; T1967-A1971 WeakPolarHBondContact O-CB 3.5Å; T1967-A1971 PolarHBondContact O-N 3.21Å
1968N81.4Confident76.3Confident32 Ų3258.6 Ų58.617%0.17132%0.32CS..Hα-helixtrans-69.6-41.9178.1-81.832000111.7L1960 S1963 G1965 M1966 I1970 A1971 F1972 F2013L1960-N1968 WeakPolarHBondContact O-CB 3.38Å; L1960-N1968 PolarHBondContact O-ND2 2.89Å; L1960-N1968 VanDerWaalsContact O-ND2 3.14Å; S1963-N1968 VanDerWaalsContact O-CB 3.26Å; S1963-N1968 WeakPolarHBondContact O-CB 3.46Å; S1963-N1968 PolarHBondContact O-ND2 3.47Å; S1963-N1968 PolarHBondContact OG-ND2 3.34Å; S1963-N1968 VanDerWaalsContact OG-ND2 3.09Å; G1965-N1968 PolarHBondContact O-N 2.86Å; M1966-N1968 VanDerWaalsContact C-N 3.33Å; M1966-N1968 PolarHBondContact O-N 3.21Å; N1968-I1970 VanDerWaalsContact C-N 3.3Å; N1968-I1970 PolarHBondContact O-N 3.47Å; N1968-A1971 PolarHBondContact O-N 3.1Å; N1968-F1972 WeakPolarHBondContact O-CB 3.13Å; N1968-F1972 PolarHBondContact O-N 3.34Å; N1968-F2013 HydrophobicContact CB-CZ 4.5Å
1969M84Confident77Confident28 Ų2862.1 Ų62.114%0.13835%0.345CS..Hα-helixtrans-56.6-43.9171.8-174.6-177.554.400111.9G1965 M1966 K1973 C2017G1965-M1969 PolarHBondContact O-N 3.07Å; M1966-M1969 PolarHBondContact O-N 3.43Å; M1969-K1973 HydrophobicContact CG-CD 4.28Å; M1969-K1973 WeakPolarHBondContact O-CB 3.34Å; M1969-K1973 VanDerWaalsContact O-CG 3.3Å; M1969-K1973 WeakPolarHBondContact O-CG 3.41Å; M1969-K1973 PolarHBondContact O-N 2.95Å; M1969-C2017 HydrophobicContact CB-CB 3.72Å; M1969-C2017 HydrophobicContact CG-CB 4.05Å; M1969-C2017 HydrophobicContact SD-CB 4.21Å
1970I83.9Confident78Confident87 Ų8765 Ų6545%0.44635%0.353SS..Hα-helixtrans-67.9-48.4179-68.7167.8000110.4M1966 T1967 N1968 F1972 K1973 V1974M1966-I1970 HydrophobicContact CE-CD1 3.91Å; M1966-I1970 HydrophobicContact CG-CD1 3.99Å; M1966-I1970 WeakPolarHBondContact O-CG1 3.42Å; M1966-I1970 PolarHBondContact O-N 2.89Å; T1967-I1970 PolarHBondContact O-N 3.45Å; N1968-I1970 VanDerWaalsContact C-N 3.3Å; N1968-I1970 PolarHBondContact O-N 3.47Å; I1970-F1972 VanDerWaalsContact C-N 3.32Å; I1970-F1972 PolarHBondContact O-N 3.29Å; I1970-K1973 PolarHBondContact O-N 3.08Å; I1970-V1974 WeakPolarHBondContact O-CG2 3.43Å; I1970-V1974 PolarHBondContact O-N 3.32Å
1971A80Confident78.8Confident36 Ų3664.8 Ų64.830%0.29835%0.352SS..Hα-helixtrans-62.8-38179.300000112.4L1960 T1967 N1968 V1974 F1975L1960-A1971 HydrophobicContact CD2-CB 3.86Å; T1967-A1971 WeakPolarHBondContact O-CB 3.5Å; T1967-A1971 PolarHBondContact O-N 3.21Å; N1968-A1971 PolarHBondContact O-N 3.1Å; A1971-V1974 PolarHBondContact O-N 2.92Å; A1971-F1975 WeakPolarHBondContact O-CB 3.43Å; A1971-F1975 PolarHBondContact O-N 2.88Å
1972F85.8Confident79.5Confident3 Ų365 Ų651%0.01335%0.353CS..Hα-helixtrans-69.9-40.2175.4-172.7-106.4000112.3L1960 T1961 N1968 I1970 V1974 F1975 M1976 A2010 F2013L1960-F1972 HydrophobicContact CB-CB 4.42Å; L1960-F1972 HydrophobicContact CB-CD2 4.28Å; T1961-F1972 HydrophobicContact CG2-CD2 3.71Å; T1961-F1972 HydrophobicContact CG2-CE2 3.67Å; T1961-F1972 HydrophobicContact CG2-CG 4.38Å; T1961-F1972 HydrophobicContact CG2-CZ 4.3Å; N1968-F1972 WeakPolarHBondContact O-CB 3.13Å; N1968-F1972 PolarHBondContact O-N 3.34Å; I1970-F1972 VanDerWaalsContact C-N 3.32Å; I1970-F1972 PolarHBondContact O-N 3.29Å; F1972-V1974 VanDerWaalsContact C-N 3.35Å; F1972-F1975 WeakPolarHBondContact O-CB 3.22Å; F1972-F1975 PolarHBondContact O-N 2.7Å; F1972-M1976 HydrophobicContact CD1-CG 4.46Å; F1972-M1976 HydrophobicContact CD1-SD 3.98Å; F1972-M1976 HydrophobicContact CE1-CG 4.18Å; F1972-M1976 HydrophobicContact CE1-SD 3.53Å; F1972-M1976 VanDerWaalsContact CE1-SD 3.53Å; F1972-M1976 HydrophobicContact CZ-CG 4.36Å; F1972-M1976 HydrophobicContact CZ-SD 4.15Å; F1972-M1976 WeakPolarHBondContact O-CG 3.42Å; F1972-M1976 PolarHBondContact O-N 2.74Å; F1972-A2010 HydrophobicContact CE1-CB 3.78Å; F1972-A2010 HydrophobicContact CZ-CB 3.68Å; F1972-F2013 HydrophobicContact CB-CD1 4.47Å; F1972-F2013 HydrophobicContact CB-CE1 3.9Å; F1972-F2013 AromaticContact CD1-CD1 3.53Å; F1972-F2013 HydrophobicContact CD1-CD1 3.53Å; F1972-F2013 AromaticContact CD1-CE1 3.84Å; F1972-F2013 HydrophobicContact CD1-CE1 3.84Å; F1972-F2013 HydrophobicContact CD2-CE1 4.49Å; F1972-F2013 AromaticContact CE1-CD1 3.8Å; F1972-F2013 HydrophobicContact CE1-CD1 3.8Å; F1972-F2013 AromaticContact CG-CD1 3.94Å; F1972-F2013 HydrophobicContact CG-CD1 3.94Å; F1972-F2013 AromaticContact CG-CE1 3.83Å; F1972-F2013 HydrophobicContact CG-CE1 3.83Å; F1972-F2013 HydrophobicContact CZ-CD1 4.44Å
1973K84.8Confident80.5Confident96 Ų9666.2 Ų66.242%0.41736%0.358SS..Hα-helixtrans-65.1-36.7171.5-74.4-178.6-175.4-176.20112.3M1969 I1970 N1977 N2014M1969-K1973 HydrophobicContact CG-CD 4.28Å; M1969-K1973 WeakPolarHBondContact O-CB 3.34Å; M1969-K1973 VanDerWaalsContact O-CG 3.3Å; M1969-K1973 WeakPolarHBondContact O-CG 3.41Å; M1969-K1973 PolarHBondContact O-N 2.95Å; I1970-K1973 PolarHBondContact O-N 3.08Å; K1973-N1977 WeakPolarHBondContact O-CB 3.49Å; K1973-N1977 PolarHBondContact O-N 3.26Å; K1973-N1977 PolarHBondContact O-ND2 2.97Å; K1973-N2014 WeakPolarHBondContact CE-OD1 3.32Å; K1973-N2014 WeakPolarHBondContact CG-OD1 3.34Å
1974V82.4Confident81.3Confident81 Ų8167.9 Ų67.949%0.49136%0.362SS..Hα-helixtrans-63.3-46.7171.4169.70000110.3I1970 A1971 F1972 M1976 N1977 I1978I1970-V1974 WeakPolarHBondContact O-CG2 3.43Å; I1970-V1974 PolarHBondContact O-N 3.32Å; A1971-V1974 PolarHBondContact O-N 2.92Å; F1972-V1974 VanDerWaalsContact C-N 3.35Å; V1974-M1976 PolarHBondContact O-N 3.33Å; V1974-N1977 PolarHBondContact O-N 3.04Å; V1974-I1978 HydrophobicContact CG1-CD1 4.46Å; V1974-I1978 WeakPolarHBondContact O-CG1 3.28Å; V1974-I1978 PolarHBondContact O-N 3.4Å
1975F83.1Confident81.8Confident24 Ų2468.5 Ų68.511%0.10536%0.364CS..Hα-helixtrans-55.6-45175.9176.1-86.1000112.7L1960 A1971 F1972 N1977 I1978 L1981 F1982L1960-F1975 HydrophobicContact CD1-CB 3.74Å; L1960-F1975 HydrophobicContact CD1-CD2 3.93Å; L1960-F1975 HydrophobicContact CD1-CG 3.93Å; A1971-F1975 WeakPolarHBondContact O-CB 3.43Å; A1971-F1975 PolarHBondContact O-N 2.88Å; F1972-F1975 WeakPolarHBondContact O-CB 3.22Å; F1972-F1975 PolarHBondContact O-N 2.7Å; F1975-N1977 VanDerWaalsContact C-N 3.33Å; F1975-N1977 PolarHBondContact O-N 3.1Å; F1975-I1978 PolarHBondContact O-N 3.29Å; F1975-L1981 HydrophobicContact CD2-CD2 3.71Å; F1975-L1981 HydrophobicContact CE1-CD2 4.36Å; F1975-L1981 HydrophobicContact CE2-CD2 3.22Å; F1975-L1981 HydrophobicContact CG-CD2 4.44Å; F1975-L1981 HydrophobicContact CZ-CD2 3.58Å; F1975-F1982 HydrophobicContact CE1-CD2 4.19Å
1976M82.1Confident82.5Confident64 Ų6467.1 Ų67.132%0.31535%0.35SS..Hα-helixtrans-66.1-31.3174.7-69-179.87600113.4F1972 V1974 A2010F1972-M1976 HydrophobicContact CD1-CG 4.46Å; F1972-M1976 HydrophobicContact CD1-SD 3.98Å; F1972-M1976 HydrophobicContact CE1-CG 4.18Å; F1972-M1976 HydrophobicContact CE1-SD 3.53Å; F1972-M1976 VanDerWaalsContact CE1-SD 3.53Å; F1972-M1976 HydrophobicContact CZ-CG 4.36Å; F1972-M1976 HydrophobicContact CZ-SD 4.15Å; F1972-M1976 WeakPolarHBondContact O-CG 3.42Å; F1972-M1976 PolarHBondContact O-N 2.74Å; V1974-M1976 PolarHBondContact O-N 3.33Å; M1976-A2010 HydrophobicContact CE-CB 3.89Å; M1976-A2010 HydrophobicContact SD-CB 4.05Å
1977N81.8Confident83.2Confident132 Ų13264.4 Ų64.471%0.70634%0.342SS*.Hα-helixtrans-82.6-8.7-178.5-74-28.4000114K1973 V1974 F1975K1973-N1977 WeakPolarHBondContact O-CB 3.49Å; K1973-N1977 PolarHBondContact O-N 3.26Å; K1973-N1977 PolarHBondContact O-ND2 2.97Å; V1974-N1977 PolarHBondContact O-N 3.04Å; F1975-N1977 VanDerWaalsContact C-N 3.33Å; F1975-N1977 PolarHBondContact O-N 3.1Å
1978I81.2Confident83.9Confident72 Ų7260.1 Ų60.137%0.36931%0.314SS..SBendtrans-77120.3175.5-64.9163.7000108.5V1974 F1975 F1980 L1981V1974-I1978 HydrophobicContact CG1-CD1 4.46Å; V1974-I1978 WeakPolarHBondContact O-CG1 3.28Å; V1974-I1978 PolarHBondContact O-N 3.4Å; F1975-I1978 PolarHBondContact O-N 3.29Å; I1978-F1980 PolarHBondContact O-N 2.99Å; I1978-L1981 HydrophobicContact CB-CB 3.98Å; I1978-L1981 HydrophobicContact CB-CD1 4.23Å; I1978-L1981 HydrophobicContact CD1-CD1 4.08Å; I1978-L1981 HydrophobicContact CG2-CB 3.68Å; I1978-L1981 HydrophobicContact CG2-CD1 3.76Å; I1978-L1981 HydrophobicContact CG2-CG 4.38Å; I1978-L1981 PolarHBondContact O-N 3.1Å
1979P80.2Confident84.2Confident103 Ų10359 Ų5967%0.66931%0.308SS*.THydrogen-bonded Turntrans-60138.9-174.625.1-34.8000111.4L1981P1979-L1981 PolarHBondContact O-N 3.26Å
1980F83.4Confident84.5Confident167 Ų16761.7 Ų61.773%0.73232%0.317SS*.THydrogen-bonded Turntrans60.1-12-175.8-48.1-73.1000116.8I1978 E1983 L1984I1978-F1980 PolarHBondContact O-N 2.99Å; F1980-E1983 PolarHBondContact O-N 3.49Å; F1980-L1984 WeakPolarHBondContact O-CB 3.46Å; F1980-L1984 PolarHBondContact O-N 3.5Å
1981L82.6Confident84.8Confident38 Ų3861.2 Ų61.220%0.19932%0.318CS..Hα-helixtrans-71.5-43.1-172.4-165158.3000112.2F1975 I1978 P1979 R1985F1975-L1981 HydrophobicContact CD2-CD2 3.71Å; F1975-L1981 HydrophobicContact CE1-CD2 4.36Å; F1975-L1981 HydrophobicContact CE2-CD2 3.22Å; F1975-L1981 HydrophobicContact CG-CD2 4.44Å; F1975-L1981 HydrophobicContact CZ-CD2 3.58Å; I1978-L1981 HydrophobicContact CB-CB 3.98Å; I1978-L1981 HydrophobicContact CB-CD1 4.23Å; I1978-L1981 HydrophobicContact CD1-CD1 4.08Å; I1978-L1981 HydrophobicContact CG2-CB 3.68Å; I1978-L1981 HydrophobicContact CG2-CD1 3.76Å; I1978-L1981 HydrophobicContact CG2-CG 4.38Å; I1978-L1981 PolarHBondContact O-N 3.1Å; P1979-L1981 PolarHBondContact O-N 3.26Å; L1981-R1985 WeakPolarHBondContact O-CB 3.15Å; L1981-R1985 PolarHBondContact O-N 2.63Å
1982F84.7Confident85.1Confident9 Ų964.1 Ų64.14%0.03932%0.321CS..Hα-helixtrans-60.1-52.9171.5179.4-102.7000111F1975 L1984 R1985 T1986 E2006F1975-F1982 HydrophobicContact CE1-CD2 4.19Å; F1982-L1984 PolarHBondContact O-N 2.63Å; F1982-R1985 PolarHBondContact O-N 3.26Å; F1982-T1986 HydrophobicContact CE1-CG2 4.36Å; F1982-T1986 HydrophobicContact CE2-CG2 4.27Å; F1982-T1986 HydrophobicContact CZ-CG2 4.15Å; F1982-T1986 PolarHBondContact O-N 3.17Å; F1982-T1986 PolarHBondContact O-OG1 3.38Å; F1982-E2006 HydrophobicContact CZ-CB 4.18Å
1983E85.6Confident85.1Confident94 Ų9466.2 Ų66.244%0.43934%0.335SS..Hα-helixtrans-58.3-43-179.6-49.8-64129.700113.5F1980 T1986 A1987 F2003F1980-E1983 PolarHBondContact O-N 3.49Å; E1983-T1986 PolarHBondContact O-OG1 2.91Å; E1983-T1986 VanDerWaalsContact O-OG1 3.07Å; E1983-A1987 VanDerWaalsContact O-CB 3.28Å; E1983-A1987 WeakPolarHBondContact O-CB 3.36Å; E1983-A1987 PolarHBondContact O-N 3.38Å; E1983-F2003 HydrophobicContact CB-CE1 4.44Å; E1983-F2003 HydrophobicContact CB-CZ 4.48Å; E1983-F2003 WeakPolarHBondContact OE2-CE1 3.34Å
1984L85.4Confident85.1Confident94 Ų9464.8 Ų64.849%0.49233%0.332SS..Hα-helixtrans-71.6-37.7179.4-177.365.5000110.7F1980 F1982 I1988F1980-L1984 WeakPolarHBondContact O-CB 3.46Å; F1980-L1984 PolarHBondContact O-N 3.5Å; F1982-L1984 PolarHBondContact O-N 2.63Å; L1984-I1988 HydrophobicContact CD1-CD1 3.91Å; L1984-I1988 HydrophobicContact CD1-CG1 4.27Å; L1984-I1988 HydrophobicContact CD2-CD1 4.46Å; L1984-I1988 HydrophobicContact CG-CD1 3.75Å; L1984-I1988 HydrophobicContact CG-CG1 4.46Å; L1984-I1988 WeakPolarHBondContact O-CB 3.43Å; L1984-I1988 WeakPolarHBondContact O-CD1 3.25Å; L1984-I1988 WeakPolarHBondContact O-CG1 3.12Å; L1984-I1988 PolarHBondContact O-N 3.47Å
1985R86.3Confident85.4Confident49 Ų4962.4 Ų62.419%0.18532%0.317CS..Hα-helixtrans-62.5-53.4173.3179.4-169.2153.8-129.2-27.7110.4L1981 F1982 A1987 I1988 D1989 E2006L1981-R1985 WeakPolarHBondContact O-CB 3.15Å; L1981-R1985 PolarHBondContact O-N 2.63Å; F1982-R1985 PolarHBondContact O-N 3.26Å; R1985-A1987 VanDerWaalsContact C-N 3.27Å; R1985-A1987 PolarHBondContact O-N 3.23Å; R1985-I1988 PolarHBondContact O-N 3.37Å; R1985-D1989 WeakPolarHBondContact CG-OD2 3.37Å; R1985-D1989 IonicContact CZ-OD2 3.16Å; R1985-D1989 IonicContact NE-OD2 2.66Å; R1985-D1989 PolarHBondContact NE-OD2 3.24Å; R1985-D1989 IonicContact NH2-OD2 2.73Å; R1985-D1989 PolarHBondContact NH2-OD2 2.99Å; R1985-D1989 VanDerWaalsContact O-CB 3.29Å; R1985-D1989 WeakPolarHBondContact O-CB 3.34Å; R1985-D1989 VanDerWaalsContact O-CG 3.29Å; R1985-D1989 PolarHBondContact O-N 3.44Å; R1985-E2006 IonicContact CZ-OE2 3.98Å; R1985-E2006 IonicContact NH1-OE2 2.68Å; R1985-E2006 IonicContact NH2-OE1 3.33Å; R1985-E2006 PolarHBondContact NH2-OE1 3.19Å; R1985-E2006 IonicContact NH2-OE2 2.59Å; R1985-E2006 PolarHBondContact NH2-OE2 3.04Å
1986T86.9Confident85.5Confident0 Ų063 Ų630%032%0.324CS..Hα-helixtrans-62.6-36.9-176.451.10000111.5F1982 E1983 W1990 F2003 E2006F1982-T1986 HydrophobicContact CE1-CG2 4.36Å; F1982-T1986 HydrophobicContact CE2-CG2 4.27Å; F1982-T1986 HydrophobicContact CZ-CG2 4.15Å; F1982-T1986 PolarHBondContact O-N 3.17Å; F1982-T1986 PolarHBondContact O-OG1 3.38Å; E1983-T1986 PolarHBondContact O-OG1 2.91Å; E1983-T1986 VanDerWaalsContact O-OG1 3.07Å; T1986-W1990 VanDerWaalsContact O-CB 3.26Å; T1986-W1990 WeakPolarHBondContact O-CB 3.36Å; T1986-W1990 PolarHBondContact O-N 3.28Å; T1986-F2003 WeakPolarHBondContact OG1-CE1 3.15Å; T1986-F2003 WeakPolarHBondContact OG1-CZ 3.5Å; T1986-E2006 HydrophobicContact CG2-CB 3.93Å; T1986-E2006 HydrophobicContact CG2-CG 3.84Å
1987A88.7Confident85.7Confident32 Ų3260.1 Ų60.126%0.26431%0.31SS..Hα-helixtrans-63.5-48.5171.500000112.8E1983 R1985 W1990 T1991E1983-A1987 VanDerWaalsContact O-CB 3.28Å; E1983-A1987 WeakPolarHBondContact O-CB 3.36Å; E1983-A1987 PolarHBondContact O-N 3.38Å; R1985-A1987 VanDerWaalsContact C-N 3.27Å; R1985-A1987 PolarHBondContact O-N 3.23Å; A1987-W1990 PolarHBondContact O-N 3.48Å; A1987-T1991 WeakPolarHBondContact O-CG2 3.43Å; A1987-T1991 PolarHBondContact O-N 2.93Å; A1987-T1991 PolarHBondContact O-OG1 3.13Å
1988I88.4Confident86Confident21 Ų2156.4 Ų56.411%0.10829%0.293CS..Hα-helixtrans-64.5-45.8179.1-69.1167.9000110.9I1882 R1885 L1984 R1985 W1990 T1991 W1992I1882-I1988 HydrophobicContact CG1-CD1 3.92Å; I1882-I1988 HydrophobicContact CG2-CD1 4.44Å; R1885-I1988 HydrophobicContact CB-CG2 4.12Å; R1885-I1988 HydrophobicContact CG-CG2 3.54Å; L1984-I1988 HydrophobicContact CD1-CD1 3.91Å; L1984-I1988 HydrophobicContact CD1-CG1 4.27Å; L1984-I1988 HydrophobicContact CD2-CD1 4.46Å; L1984-I1988 HydrophobicContact CG-CD1 3.75Å; L1984-I1988 HydrophobicContact CG-CG1 4.46Å; L1984-I1988 WeakPolarHBondContact O-CB 3.43Å; L1984-I1988 WeakPolarHBondContact O-CD1 3.25Å; L1984-I1988 WeakPolarHBondContact O-CG1 3.12Å; L1984-I1988 PolarHBondContact O-N 3.47Å; R1985-I1988 PolarHBondContact O-N 3.37Å; I1988-W1990 VanDerWaalsContact C-N 3.29Å; I1988-W1990 PolarHBondContact O-N 3.16Å; I1988-T1991 WeakPolarHBondContact CA-OG1 3.48Å; I1988-T1991 PolarHBondContact O-N 3.38Å; I1988-T1991 VanDerWaalsContact O-N 3.12Å; I1988-T1991 PolarHBondContact O-OG1 3.39Å; I1988-W1992 PolarHBondContact O-N 3.37Å
1989D86.7Confident86.4Confident8 Ų855.5 Ų55.54%0.04329%0.289CS..Hα-helixtrans-60.7-39.2178.4-71.7-2.3000110.5R1885 R1985 T1993 F2002R1885-D1989 IonicContact CZ-OD1 3.07Å; R1885-D1989 IonicContact CZ-OD2 3.4Å; R1885-D1989 IonicContact NE-OD1 2.79Å; R1885-D1989 PolarHBondContact NE-OD1 2.96Å; R1885-D1989 IonicContact NH2-OD1 3.5Å; R1885-D1989 PolarHBondContact NH2-OD1 3.15Å; R1885-D1989 IonicContact NH2-OD2 3.11Å; R1885-D1989 PolarHBondContact NH2-OD2 2.82Å; R1985-D1989 WeakPolarHBondContact CG-OD2 3.37Å; R1985-D1989 IonicContact CZ-OD2 3.16Å; R1985-D1989 IonicContact NE-OD2 2.66Å; R1985-D1989 PolarHBondContact NE-OD2 3.24Å; R1985-D1989 IonicContact NH2-OD2 2.73Å; R1985-D1989 PolarHBondContact NH2-OD2 2.99Å; R1985-D1989 VanDerWaalsContact O-CB 3.29Å; R1985-D1989 WeakPolarHBondContact O-CB 3.34Å; R1985-D1989 VanDerWaalsContact O-CG 3.29Å; R1985-D1989 PolarHBondContact O-N 3.44Å; D1989-T1993 WeakPolarHBondContact O-CB 3.27Å; D1989-T1993 PolarHBondContact O-N 2.88Å; D1989-T1993 VanDerWaalsContact O-N 3.09Å; D1989-T1993 PolarHBondContact O-OG1 2.96Å; D1989-F2002 HydrophobicContact CB-CZ 4.34Å
1990W90.5Very high86.8Confident86 Ų8658.4 Ų58.433%0.32629%0.291SS..Hα-helixtrans-66.2-40.2171.417982.1000113.3T1986 A1987 I1988 W1992 M1997 L1999 F2002T1986-W1990 VanDerWaalsContact O-CB 3.26Å; T1986-W1990 WeakPolarHBondContact O-CB 3.36Å; T1986-W1990 PolarHBondContact O-N 3.28Å; A1987-W1990 PolarHBondContact O-N 3.48Å; I1988-W1990 VanDerWaalsContact C-N 3.29Å; I1988-W1990 PolarHBondContact O-N 3.16Å; W1990-W1992 VanDerWaalsContact C-N 3.32Å; W1990-W1992 PolarHBondContact O-N 2.81Å; W1990-M1997 PolarHBondContact NE1-O 2.77Å; W1990-L1999 HydrophobicContact CB-CD1 4.18Å; W1990-L1999 HydrophobicContact CD2-CB 4.28Å; W1990-L1999 HydrophobicContact CD2-CD1 3.72Å; W1990-L1999 HydrophobicContact CE3-CD1 3.76Å; W1990-L1999 HydrophobicContact CG-CD1 3.9Å; W1990-L1999 HydrophobicContact CH2-CB 4.43Å; W1990-L1999 HydrophobicContact CZ2-CB 4.16Å; W1990-L1999 HydrophobicContact CZ3-CD1 4.42Å; W1990-F2002 HydrophobicContact CB-CD1 4.21Å; W1990-F2002 HydrophobicContact CB-CD2 4.3Å; W1990-F2002 HydrophobicContact CB-CE1 4.21Å; W1990-F2002 HydrophobicContact CB-CE2 4.26Å; W1990-F2002 HydrophobicContact CB-CG 4.26Å; W1990-F2002 HydrophobicContact CB-CZ 4.23Å; W1990-F2002 AromaticContact CD1-CD2 3.7Å; W1990-F2002 AromaticContact CD1-CG 3.87Å; W1990-F2002 HydrophobicContact CG-CD2 4.41Å; W1990-F2002 HydrophobicContact CG-CG 4.42Å
1991T89.9Confident87.1Confident77 Ų7750.9 Ų50.947%0.47226%0.259SS..Hα-helixtrans-70.1-21.7-17953.40000115.2A1987 I1988A1987-T1991 WeakPolarHBondContact O-CG2 3.43Å; A1987-T1991 PolarHBondContact O-N 2.93Å; A1987-T1991 PolarHBondContact O-OG1 3.13Å; I1988-T1991 WeakPolarHBondContact CA-OG1 3.48Å; I1988-T1991 PolarHBondContact O-N 3.38Å; I1988-T1991 VanDerWaalsContact O-N 3.12Å; I1988-T1991 PolarHBondContact O-OG1 3.39Å
1992W87.5Confident87.5Confident96 Ų9649.2 Ų49.236%0.36425%0.25SC..Hα-helixtrans-118.1-7.5-175-65.6108.3000115A1886 L1889 R1890 I1988 W1990A1886-W1992 HydrophobicContact CB-CD2 3.96Å; A1886-W1992 HydrophobicContact CB-CG 4.2Å; A1886-W1992 HydrophobicContact CB-CZ2 4Å; L1889-W1992 HydrophobicContact CB-CB 4.06Å; L1889-W1992 HydrophobicContact CD1-CB 3.78Å; R1890-W1992 HydrophobicContact CG-CE3 4.31Å; I1988-W1992 PolarHBondContact O-N 3.37Å; W1990-W1992 VanDerWaalsContact C-N 3.32Å; W1990-W1992 PolarHBondContact O-N 2.81Å
1993T84.1Confident87.8Confident47 Ų4750.1 Ų50.129%0.28825%0.254SS..SBendtrans-99.5133.1173.1-48.20000109.6D1989 T1995 R2401D1989-T1993 WeakPolarHBondContact O-CB 3.27Å; D1989-T1993 PolarHBondContact O-N 2.88Å; D1989-T1993 VanDerWaalsContact O-N 3.09Å; D1989-T1993 PolarHBondContact O-OG1 2.96Å; T1993-T1995 PolarHBondContact O-N 3.22Å; T1993-R2401 HydrophobicContact CG2-CG 4.24Å
1994D85.9Confident88Confident67 Ų6748.9 Ų48.936%0.35825%0.25SS..  trans-68.1118.1172.9-49.4-32.6000108.9R1890 K2404 F2406R1890-D1994 IonicContact NH1-OD1 2.79Å; D1994-K2404 WeakPolarHBondContact OD2-CE 3.27Å; D1994-K2404 IonicContact OD2-NZ 3.24Å; D1994-K2404 PolarHBondContact OD2-NZ 2.99Å; D1994-F2406 HydrophobicContact CB-CE1 4.49Å; D1994-F2406 HydrophobicContact CB-CZ 3.94Å; D1994-F2406 WeakPolarHBondContact O-CE1 3.38Å
1995T87.9Confident88.2Confident31 Ų3144.4 Ų44.419%0.1923%0.227CC..  trans-150.8153.8179.41760000110T1993 M1997 F2002 E2409T1993-T1995 PolarHBondContact O-N 3.22Å; T1995-M1997 PolarHBondContact OG1-N 3.12Å; T1995-F2002 HydrophobicContact CG2-CD2 4.18Å; T1995-F2002 HydrophobicContact CG2-CE2 4.27Å; T1995-E2409 VanDerWaalsContact OG1-CD 3.32Å; T1995-E2409 PolarHBondContact OG1-OE1 3.24Å; T1995-E2409 PolarHBondContact OG1-OE2 3.33Å
1996S86.7Confident88.3Confident36 Ų3642.3 Ų42.325%0.25222%0.219SC..SBendtrans-96.4-6.9175.766.50000114.4F2406 E2409 Q2410S1996-F2406 PolarHBondContact OG-O 2.97Å; S1996-E2409 PolarHBondContact N-OE2 3.03Å; S1996-E2409 PolarHBondContact OG-OE2 3.13Å; S1996-Q2410 VanDerWaalsContact CB-NE2 3.34Å; S1996-Q2410 WeakPolarHBondContact OG-CG 3.34Å; S1996-Q2410 PolarHBondContact OG-NE2 3.07Å
1997M85.2Confident88.4Confident4 Ų445.6 Ų45.62%0.0224%0.236CC..SBendtrans-75.6134179-61.9-170.3-172.800111.6W1990 T1995 F2002 M2005 I2397 R2401 E2409 F2413W1990-M1997 PolarHBondContact NE1-O 2.77Å; T1995-M1997 PolarHBondContact OG1-N 3.12Å; M1997-F2002 HydrophobicContact CB-CB 4.38Å; M1997-M2005 HydrophobicContact CE-CG 4.49Å; M1997-M2005 HydrophobicContact SD-CB 4.4Å; M1997-I2397 HydrophobicContact CE-CG2 3.74Å; M1997-R2401 PolarHBondContact SD-NH2 2.95Å; M1997-E2409 HydrophobicContact CE-CG 3.54Å; M1997-E2409 HydrophobicContact CG-CG 4.3Å; M1997-F2413 HydrophobicContact CE-CB 3.6Å; M1997-F2413 HydrophobicContact CE-CD1 4.38Å; M1997-F2413 HydrophobicContact CE-CD2 3.98Å; M1997-F2413 HydrophobicContact CE-CG 3.74Å; M1997-F2413 HydrophobicContact SD-CD1 4.49Å; M1997-F2413 HydrophobicContact SD-CD2 4.3Å; M1997-F2413 HydrophobicContact SD-CG 4.26Å
1998P89.4Confident88.4Confident54 Ų5446.5 Ų46.535%0.35124%0.235SC..  trans-68.2150.4167.630.5-33.5000110.5Y1390 F2000 D2001 F2002Y1390-P1998 HydrophobicContact CD1-CG 4.41Å; Y1390-P1998 HydrophobicContact CE1-CG 3.6Å; Y1390-P1998 WeakPolarHBondContact OH-CD 3.15Å; P1998-F2000 VanDerWaalsContact C-N 3.34Å; P1998-F2000 PolarHBondContact O-N 3.3Å; P1998-F2000 VanDerWaalsContact O-N 3.11Å; P1998-D2001 HydrophobicContact CG-CB 4.1Å; P1998-D2001 PolarHBondContact O-N 3.36Å; P1998-F2002 PolarHBondContact O-N 3.24Å; P1998-F2002 VanDerWaalsContact O-N 3.12Å
1999L88.3Confident88.5Confident52 Ų5246.2 Ų46.227%0.27223%0.232SC..Hα-helixtrans-43.1-51.1-172-177.264.7000114.4W1990 D2001 F2002 F2003W1990-L1999 HydrophobicContact CB-CD1 4.18Å; W1990-L1999 HydrophobicContact CD2-CB 4.28Å; W1990-L1999 HydrophobicContact CD2-CD1 3.72Å; W1990-L1999 HydrophobicContact CE3-CD1 3.76Å; W1990-L1999 HydrophobicContact CG-CD1 3.9Å; W1990-L1999 HydrophobicContact CH2-CB 4.43Å; W1990-L1999 HydrophobicContact CZ2-CB 4.16Å; W1990-L1999 HydrophobicContact CZ3-CD1 4.42Å; L1999-D2001 VanDerWaalsContact C-N 3.27Å; L1999-D2001 PolarHBondContact O-N 2.85Å; L1999-F2002 WeakPolarHBondContact O-CB 3.36Å; L1999-F2002 PolarHBondContact O-N 3.29Å; L1999-F2003 HydrophobicContact CD1-CD2 3.96Å; L1999-F2003 HydrophobicContact CD1-CE2 3.73Å; L1999-F2003 HydrophobicContact CD2-CE2 4.47Å; L1999-F2003 HydrophobicContact CG-CD2 3.94Å; L1999-F2003 HydrophobicContact CG-CE2 3.92Å; L1999-F2003 WeakPolarHBondContact O-CD2 3.42Å; L1999-F2003 PolarHBondContact O-N 3.09Å
2000F89.2Confident88.5Confident165 Ų16545.8 Ų45.872%0.72423%0.23SC*.Hα-helixtrans-63.9-27.9-178.5-66.9-65.8000114.2P1998 F2003 N2004P1998-F2000 VanDerWaalsContact C-N 3.34Å; P1998-F2000 PolarHBondContact O-N 3.3Å; P1998-F2000 VanDerWaalsContact O-N 3.11Å; F2000-F2003 WeakPolarHBondContact O-CB 3.35Å; F2000-N2004 VanDerWaalsContact O-CG 3.22Å; F2000-N2004 PolarHBondContact O-N 3.44Å; F2000-N2004 PolarHBondContact O-ND2 2.63Å
2001D89.8Confident88.4Confident9 Ų945 Ų455%0.04823%0.23CC..Hα-helixtrans-84.4-33177.7-76.9-30.4000112.4Y1390 K1394 P1998 L1999 F2003 N2004 M2005 F2413Y1390-D2001 WeakPolarHBondContact OH-CB 3.38Å; Y1390-D2001 VanDerWaalsContact OH-CG 3.28Å; Y1390-D2001 PolarHBondContact OH-OD2 3.19Å; K1394-D2001 WeakPolarHBondContact CE-OD1 3.21Å; K1394-D2001 WeakPolarHBondContact CE-OD2 3.5Å; K1394-D2001 IonicContact NZ-OD1 3.25Å; K1394-D2001 PolarHBondContact NZ-OD1 3.41Å; K1394-D2001 IonicContact NZ-OD2 2.64Å; K1394-D2001 PolarHBondContact NZ-OD2 3.45Å; P1998-D2001 HydrophobicContact CG-CB 4.1Å; P1998-D2001 PolarHBondContact O-N 3.36Å; L1999-D2001 VanDerWaalsContact C-N 3.27Å; L1999-D2001 PolarHBondContact O-N 2.85Å; D2001-F2003 VanDerWaalsContact C-N 3.3Å; D2001-F2003 PolarHBondContact O-N 3.35Å; D2001-N2004 PolarHBondContact O-N 3.05Å; D2001-N2004 PolarHBondContact OD1-ND2 3.5Å; D2001-M2005 PolarHBondContact O-N 3.29Å; D2001-F2413 HydrophobicContact CB-CE1 3.6Å; D2001-F2413 HydrophobicContact CB-CZ 3.66Å; D2001-F2413 WeakPolarHBondContact O-CZ 3.39Å
2002F90.4Very high88.3Confident3 Ų341.4 Ų41.41%0.01321%0.208CC..Hα-helixtrans-57.8-44.8164.9-169.8-76.8000110.8D1989 W1990 T1995 M1997 P1998 L1999 N2004 M2005 E2006D1989-F2002 HydrophobicContact CB-CZ 4.34Å; W1990-F2002 HydrophobicContact CB-CD1 4.21Å; W1990-F2002 HydrophobicContact CB-CD2 4.3Å; W1990-F2002 HydrophobicContact CB-CE1 4.21Å; W1990-F2002 HydrophobicContact CB-CE2 4.26Å; W1990-F2002 HydrophobicContact CB-CG 4.26Å; W1990-F2002 HydrophobicContact CB-CZ 4.23Å; W1990-F2002 AromaticContact CD1-CD2 3.7Å; W1990-F2002 AromaticContact CD1-CG 3.87Å; W1990-F2002 HydrophobicContact CG-CD2 4.41Å; W1990-F2002 HydrophobicContact CG-CG 4.42Å; T1995-F2002 HydrophobicContact CG2-CD2 4.18Å; T1995-F2002 HydrophobicContact CG2-CE2 4.27Å; M1997-F2002 HydrophobicContact CB-CB 4.38Å; P1998-F2002 PolarHBondContact O-N 3.24Å; P1998-F2002 VanDerWaalsContact O-N 3.12Å; L1999-F2002 WeakPolarHBondContact O-CB 3.36Å; L1999-F2002 PolarHBondContact O-N 3.29Å; F2002-N2004 PolarHBondContact O-N 2.9Å; F2002-M2005 PolarHBondContact O-N 3.18Å; F2002-E2006 HydrophobicContact CD1-CG 4.12Å; F2002-E2006 HydrophobicContact CE1-CG 3.89Å; F2002-E2006 PolarHBondContact O-N 3.14Å
2003F91.6Very high88.4Confident28 Ų2836.9 Ų36.912%0.12319%0.191CC..Hα-helixtrans-58.9-43172-94.6-75.7000113.2E1983 T1986 L1999 F2000 D2001 M2005 N2007E1983-F2003 HydrophobicContact CB-CE1 4.44Å; E1983-F2003 HydrophobicContact CB-CZ 4.48Å; E1983-F2003 WeakPolarHBondContact OE2-CE1 3.34Å; T1986-F2003 WeakPolarHBondContact OG1-CE1 3.15Å; T1986-F2003 WeakPolarHBondContact OG1-CZ 3.5Å; L1999-F2003 HydrophobicContact CD1-CD2 3.96Å; L1999-F2003 HydrophobicContact CD1-CE2 3.73Å; L1999-F2003 HydrophobicContact CD2-CE2 4.47Å; L1999-F2003 HydrophobicContact CG-CD2 3.94Å; L1999-F2003 HydrophobicContact CG-CE2 3.92Å; L1999-F2003 WeakPolarHBondContact O-CD2 3.42Å; L1999-F2003 PolarHBondContact O-N 3.09Å; F2000-F2003 WeakPolarHBondContact O-CB 3.35Å; D2001-F2003 VanDerWaalsContact C-N 3.3Å; D2001-F2003 PolarHBondContact O-N 3.35Å; F2003-M2005 VanDerWaalsContact C-N 3.34Å; F2003-N2007 WeakPolarHBondContact O-CB 3.45Å; F2003-N2007 PolarHBondContact O-N 3.28Å; F2003-N2007 PolarHBondContact O-ND2 3.04Å
2004N89.7Confident88.6Confident68 Ų6835.6 Ų35.636%0.36418%0.182SC..Hα-helixtrans-62.4-42.2175.7-70.8-37.7000111.3F2000 D2001 F2002 N2007 F2008 F2413F2000-N2004 VanDerWaalsContact O-CG 3.22Å; F2000-N2004 PolarHBondContact O-N 3.44Å; F2000-N2004 PolarHBondContact O-ND2 2.63Å; D2001-N2004 PolarHBondContact O-N 3.05Å; D2001-N2004 PolarHBondContact OD1-ND2 3.5Å; F2002-N2004 PolarHBondContact O-N 2.9Å; N2004-N2007 PolarHBondContact O-N 3.28Å; N2004-F2008 HydrophobicContact CB-CE2 4.25Å; N2004-F2008 WeakPolarHBondContact O-CD2 3.2Å; N2004-F2008 WeakPolarHBondContact O-CG 3.38Å; N2004-F2008 PolarHBondContact O-N 3.48Å; N2004-F2413 HydrophobicContact CB-CZ 4.44Å
2005M88.4Confident88.7Confident0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-64.4-48.6179.7-162.5-79.9-71.600112.3M1997 D2001 F2002 F2003 N2007 F2008 Y2009 I2397 Y2398 F2413 L2416M1997-M2005 HydrophobicContact CE-CG 4.49Å; M1997-M2005 HydrophobicContact SD-CB 4.4Å; D2001-M2005 PolarHBondContact O-N 3.29Å; F2002-M2005 PolarHBondContact O-N 3.18Å; F2003-M2005 VanDerWaalsContact C-N 3.34Å; M2005-N2007 VanDerWaalsContact C-N 3.31Å; M2005-N2007 PolarHBondContact O-N 3.04Å; M2005-F2008 PolarHBondContact O-N 2.92Å; M2005-Y2009 PolarHBondContact O-N 3.12Å; M2005-I2397 HydrophobicContact CE-CG2 3.98Å; M2005-I2397 HydrophobicContact CG-CD1 4.41Å; M2005-I2397 HydrophobicContact CG-CG2 4.35Å; M2005-I2397 HydrophobicContact SD-CG2 4.24Å; M2005-Y2398 HydrophobicContact CE-CD1 4.2Å; M2005-Y2398 HydrophobicContact CE-CE1 3.64Å; M2005-Y2398 HydrophobicContact SD-CE1 4.45Å; M2005-F2413 HydrophobicContact CB-CD2 4.12Å; M2005-F2413 HydrophobicContact CB-CE2 3.77Å; M2005-F2413 HydrophobicContact CG-CD2 4.04Å; M2005-F2413 HydrophobicContact CG-CE2 4.19Å; M2005-L2416 HydrophobicContact CG-CD2 4.5Å
2006E88.7Confident88.7Confident5 Ų532.9 Ų32.92%0.02317%0.165CC..Hα-helixtrans-62-37.3175.4-73.6-88.8172.600111.8F1982 R1985 T1986 F2002 Y2009 A2010 Y2398F1982-E2006 HydrophobicContact CZ-CB 4.18Å; R1985-E2006 IonicContact CZ-OE2 3.98Å; R1985-E2006 IonicContact NH1-OE2 2.68Å; R1985-E2006 IonicContact NH2-OE1 3.33Å; R1985-E2006 PolarHBondContact NH2-OE1 3.19Å; R1985-E2006 IonicContact NH2-OE2 2.59Å; R1985-E2006 PolarHBondContact NH2-OE2 3.04Å; T1986-E2006 HydrophobicContact CG2-CB 3.93Å; T1986-E2006 HydrophobicContact CG2-CG 3.84Å; F2002-E2006 HydrophobicContact CD1-CG 4.12Å; F2002-E2006 HydrophobicContact CE1-CG 3.89Å; F2002-E2006 PolarHBondContact O-N 3.14Å; E2006-Y2009 PolarHBondContact O-N 2.96Å; E2006-A2010 VanDerWaalsContact O-CB 3.26Å; E2006-A2010 WeakPolarHBondContact O-CB 3.34Å; E2006-A2010 PolarHBondContact O-N 3.39Å; E2006-Y2398 PolarHBondContact OE1-OH 3.26Å
2007N89.2Confident88.8Confident68 Ų6831.2 Ų31.236%0.36415%0.153SC..Hα-helixtrans-65.2-42.1174.1-83.5-50.4000112.8F2003 N2004 M2005 A2010 H2011F2003-N2007 WeakPolarHBondContact O-CB 3.45Å; F2003-N2007 PolarHBondContact O-N 3.28Å; F2003-N2007 PolarHBondContact O-ND2 3.04Å; N2004-N2007 PolarHBondContact O-N 3.28Å; M2005-N2007 VanDerWaalsContact C-N 3.31Å; M2005-N2007 PolarHBondContact O-N 3.04Å; N2007-A2010 PolarHBondContact O-N 2.97Å; N2007-H2011 PolarHBondContact O-N 2.67Å
2008F89.3Confident88.9Confident52 Ų5232.7 Ų32.723%0.22817%0.166CC..Hα-helixtrans-63-47.8173.9-66.8-45.2000111.3N2004 M2005 A2010 H2011 I2012 L2416 F2420N2004-F2008 HydrophobicContact CB-CE2 4.25Å; N2004-F2008 WeakPolarHBondContact O-CD2 3.2Å; N2004-F2008 WeakPolarHBondContact O-CG 3.38Å; N2004-F2008 PolarHBondContact O-N 3.48Å; M2005-F2008 PolarHBondContact O-N 2.92Å; F2008-A2010 VanDerWaalsContact C-N 3.33Å; F2008-A2010 PolarHBondContact O-N 3.33Å; F2008-H2011 PolarHBondContact O-N 2.91Å; F2008-H2011 VanDerWaalsContact O-N 3.14Å; F2008-I2012 HydrophobicContact CB-CD1 4.48Å; F2008-I2012 WeakPolarHBondContact O-CD1 3.34Å; F2008-I2012 VanDerWaalsContact O-CG1 3.25Å; F2008-I2012 WeakPolarHBondContact O-CG1 3.21Å; F2008-I2012 PolarHBondContact O-N 2.86Å; F2008-L2416 HydrophobicContact CB-CD2 4.35Å; F2008-L2416 HydrophobicContact CD2-CD2 4.08Å; F2008-L2416 HydrophobicContact CD2-CG 4.44Å; F2008-F2420 HydrophobicContact CB-CE2 3.82Å; F2008-F2420 HydrophobicContact CB-CZ 4.28Å; F2008-F2420 AromaticContact CD1-CD2 3.74Å; F2008-F2420 HydrophobicContact CD1-CD2 3.74Å; F2008-F2420 HydrophobicContact CD1-CE1 4.42Å; F2008-F2420 AromaticContact CD1-CE2 3.54Å; F2008-F2420 HydrophobicContact CD1-CE2 3.54Å; F2008-F2420 HydrophobicContact CD1-CG 4.28Å; F2008-F2420 AromaticContact CD1-CZ 3.91Å; F2008-F2420 HydrophobicContact CD1-CZ 3.91Å; F2008-F2420 HydrophobicContact CD2-CD2 4.16Å; F2008-F2420 HydrophobicContact CD2-CE2 4.14Å; F2008-F2420 HydrophobicContact CE1-CB 4.48Å; F2008-F2420 AromaticContact CE1-CD2 3.81Å; F2008-F2420 HydrophobicContact CE1-CD2 3.81Å; F2008-F2420 HydrophobicContact CE1-CE2 4.11Å; F2008-F2420 HydrophobicContact CE1-CG 4.04Å; F2008-F2420 HydrophobicContact CE2-CD2 4.22Å; F2008-F2420 AromaticContact CG-CD2 3.95Å; F2008-F2420 HydrophobicContact CG-CD2 3.95Å; F2008-F2420 AromaticContact CG-CE2 3.58Å; F2008-F2420 HydrophobicContact CG-CE2 3.58Å; F2008-F2420 HydrophobicContact CG-CZ 4.25Å; F2008-F2420 HydrophobicContact CZ-CD2 4.06Å; F2008-F2420 HydrophobicContact CZ-CG 4.42Å
2009Y89.5Confident88.8Confident14 Ų1432.9 Ų32.96%0.05516%0.16CC..Hα-helixtrans-57.2-45.4176.2175.1-108.8000111.7T1961 M2005 E2006 H2011 I2012 F2013 L2391 C2394 L2395 Y2398T1961-Y2009 WeakPolarHBondContact CB-OH 3.47Å; T1961-Y2009 HydrophobicContact CG2-CE1 4.22Å; T1961-Y2009 PolarHBondContact OG1-OH 2.98Å; M2005-Y2009 PolarHBondContact O-N 3.12Å; E2006-Y2009 PolarHBondContact O-N 2.96Å; Y2009-H2011 VanDerWaalsContact C-N 3.33Å; Y2009-H2011 PolarHBondContact O-N 3.43Å; Y2009-I2012 PolarHBondContact O-N 2.99Å; Y2009-F2013 VanDerWaalsContact O-CB 3.23Å; Y2009-F2013 WeakPolarHBondContact O-CB 3.21Å; Y2009-F2013 PolarHBondContact O-N 3.25Å; Y2009-L2391 HydrophobicContact CD2-CD1 3.92Å; Y2009-L2391 HydrophobicContact CE2-CD1 3.6Å; Y2009-C2394 HydrophobicContact CD2-CB 3.7Å; Y2009-C2394 HydrophobicContact CG-CB 4.45Å; Y2009-L2395 HydrophobicContact CE2-CD2 4.49Å; Y2009-Y2398 HydrophobicContact CD1-CE2 4.2Å; Y2009-Y2398 WeakPolarHBondContact CD1-OH 3.45Å; Y2009-Y2398 AromaticContact CD2-CE2 3.91Å; Y2009-Y2398 HydrophobicContact CD2-CE2 3.91Å; Y2009-Y2398 HydrophobicContact CE1-CE2 4.34Å; Y2009-Y2398 HydrophobicContact CE2-CE2 4.03Å; Y2009-Y2398 AromaticContact CG-CE2 3.99Å; Y2009-Y2398 HydrophobicContact CG-CE2 3.99Å
2010A87.8Confident88.5Confident0 Ų034.5 Ų34.50%017%0.166CC..Hα-helixtrans-60.7-39.3176.400000112.7F1972 M1976 E2006 N2007 F2008 N2014F1972-A2010 HydrophobicContact CE1-CB 3.78Å; F1972-A2010 HydrophobicContact CZ-CB 3.68Å; M1976-A2010 HydrophobicContact CE-CB 3.89Å; M1976-A2010 HydrophobicContact SD-CB 4.05Å; E2006-A2010 VanDerWaalsContact O-CB 3.26Å; E2006-A2010 WeakPolarHBondContact O-CB 3.34Å; E2006-A2010 PolarHBondContact O-N 3.39Å; N2007-A2010 PolarHBondContact O-N 2.97Å; F2008-A2010 VanDerWaalsContact C-N 3.33Å; F2008-A2010 PolarHBondContact O-N 3.33Å; A2010-N2014 PolarHBondContact O-N 3.45Å; A2010-N2014 PolarHBondContact O-ND2 3.39Å
2011H87.1Confident88.1Confident70 Ų7030.1 Ų30.132%0.32415%0.147SC..Hα-helixtrans-69.9-47.2176.9-164.3-88.4000112N2007 F2008 Y2009 F2013 N2014 I2015 F2381N2007-H2011 PolarHBondContact O-N 2.67Å; F2008-H2011 PolarHBondContact O-N 2.91Å; F2008-H2011 VanDerWaalsContact O-N 3.14Å; Y2009-H2011 VanDerWaalsContact C-N 3.33Å; Y2009-H2011 PolarHBondContact O-N 3.43Å; H2011-F2013 PolarHBondContact O-N 2.72Å; H2011-N2014 PolarHBondContact O-N 3.12Å; H2011-I2015 WeakPolarHBondContact O-CG1 3.49Å; H2011-I2015 PolarHBondContact O-N 3.04Å; H2011-F2381 PolarHBondContact CE1-O 3.44Å
2012I89.2Confident87.7Confident1 Ų134.8 Ų34.81%0.00517%0.168CC..Hα-helixtrans-60.7-45.4178.1-64.9158.3000110.9F2008 Y2009 N2014 I2015 K2016 A2387 L2390 L2391 C2394 F2420F2008-I2012 HydrophobicContact CB-CD1 4.48Å; F2008-I2012 WeakPolarHBondContact O-CD1 3.34Å; F2008-I2012 VanDerWaalsContact O-CG1 3.25Å; F2008-I2012 WeakPolarHBondContact O-CG1 3.21Å; F2008-I2012 PolarHBondContact O-N 2.86Å; Y2009-I2012 PolarHBondContact O-N 2.99Å; I2012-N2014 VanDerWaalsContact C-N 3.32Å; I2012-N2014 PolarHBondContact O-N 2.86Å; I2012-I2015 PolarHBondContact O-N 2.67Å; I2012-I2015 VanDerWaalsContact O-N 3.11Å; I2012-K2016 PolarHBondContact O-N 3.32Å; I2012-A2387 HydrophobicContact CG2-CB 4.36Å; I2012-L2390 HydrophobicContact CD1-CB 3.83Å; I2012-L2390 HydrophobicContact CG1-CB 4.12Å; I2012-L2390 HydrophobicContact CG1-CD1 4.47Å; I2012-L2390 HydrophobicContact CG2-CB 4.05Å; I2012-L2391 HydrophobicContact CG2-CB 3.8Å; I2012-L2391 HydrophobicContact CG2-CD1 4.13Å; I2012-C2394 VanDerWaalsContact CD1-SG 3.55Å; I2012-F2420 HydrophobicContact CD1-CE2 4.29Å; I2012-F2420 HydrophobicContact CD1-CZ 3.97Å; I2012-F2420 HydrophobicContact CG1-CZ 4.19Å
2013F88.5Confident86.9Confident0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-57.9-42.7177.6174.8-98.3000112.4L1960 T1961 Y1964 N1968 F1972 Y2009 H2011 I2015 K2016 C2017L1960-F2013 WeakPolarHBondContact O-CZ 3.32Å; T1961-F2013 VanDerWaalsContact CA-CE2 3.41Å; T1961-F2013 HydrophobicContact CG2-CD1 3.95Å; T1961-F2013 HydrophobicContact CG2-CD2 3.93Å; T1961-F2013 HydrophobicContact CG2-CE1 3.9Å; T1961-F2013 HydrophobicContact CG2-CE2 3.89Å; T1961-F2013 HydrophobicContact CG2-CG 3.97Å; T1961-F2013 HydrophobicContact CG2-CZ 3.88Å; T1961-F2013 WeakPolarHBondContact O-CE2 3.4Å; Y1964-F2013 AromaticContact CD1-CD2 3.88Å; Y1964-F2013 HydrophobicContact CD1-CD2 3.88Å; Y1964-F2013 AromaticContact CD1-CE2 3.52Å; Y1964-F2013 HydrophobicContact CD1-CE2 3.52Å; Y1964-F2013 AromaticContact CE1-CD2 3.78Å; Y1964-F2013 HydrophobicContact CE1-CD2 3.78Å; Y1964-F2013 AromaticContact CE1-CE2 3.7Å; Y1964-F2013 HydrophobicContact CE1-CE2 3.7Å; N1968-F2013 HydrophobicContact CB-CZ 4.5Å; F1972-F2013 HydrophobicContact CB-CD1 4.47Å; F1972-F2013 HydrophobicContact CB-CE1 3.9Å; F1972-F2013 AromaticContact CD1-CD1 3.53Å; F1972-F2013 HydrophobicContact CD1-CD1 3.53Å; F1972-F2013 AromaticContact CD1-CE1 3.84Å; F1972-F2013 HydrophobicContact CD1-CE1 3.84Å; F1972-F2013 HydrophobicContact CD2-CE1 4.49Å; F1972-F2013 AromaticContact CE1-CD1 3.8Å; F1972-F2013 HydrophobicContact CE1-CD1 3.8Å; F1972-F2013 AromaticContact CG-CD1 3.94Å; F1972-F2013 HydrophobicContact CG-CD1 3.94Å; F1972-F2013 AromaticContact CG-CE1 3.83Å; F1972-F2013 HydrophobicContact CG-CE1 3.83Å; F1972-F2013 HydrophobicContact CZ-CD1 4.44Å; Y2009-F2013 VanDerWaalsContact O-CB 3.23Å; Y2009-F2013 WeakPolarHBondContact O-CB 3.21Å; Y2009-F2013 PolarHBondContact O-N 3.25Å; H2011-F2013 PolarHBondContact O-N 2.72Å; F2013-I2015 VanDerWaalsContact C-N 3.31Å; F2013-I2015 PolarHBondContact O-N 2.93Å; F2013-K2016 PolarHBondContact O-N 2.98Å; F2013-C2017 VanDerWaalsContact CE1-SG 3.54Å; F2013-C2017 WeakPolarHBondContact CZ-SG 3.45Å; F2013-C2017 PolarHBondContact O-N 3.01Å; F2013-C2017 PolarHBondContact O-SG 3.08Å
2014N88.6Confident85.9Confident21 Ų2138.2 Ų38.211%0.11220%0.202CC..Hα-helixtrans-63.1-35.9176.8-85.6-67000112.5K1973 A2010 H2011 I2012 A2018K1973-N2014 WeakPolarHBondContact CE-OD1 3.32Å; K1973-N2014 WeakPolarHBondContact CG-OD1 3.34Å; A2010-N2014 PolarHBondContact O-N 3.45Å; A2010-N2014 PolarHBondContact O-ND2 3.39Å; H2011-N2014 PolarHBondContact O-N 3.12Å; I2012-N2014 VanDerWaalsContact C-N 3.32Å; I2012-N2014 PolarHBondContact O-N 2.86Å; N2014-A2018 PolarHBondContact O-N 3.34Å; N2014-A2018 VanDerWaalsContact O-N 3.11Å
2015I88.9Confident85.1Confident13 Ų1337.8 Ų37.87%0.06720%0.196CC..Hα-helixtrans-70.4-45.1175-60.9161.1000110.6H2011 I2012 F2013 C2017 A2018 R2019 F2381 L2384 A2387H2011-I2015 WeakPolarHBondContact O-CG1 3.49Å; H2011-I2015 PolarHBondContact O-N 3.04Å; I2012-I2015 PolarHBondContact O-N 2.67Å; I2012-I2015 VanDerWaalsContact O-N 3.11Å; F2013-I2015 VanDerWaalsContact C-N 3.31Å; F2013-I2015 PolarHBondContact O-N 2.93Å; I2015-C2017 VanDerWaalsContact C-N 3.28Å; I2015-C2017 PolarHBondContact O-N 3.49Å; I2015-A2018 WeakPolarHBondContact O-CA 3.29Å; I2015-A2018 WeakPolarHBondContact O-CB 3.39Å; I2015-A2018 PolarHBondContact O-N 3.47Å; I2015-R2019 HydrophobicContact CG2-CG 4.29Å; I2015-R2019 PolarHBondContact O-N 3.29Å; I2015-F2381 WeakPolarHBondContact CD1-O 3.34Å; I2015-L2384 HydrophobicContact CD1-CD1 4.16Å; I2015-A2387 HydrophobicContact CB-CB 4.4Å; I2015-A2387 HydrophobicContact CG2-CB 4.03Å
2016K88Confident84.2Confident28 Ų2839.3 Ų39.312%0.12221%0.206CC..Hα-helixtrans-55.8-44.7176.4178.555.6167-177.70111.3Y1964 I2012 F2013 A2018 R2019 Q2020 D2388 L2391Y1964-K2016 HydrophobicContact CD1-CB 4.24Å; Y1964-K2016 HydrophobicContact CD1-CG 3.49Å; Y1964-K2016 VanDerWaalsContact CD1-CG 3.49Å; Y1964-K2016 HydrophobicContact CD2-CG 4.11Å; Y1964-K2016 HydrophobicContact CE1-CG 3.89Å; Y1964-K2016 HydrophobicContact CE2-CG 4.44Å; Y1964-K2016 HydrophobicContact CG-CG 3.63Å; I2012-K2016 PolarHBondContact O-N 3.32Å; F2013-K2016 PolarHBondContact O-N 2.98Å; K2016-A2018 PolarHBondContact O-N 3.37Å; K2016-R2019 PolarHBondContact O-N 3.09Å; K2016-Q2020 WeakPolarHBondContact O-CB 3.26Å; K2016-Q2020 PolarHBondContact O-N 2.96Å; K2016-D2388 VanDerWaalsContact CD-OD1 3.23Å; K2016-D2388 WeakPolarHBondContact CD-OD1 3.41Å; K2016-D2388 VanDerWaalsContact CE-OD1 3.27Å; K2016-D2388 WeakPolarHBondContact CE-OD1 3.18Å; K2016-D2388 IonicContact NZ-OD1 3.24Å; K2016-D2388 PolarHBondContact NZ-OD1 3.39Å; K2016-D2388 IonicContact NZ-OD2 2.83Å; K2016-D2388 PolarHBondContact NZ-OD2 3.46Å; K2016-L2391 HydrophobicContact CB-CD2 4.24Å; K2016-L2391 HydrophobicContact CG-CD2 3.98Å
2017C88.8Confident83.3Confident0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-64.4-36.7175-62.40000113.3M1969 F2013 I2015 F2021M1969-C2017 HydrophobicContact CB-CB 3.72Å; M1969-C2017 HydrophobicContact CG-CB 4.05Å; M1969-C2017 HydrophobicContact SD-CB 4.21Å; F2013-C2017 VanDerWaalsContact CE1-SG 3.54Å; F2013-C2017 WeakPolarHBondContact CZ-SG 3.45Å; F2013-C2017 PolarHBondContact O-N 3.01Å; F2013-C2017 PolarHBondContact O-SG 3.08Å; I2015-C2017 VanDerWaalsContact C-N 3.28Å; I2015-C2017 PolarHBondContact O-N 3.49Å; C2017-F2021 WeakPolarHBondContact O-CB 3.44Å; C2017-F2021 PolarHBondContact O-N 2.94Å
2018A86.7Confident82.2Confident35 Ų3541.7 Ų41.729%0.28923%0.232SC..Hα-helixtrans-65.7-46.1176.600000111.7N2014 I2015 K2016 F2021 E2022N2014-A2018 PolarHBondContact O-N 3.34Å; N2014-A2018 VanDerWaalsContact O-N 3.11Å; I2015-A2018 WeakPolarHBondContact O-CA 3.29Å; I2015-A2018 WeakPolarHBondContact O-CB 3.39Å; I2015-A2018 PolarHBondContact O-N 3.47Å; K2016-A2018 PolarHBondContact O-N 3.37Å; A2018-F2021 WeakPolarHBondContact O-CB 3.48Å; A2018-F2021 PolarHBondContact O-N 3.18Å; A2018-E2022 WeakPolarHBondContact O-CG 3.37Å; A2018-E2022 PolarHBondContact O-N 3.25Å
2019R86.7Confident81.2Confident59 Ų5951.3 Ų51.322%0.22327%0.267CS..Hα-helixtrans-66.8-37176.2-59.4-51.4-178.6-153.7-4.2112.3I2015 K2016 F2021 E2022 A2023 E2383 L2384I2015-R2019 HydrophobicContact CG2-CG 4.29Å; I2015-R2019 PolarHBondContact O-N 3.29Å; K2016-R2019 PolarHBondContact O-N 3.09Å; R2019-F2021 VanDerWaalsContact C-N 3.33Å; R2019-F2021 PolarHBondContact O-N 2.92Å; R2019-E2022 WeakPolarHBondContact CD-OE2 3.46Å; R2019-E2022 IonicContact CZ-OE2 2.69Å; R2019-E2022 IonicContact NE-OE2 2.72Å; R2019-E2022 IonicContact NH1-OE1 3.09Å; R2019-E2022 PolarHBondContact NH1-OE1 3.31Å; R2019-E2022 IonicContact NH1-OE2 3.4Å; R2019-E2022 PolarHBondContact NH1-OE2 2.99Å; R2019-E2022 PolarHBondContact O-N 3.03Å; R2019-A2023 PolarHBondContact O-N 2.74Å; R2019-E2383 IonicContact CZ-OE2 2.7Å; R2019-E2383 IonicContact NH1-OE2 2.66Å; R2019-E2383 IonicContact NH2-OE2 3.98Å; R2019-E2383 PolarHBondContact NH2-OE2 2.94Å; R2019-L2384 PolarHBondContact NE-O 3.35Å; R2019-L2384 PolarHBondContact NH2-O 3.47Å; R2019-L2384 VanDerWaalsContact NH2-O 3.1Å
2020Q81.9Confident80.2Confident86 Ų8654.5 Ų54.540%0.40230%0.304SS..Hα-helixtrans-65.1-36.4173.3-164.968.926.600112.1Y1964 K2016 A2023 A2024Y1964-Q2020 WeakPolarHBondContact O-CB 3.21Å; K2016-Q2020 WeakPolarHBondContact O-CB 3.26Å; K2016-Q2020 PolarHBondContact O-N 2.96Å; Q2020-A2023 PolarHBondContact O-N 2.98Å; Q2020-A2024 WeakPolarHBondContact O-CB 3.16Å; Q2020-A2024 PolarHBondContact O-N 3.37Å
2021F82.1Confident79.2Confident73 Ų7359.6 Ų59.632%0.3233%0.33SS..Hα-helixtrans-66.9-41.9172.7171.5-95.1000112.1M1966 C2017 A2018 R2019 A2023 A2024 Y2025M1966-F2021 HydrophobicContact CB-CD2 4.1Å; M1966-F2021 HydrophobicContact CG-CD2 4.29Å; M1966-F2021 HydrophobicContact CG-CE2 4.5Å; M1966-F2021 HydrophobicContact SD-CD2 3.98Å; M1966-F2021 HydrophobicContact SD-CE2 3.62Å; C2017-F2021 WeakPolarHBondContact O-CB 3.44Å; C2017-F2021 PolarHBondContact O-N 2.94Å; A2018-F2021 WeakPolarHBondContact O-CB 3.48Å; A2018-F2021 PolarHBondContact O-N 3.18Å; R2019-F2021 VanDerWaalsContact C-N 3.33Å; R2019-F2021 PolarHBondContact O-N 2.92Å; F2021-A2023 VanDerWaalsContact C-N 3.3Å; F2021-A2023 PolarHBondContact O-N 2.98Å; F2021-A2024 PolarHBondContact O-N 2.88Å; F2021-Y2025 AromaticContact CD2-CD2 3.45Å; F2021-Y2025 HydrophobicContact CD2-CD2 3.45Å; F2021-Y2025 VanDerWaalsContact CD2-CD2 3.45Å; F2021-Y2025 AromaticContact CD2-CE2 3.79Å; F2021-Y2025 HydrophobicContact CD2-CE2 3.79Å; F2021-Y2025 HydrophobicContact CD2-CG 4.46Å; F2021-Y2025 AromaticContact CE2-CD2 3.4Å; F2021-Y2025 HydrophobicContact CE2-CD2 3.4Å; F2021-Y2025 VanDerWaalsContact CE2-CD2 3.4Å; F2021-Y2025 AromaticContact CE2-CE2 3.78Å; F2021-Y2025 HydrophobicContact CE2-CE2 3.78Å; F2021-Y2025 HydrophobicContact CE2-CG 4.07Å; F2021-Y2025 HydrophobicContact CG-CD2 4.28Å; F2021-Y2025 HydrophobicContact CZ-CD2 4.2Å; F2021-Y2025 PolarHBondContact O-N 2.85Å
2022E80Confident78.4Confident106 Ų10661.3 Ų61.350%0.49535%0.347SS..Hα-helixtrans-62.1-36.5174.8-72.3175.8154.600112.3A2018 R2019A2018-E2022 WeakPolarHBondContact O-CG 3.37Å; A2018-E2022 PolarHBondContact O-N 3.25Å; R2019-E2022 WeakPolarHBondContact CD-OE2 3.46Å; R2019-E2022 IonicContact CZ-OE2 2.69Å; R2019-E2022 IonicContact NE-OE2 2.72Å; R2019-E2022 IonicContact NH1-OE1 3.09Å; R2019-E2022 PolarHBondContact NH1-OE1 3.31Å; R2019-E2022 IonicContact NH1-OE2 3.4Å; R2019-E2022 PolarHBondContact NH1-OE2 2.99Å; R2019-E2022 PolarHBondContact O-N 3.03Å
2023A74.7Confident77.5Confident62 Ų6269.2 Ų69.251%0.51238%0.381SS..Hα-helixtrans-69.2-43.8173.100000112.8R2019 Q2020 F2021 Y2025R2019-A2023 PolarHBondContact O-N 2.74Å; Q2020-A2023 PolarHBondContact O-N 2.98Å; F2021-A2023 VanDerWaalsContact C-N 3.3Å; F2021-A2023 PolarHBondContact O-N 2.98Å; A2023-Y2025 VanDerWaalsContact C-N 3.34Å; A2023-Y2025 PolarHBondContact O-N 3.35Å
2024A69.7Low76.6Confident41 Ų4170.1 Ų70.134%0.33939%0.391SS..Hα-helixtrans-73.7-19.9-177.700000114.6Q2020 F2021Q2020-A2024 WeakPolarHBondContact O-CB 3.16Å; Q2020-A2024 PolarHBondContact O-N 3.37Å; F2021-A2024 PolarHBondContact O-N 2.88Å
2025Y73.2Confident76Confident60 Ų6075.8 Ų75.824%0.23541%0.414CS..SBendtrans-12961.6-178.8-65-82.6000111.8Q1436 Y1439 F2021 A2023 A2027Q1436-Y2025 HydrophobicContact CG-CE1 4.39Å; Y1439-Y2025 AromaticContact CD1-CD1 3.75Å; Y1439-Y2025 HydrophobicContact CD1-CD1 3.75Å; Y1439-Y2025 HydrophobicContact CD2-CD1 4.23Å; Y1439-Y2025 HydrophobicContact CE1-CD1 4.16Å; Y1439-Y2025 AromaticContact CG-CD1 3.78Å; Y1439-Y2025 HydrophobicContact CG-CD1 3.78Å; Y1439-Y2025 HydrophobicContact CG-CE1 4.4Å; Y1439-Y2025 PolarHBondContact OH-O 3.13Å; Y1439-Y2025 VanDerWaalsContact OH-O 3.1Å; F2021-Y2025 AromaticContact CD2-CD2 3.45Å; F2021-Y2025 HydrophobicContact CD2-CD2 3.45Å; F2021-Y2025 VanDerWaalsContact CD2-CD2 3.45Å; F2021-Y2025 AromaticContact CD2-CE2 3.79Å; F2021-Y2025 HydrophobicContact CD2-CE2 3.79Å; F2021-Y2025 HydrophobicContact CD2-CG 4.46Å; F2021-Y2025 AromaticContact CE2-CD2 3.4Å; F2021-Y2025 HydrophobicContact CE2-CD2 3.4Å; F2021-Y2025 VanDerWaalsContact CE2-CD2 3.4Å; F2021-Y2025 AromaticContact CE2-CE2 3.78Å; F2021-Y2025 HydrophobicContact CE2-CE2 3.78Å; F2021-Y2025 HydrophobicContact CE2-CG 4.07Å; F2021-Y2025 HydrophobicContact CG-CD2 4.28Å; F2021-Y2025 HydrophobicContact CZ-CD2 4.2Å; F2021-Y2025 PolarHBondContact O-N 2.85Å; A2023-Y2025 VanDerWaalsContact C-N 3.34Å; A2023-Y2025 PolarHBondContact O-N 3.35Å; Y2025-A2027 PolarHBondContact O-N 2.81Å
2026P70.5Confident75.1Confident32 Ų3278.6 Ų78.621%0.20843%0.429CS..PPolyproline II helixtrans-59.2133.7-171.224.9-34.6000112.2L1469L1469-P2026 HydrophobicContact CD1-CB 4.25Å; L1469-P2026 HydrophobicContact CD1-CG 4.26Å
2027A68.3Low74.4Confident80 Ų8080.6 Ų80.666%0.66144%0.444SS*.PPolyproline II helixtrans-99.6126.8179.200000111.1Y2025 R2029Y2025-A2027 PolarHBondContact O-N 2.81Å; A2027-R2029 PolarHBondContact O-N 3.4Å
2028P66.7Low73.9Confident42 Ų4286.4 Ų86.427%0.27347%0.469SS..PPolyproline II helixtrans-68.1126.1-176.726.1-34.2000112.2V1472 G2030 I2031V1472-P2028 HydrophobicContact CG1-CG 3.93Å; P2028-G2030 PolarHBondContact O-N 3.21Å; P2028-I2031 HydrophobicContact CB-CD1 3.8Å; P2028-I2031 HydrophobicContact CB-CG1 4.11Å; P2028-I2031 HydrophobicContact CG-CB 4.17Å; P2028-I2031 HydrophobicContact CG-CD1 3.73Å; P2028-I2031 HydrophobicContact CG-CG1 4.12Å; P2028-I2031 PolarHBondContact O-N 3.18Å
2029R69.4Low73.5Confident255 Ų25592.7 Ų92.796%0.96249%0.486SS*.THydrogen-bonded Turntrans-62.3130.2-177.5-174177.6179.8-177.9-0.1111.2A2027A2027-R2029 PolarHBondContact O-N 3.4Å
2030G68Low72.9Confident80 Ų8096.3 Ų96.383%0.82551%0.507SS*.THydrogen-bonded Turntrans87.7-7.2175.500000115.7P2028P2028-G2030 PolarHBondContact O-N 3.21Å
2031I66.6Low72.7Confident108 Ų10898.9 Ų98.955%0.55452%0.521SS*.PPolyproline II helixtrans-85.2133.9177-57-165.5000110.1P2028 K2033P2028-I2031 HydrophobicContact CB-CD1 3.8Å; P2028-I2031 HydrophobicContact CB-CG1 4.11Å; P2028-I2031 HydrophobicContact CG-CB 4.17Å; P2028-I2031 HydrophobicContact CG-CD1 3.73Å; P2028-I2031 HydrophobicContact CG-CG1 4.12Å; P2028-I2031 PolarHBondContact O-N 3.18Å; I2031-K2033 PolarHBondContact O-N 3.47Å
2032P69.2Low72.5Confident106 Ų10696.8 Ų96.869%0.68852%0.52SS*.PPolyproline II helixtrans-67.4130.8176.327.3-34.7000111.1G2034P2032-G2034 PolarHBondContact O-N 3.29Å
2033K71.5Confident72.6Confident166 Ų16697.9 Ų97.972%0.72252%0.524SS*.PPolyproline II helixtrans-49.7127174.1-72.3-167.5177-173.10110.9I2031 K2038I2031-K2033 PolarHBondContact O-N 3.47Å; K2033-K2038 VanDerWaalsContact O-CE 3.22Å; K2033-K2038 WeakPolarHBondContact O-CE 3.34Å; K2033-K2038 PolarHBondContact O-NZ 3.31Å
2034G68.7Low72.8Confident19 Ų1998.3 Ų98.320%0.19652%0.521CS..PPolyproline II helixtrans-53.8152.2-173.800000113.7P2032 L2036 V2037P2032-G2034 PolarHBondContact O-N 3.29Å; G2034-L2036 VanDerWaalsContact C-N 3.33Å; G2034-L2036 PolarHBondContact O-N 2.95Å; G2034-V2037 PolarHBondContact O-N 3.02Å
2035K77.4Confident73.2Confident140 Ų140101.5 Ų101.561%0.60953%0.531SS*.Hα-helixtrans-65.1-40-169.5-67.9165.5-172.9152.80111.5D1445 V2037 K2038 Y2039D1445-K2035 PolarHBondContact OD1-N 2.65Å; K2035-V2037 PolarHBondContact O-N 2.88Å; K2035-K2038 PolarHBondContact O-N 2.74Å; K2035-Y2039 HydrophobicContact CB-CE2 4.35Å; K2035-Y2039 WeakPolarHBondContact O-CD2 3.45Å; K2035-Y2039 PolarHBondContact O-N 3.36Å
2036L69.7Low73.7Confident72 Ų72103.9 Ų103.938%0.37755%0.547SS..Hα-helixtrans-59.7-44.8-178.9-171.9150.6000112L1446 G2034 K2038 Y2039 M2040L1446-L2036 HydrophobicContact CD1-CD1 4.12Å; G2034-L2036 VanDerWaalsContact C-N 3.33Å; G2034-L2036 PolarHBondContact O-N 2.95Å; L2036-K2038 VanDerWaalsContact C-N 3.31Å; L2036-K2038 PolarHBondContact O-N 2.97Å; L2036-Y2039 PolarHBondContact O-N 3.06Å; L2036-M2040 HydrophobicContact CD2-CG 3.73Å; L2036-M2040 HydrophobicContact CG-CG 4.29Å; L2036-M2040 WeakPolarHBondContact O-CB 3.46Å; L2036-M2040 WeakPolarHBondContact O-CG 3.44Å; L2036-M2040 PolarHBondContact O-N 3.13Å
2037V72.7Confident74.3Confident70 Ų70105.7 Ų105.742%0.42455%0.554SS.*Hα-helixtrans-61.5-39.8179.5-178.50000111.5G2034 K2035 M2041G2034-V2037 PolarHBondContact O-N 3.02Å; K2035-V2037 PolarHBondContact O-N 2.88Å; V2037-M2041 WeakPolarHBondContact O-CB 3.33Å; V2037-M2041 PolarHBondContact O-N 2.86Å
2038K77.9Confident74.7Confident122 Ų122103.8 Ų103.853%0.5354%0.542SS..Hα-helixtrans-63.9-44.2177.4-71.3168.7172.8154.50112.1K2033 K2035 L2036 G2042K2033-K2038 VanDerWaalsContact O-CE 3.22Å; K2033-K2038 WeakPolarHBondContact O-CE 3.34Å; K2033-K2038 PolarHBondContact O-NZ 3.31Å; K2035-K2038 PolarHBondContact O-N 2.74Å; L2036-K2038 VanDerWaalsContact C-N 3.31Å; L2036-K2038 PolarHBondContact O-N 2.97Å; K2038-G2042 PolarHBondContact O-N 3.03Å
2039Y79.4Confident75.4Confident168 Ų168105.1 Ų105.166%0.65955%0.55SS*.Hα-helixtrans-68.4-46.5176.8-68.6-61.6000112K2035 L2036 M2041 G2042 F2043K2035-Y2039 HydrophobicContact CB-CE2 4.35Å; K2035-Y2039 WeakPolarHBondContact O-CD2 3.45Å; K2035-Y2039 PolarHBondContact O-N 3.36Å; L2036-Y2039 PolarHBondContact O-N 3.06Å; Y2039-M2041 VanDerWaalsContact C-N 3.29Å; Y2039-M2041 PolarHBondContact O-N 3.49Å; Y2039-G2042 PolarHBondContact O-N 3.35Å; Y2039-F2043 WeakPolarHBondContact O-CB 3.26Å; Y2039-F2043 PolarHBondContact O-N 3Å
2040M73.3Confident76Confident134 Ų13496.4 Ų96.466%0.6652%0.524SS*.Hα-helixtrans-62.7-31.6-179.3-71.1-60.6-6600113.4L2036 P2044L2036-M2040 HydrophobicContact CD2-CG 3.73Å; L2036-M2040 HydrophobicContact CG-CG 4.29Å; L2036-M2040 WeakPolarHBondContact O-CB 3.46Å; L2036-M2040 WeakPolarHBondContact O-CG 3.44Å; L2036-M2040 PolarHBondContact O-N 3.13Å; M2040-P2044 VanDerWaalsContact O-CD 3.26Å; M2040-P2044 WeakPolarHBondContact O-CD 3.37Å; M2040-P2044 WeakPolarHBondContact O-CG 3.35Å
2041M77.2Confident76.5Confident140 Ų14097.6 Ų97.669%0.6951%0.511SS*.Hα-helixtrans-84.2-45.3175.6-169.7178.6-177.100112.7V2037 Y2039 I2045V2037-M2041 WeakPolarHBondContact O-CB 3.33Å; V2037-M2041 PolarHBondContact O-N 2.86Å; Y2039-M2041 VanDerWaalsContact C-N 3.29Å; Y2039-M2041 PolarHBondContact O-N 3.49Å; M2041-I2045 VanDerWaalsContact O-CD1 3.29Å; M2041-I2045 WeakPolarHBondContact O-CD1 3.37Å; M2041-I2045 WeakPolarHBondContact O-CG1 3.47Å
2042G78.8Confident77Confident30 Ų3096.4 Ų96.431%0.30950%0.502SS..Hα-helixtrans-81.8-39.4-171.800000115K2038 Y2039 I2045 I2046K2038-G2042 PolarHBondContact O-N 3.03Å; Y2039-G2042 PolarHBondContact O-N 3.35Å; G2042-I2045 PolarHBondContact O-N 2.87Å; G2042-I2046 WeakPolarHBondContact O-CG1 3.34Å; G2042-I2046 PolarHBondContact O-N 3.46Å
2043F81.9Confident77.5Confident129 Ų12994.7 Ų94.757%0.56649%0.486SS*.Hα-helixtrans-68.4-42.1-172-173.2-113.9000113.6Y2039 I2045 I2046 I2047Y2039-F2043 WeakPolarHBondContact O-CB 3.26Å; Y2039-F2043 PolarHBondContact O-N 3Å; F2043-I2045 VanDerWaalsContact C-N 3.34Å; F2043-I2045 PolarHBondContact O-N 2.95Å; F2043-I2046 PolarHBondContact O-N 3.32Å; F2043-I2047 HydrophobicContact CD1-CD1 3.89Å; F2043-I2047 HydrophobicContact CE1-CD1 3.39Å; F2043-I2047 HydrophobicContact CE1-CG1 4.47Å; F2043-I2047 HydrophobicContact CE2-CD1 4.1Å; F2043-I2047 HydrophobicContact CG-CD1 4.45Å; F2043-I2047 HydrophobicContact CZ-CD1 3.52Å; F2043-I2047 HydrophobicContact CZ-CG1 4.38Å; F2043-I2047 PolarHBondContact O-N 3.36Å
2044P78.1Confident78Confident71 Ų7192.2 Ų92.246%0.46148%0.476SS..Hα-helixtrans-64.8-35.3176.6-23.236.2000113.3M2040 I2047 G2048M2040-P2044 VanDerWaalsContact O-CD 3.26Å; M2040-P2044 WeakPolarHBondContact O-CD 3.37Å; M2040-P2044 WeakPolarHBondContact O-CG 3.35Å; P2044-I2047 PolarHBondContact O-N 3.04Å; P2044-G2048 PolarHBondContact O-N 3.34Å
2045I78.8Confident78.2Confident107 Ų10794.3 Ų94.355%0.54949%0.487SS..Hα-helixtrans-63.5-45.2176.9-62.9174.9000110.2M2041 G2042 F2043 G2048 V2049M2041-I2045 VanDerWaalsContact O-CD1 3.29Å; M2041-I2045 WeakPolarHBondContact O-CD1 3.37Å; M2041-I2045 WeakPolarHBondContact O-CG1 3.47Å; G2042-I2045 PolarHBondContact O-N 2.87Å; F2043-I2045 VanDerWaalsContact C-N 3.34Å; F2043-I2045 PolarHBondContact O-N 2.95Å; I2045-G2048 PolarHBondContact O-N 2.89Å; I2045-V2049 WeakPolarHBondContact O-CG2 3.4Å; I2045-V2049 PolarHBondContact O-N 2.89Å
2046I83.5Confident77.7Confident110 Ų11090.2 Ų90.256%0.56448%0.475SS*.Hα-helixtrans-62.7-46.4177.1-66.1166.2000110.8G2042 F2043 G2048 V2049 V2050G2042-I2046 WeakPolarHBondContact O-CG1 3.34Å; G2042-I2046 PolarHBondContact O-N 3.46Å; F2043-I2046 PolarHBondContact O-N 3.32Å; I2046-G2048 PolarHBondContact O-N 3.03Å; I2046-V2049 PolarHBondContact O-N 3.43Å; I2046-V2050 WeakPolarHBondContact O-CG2 3.45Å; I2046-V2050 PolarHBondContact O-N 3.3Å
2047I84Confident77.8Confident70 Ų7090.4 Ų90.436%0.35948%0.476SS..Hα-helixtrans-61.8-44178-76.5-178.6000111.7F2043 P2044 V2049 V2050 I2051F2043-I2047 HydrophobicContact CD1-CD1 3.89Å; F2043-I2047 HydrophobicContact CE1-CD1 3.39Å; F2043-I2047 HydrophobicContact CE1-CG1 4.47Å; F2043-I2047 HydrophobicContact CE2-CD1 4.1Å; F2043-I2047 HydrophobicContact CG-CD1 4.45Å; F2043-I2047 HydrophobicContact CZ-CD1 3.52Å; F2043-I2047 HydrophobicContact CZ-CG1 4.38Å; F2043-I2047 PolarHBondContact O-N 3.36Å; P2044-I2047 PolarHBondContact O-N 3.04Å; I2047-V2049 VanDerWaalsContact C-N 3.34Å; I2047-V2049 PolarHBondContact O-N 3.41Å; I2047-V2050 PolarHBondContact O-N 2.81Å; I2047-I2051 HydrophobicContact CG2-CD1 3.56Å; I2047-I2051 HydrophobicContact CG2-CG1 4.18Å; I2047-I2051 WeakPolarHBondContact O-CG1 3.3Å; I2047-I2051 PolarHBondContact O-N 2.9Å
2048G76.4Confident77.7Confident40 Ų4092.2 Ų92.241%0.41248%0.483SS..Hα-helixtrans-58.5-44178.900000112.6P2044 I2045 I2046 F2052P2044-G2048 PolarHBondContact O-N 3.34Å; I2045-G2048 PolarHBondContact O-N 2.89Å; I2046-G2048 PolarHBondContact O-N 3.03Å; G2048-F2052 WeakPolarHBondContact O-CB 3.42Å; G2048-F2052 PolarHBondContact O-N 3.34Å
2049V80.3Confident77.1Confident70 Ų7091.3 Ų91.342%0.42448%0.483SS..Hα-helixtrans-64.6-42.9175.8173.20000111.7I2045 I2046 I2047 F2052 I2053I2045-V2049 WeakPolarHBondContact O-CG2 3.4Å; I2045-V2049 PolarHBondContact O-N 2.89Å; I2046-V2049 PolarHBondContact O-N 3.43Å; I2047-V2049 VanDerWaalsContact C-N 3.34Å; I2047-V2049 PolarHBondContact O-N 3.41Å; V2049-F2052 PolarHBondContact O-N 2.9Å; V2049-I2053 HydrophobicContact CG1-CD1 3.83Å; V2049-I2053 WeakPolarHBondContact O-CG1 3.35Å; V2049-I2053 PolarHBondContact O-N 3.16Å; V2049-I2053 VanDerWaalsContact O-N 3.14Å
2050V82.5Confident76.4Confident72 Ų7289.4 Ų89.444%0.43648%0.475SS..Hα-helixtrans-64.5-46.3178.8170.60000111.6I2046 I2047 F2052 I2053 F2054I2046-V2050 WeakPolarHBondContact O-CG2 3.45Å; I2046-V2050 PolarHBondContact O-N 3.3Å; I2047-V2050 PolarHBondContact O-N 2.81Å; V2050-F2052 VanDerWaalsContact C-N 3.34Å; V2050-F2052 PolarHBondContact O-N 3.1Å; V2050-I2053 PolarHBondContact O-N 3.23Å; V2050-F2054 HydrophobicContact CG1-CD2 3.96Å; V2050-F2054 HydrophobicContact CG1-CE2 4.34Å; V2050-F2054 WeakPolarHBondContact O-CD2 3.05Å; V2050-F2054 PolarHBondContact O-N 2.87Å; V2050-F2054 VanDerWaalsContact O-N 3.12Å
2051I79.2Confident76.1Confident106 Ų10686.9 Ų86.954%0.54447%0.47SS..Hα-helixtrans-60.9-44.5177.4-69.1173.9000110.4I2047 I2053 F2054 S2055I2047-I2051 HydrophobicContact CG2-CD1 3.56Å; I2047-I2051 HydrophobicContact CG2-CG1 4.18Å; I2047-I2051 WeakPolarHBondContact O-CG1 3.3Å; I2047-I2051 PolarHBondContact O-N 2.9Å; I2051-I2053 VanDerWaalsContact C-N 3.34Å; I2051-I2053 PolarHBondContact O-N 3.31Å; I2051-F2054 PolarHBondContact O-N 3.15Å; I2051-S2055 WeakPolarHBondContact O-CB 3.39Å; I2051-S2055 PolarHBondContact O-N 2.75Å
2052F76.5Confident75.5Confident83 Ų8385.1 Ų85.136%0.36446%0.463SS..Hα-helixtrans-61.8-39.7-179-170.5-92.4000113G2048 V2049 V2050 P2056 V2359 V2363G2048-F2052 WeakPolarHBondContact O-CB 3.42Å; G2048-F2052 PolarHBondContact O-N 3.34Å; V2049-F2052 PolarHBondContact O-N 2.9Å; V2050-F2052 VanDerWaalsContact C-N 3.34Å; V2050-F2052 PolarHBondContact O-N 3.1Å; F2052-P2056 WeakPolarHBondContact O-CD 3.45Å; F2052-V2359 HydrophobicContact CE1-CG1 4.12Å; F2052-V2359 HydrophobicContact CZ-CG1 3.55Å; F2052-V2363 HydrophobicContact CD1-CG1 4.17Å; F2052-V2363 HydrophobicContact CE1-CB 3.72Å; F2052-V2363 HydrophobicContact CE1-CG1 3.8Å; F2052-V2363 HydrophobicContact CE1-CG2 3.8Å; F2052-V2363 HydrophobicContact CE2-CG2 4.16Å; F2052-V2363 HydrophobicContact CZ-CB 3.9Å; F2052-V2363 HydrophobicContact CZ-CG1 4.12Å; F2052-V2363 HydrophobicContact CZ-CG2 3.4Å; F2052-V2363 VanDerWaalsContact CZ-CG2 3.4Å
2053I80.2Confident74.5Confident69 Ų6985.8 Ų85.835%0.35446%0.459SS..Hα-helixtrans-70.8-44.6179.3-68167.1000111.6V2049 V2050 I2051V2049-I2053 HydrophobicContact CG1-CD1 3.83Å; V2049-I2053 WeakPolarHBondContact O-CG1 3.35Å; V2049-I2053 PolarHBondContact O-N 3.16Å; V2049-I2053 VanDerWaalsContact O-N 3.14Å; V2050-I2053 PolarHBondContact O-N 3.23Å; I2051-I2053 VanDerWaalsContact C-N 3.34Å; I2051-I2053 PolarHBondContact O-N 3.31Å
2054F81.3Confident73.4Confident115 Ų11583.8 Ų83.850%0.50446%0.455SS..Hα-helixtrans-90.4-21-172.6-72.8-71.3000115.1V2050 I2051 L2057 L2058V2050-F2054 HydrophobicContact CG1-CD2 3.96Å; V2050-F2054 HydrophobicContact CG1-CE2 4.34Å; V2050-F2054 WeakPolarHBondContact O-CD2 3.05Å; V2050-F2054 PolarHBondContact O-N 2.87Å; V2050-F2054 VanDerWaalsContact O-N 3.12Å; I2051-F2054 PolarHBondContact O-N 3.15Å; F2054-L2057 HydrophobicContact CD1-CD1 4.33Å; F2054-L2057 PolarHBondContact O-N 3.28Å; F2054-L2058 PolarHBondContact O-N 3.03Å
2055S72.4Confident72.6Confident63 Ų6388.3 Ų88.344%0.44147%0.47SS..Hα-helixtrans-56.1-44.9-176.9172.80000113.9I2051 L2057 L2058 L2059I2051-S2055 WeakPolarHBondContact O-CB 3.39Å; I2051-S2055 PolarHBondContact O-N 2.75Å; S2055-L2057 PolarHBondContact O-N 2.93Å; S2055-L2058 PolarHBondContact O-N 3.49Å; S2055-L2059 WeakPolarHBondContact O-CB 3.5Å; S2055-L2059 PolarHBondContact O-N 3.17Å
2056P68Low71.8Confident53 Ų5387.7 Ų87.734%0.34447%0.467SS..Hα-helixtrans-65.8-34.6178.3-22.434.8000113.7F2052 W2060 Y2356F2052-P2056 WeakPolarHBondContact O-CD 3.45Å; P2056-W2060 PolarHBondContact O-N 3.23Å; P2056-Y2356 HydrophobicContact CB-CD2 3.69Å; P2056-Y2356 HydrophobicContact CB-CE2 3.94Å; P2056-Y2356 HydrophobicContact CG-CD2 4Å; P2056-Y2356 HydrophobicContact CG-CE2 4.08Å
2057L70.8Confident70.8Confident77 Ų7783.7 Ų83.740%0.40345%0.452SS..Hα-helixtrans-68.6-43.8176.8-76.5163.7000111.5F2054 S2055 W2060 S2061 Y2356F2054-L2057 HydrophobicContact CD1-CD1 4.33Å; F2054-L2057 PolarHBondContact O-N 3.28Å; S2055-L2057 PolarHBondContact O-N 2.93Å; L2057-W2060 PolarHBondContact O-N 3.41Å; L2057-S2061 PolarHBondContact O-N 2.68Å; L2057-Y2356 HydrophobicContact CG-CE2 4.49Å
2058L71.1Confident70Confident108 Ų10883.4 Ų83.457%0.56545%0.454SS*.Hα-helixtrans-61.5-44.7173.5-95.8162.9000111.6F2054 S2055 W2060 S2061 L2062F2054-L2058 PolarHBondContact O-N 3.03Å; S2055-L2058 PolarHBondContact O-N 3.49Å; L2058-W2060 PolarHBondContact O-N 3.46Å; L2058-S2061 PolarHBondContact O-N 2.92Å; L2058-L2062 WeakPolarHBondContact O-CG 3.29Å; L2058-L2062 PolarHBondContact O-N 2.94Å; L2058-L2062 VanDerWaalsContact O-N 3.16Å
2059L64.6Low69.7Low102 Ų10284.3 Ų84.353%0.53445%0.449SS..Hα-helixtrans-61.2-45.8179.1-164.876.3000111.5S2055 S2061 L2062 L2063S2055-L2059 WeakPolarHBondContact O-CB 3.5Å; S2055-L2059 PolarHBondContact O-N 3.17Å; L2059-S2061 PolarHBondContact O-N 2.98Å; L2059-L2062 PolarHBondContact O-N 3.4Å; L2059-L2063 HydrophobicContact CD1-CD1 4.45Å; L2059-L2063 HydrophobicContact CD2-CD1 4.15Å; L2059-L2063 HydrophobicContact CG-CD1 3.8Å; L2059-L2063 HydrophobicContact CG-CG 4.29Å; L2059-L2063 WeakPolarHBondContact O-CB 3.45Å; L2059-L2063 VanDerWaalsContact O-CG 3.31Å; L2059-L2063 WeakPolarHBondContact O-CG 3.35Å; L2059-L2063 PolarHBondContact O-N 3.09Å
2060W66.1Low69.2Low128 Ų12881.8 Ų81.849%0.48543%0.434SS..Hα-helixtrans-63.8-40177.2-17737.1000112.6P2056 L2057 L2058 L2062 N2064P2056-W2060 PolarHBondContact O-N 3.23Å; L2057-W2060 PolarHBondContact O-N 3.41Å; L2058-W2060 PolarHBondContact O-N 3.46Å; W2060-L2062 PolarHBondContact O-N 3.14Å; W2060-N2064 PolarHBondContact NE1-ND2 2.85Å; W2060-N2064 PolarHBondContact NE1-OD1 3.28Å; W2060-N2064 VanDerWaalsContact O-CG 3.31Å; W2060-N2064 PolarHBondContact O-ND2 3.04Å
2061S67.2Low68.7Low81 Ų8183 Ų8357%0.56644%0.436SS*.Hα-helixtrans-62.7-28.6176.5-1720000113.7L2057 L2058 L2059L2057-S2061 PolarHBondContact O-N 2.68Å; L2058-S2061 PolarHBondContact O-N 2.92Å; L2059-S2061 PolarHBondContact O-N 2.98Å
2062L63.2Low68.5Low104 Ų10478.4 Ų78.455%0.54541%0.413SS..Hα-helixtrans-91.2-38.5-178.3-68.5166.5000112.4L2058 L2059 W2060 N2064L2058-L2062 WeakPolarHBondContact O-CG 3.29Å; L2058-L2062 PolarHBondContact O-N 2.94Å; L2058-L2062 VanDerWaalsContact O-N 3.16Å; L2059-L2062 PolarHBondContact O-N 3.4Å; W2060-L2062 PolarHBondContact O-N 3.14Å; L2062-N2064 VanDerWaalsContact C-N 3.32Å; L2062-N2064 PolarHBondContact O-N 3.28Å
2063L58.7Low68.6Low43 Ų4380 Ų8023%0.22542%0.422CS..Hα-helixtrans-69.2-24.9-176.4-73.4176.3000114.2L2059 Q2065 I2066 L2344 F2348L2059-L2063 HydrophobicContact CD1-CD1 4.45Å; L2059-L2063 HydrophobicContact CD2-CD1 4.15Å; L2059-L2063 HydrophobicContact CG-CD1 3.8Å; L2059-L2063 HydrophobicContact CG-CG 4.29Å; L2059-L2063 WeakPolarHBondContact O-CB 3.45Å; L2059-L2063 VanDerWaalsContact O-CG 3.31Å; L2059-L2063 WeakPolarHBondContact O-CG 3.35Å; L2059-L2063 PolarHBondContact O-N 3.09Å; L2063-Q2065 PolarHBondContact O-N 3.07Å; L2063-Q2065 VanDerWaalsContact O-N 3.07Å; L2063-I2066 HydrophobicContact CD2-CD1 4.1Å; L2063-L2344 HydrophobicContact CD1-CD2 4.03Å; L2063-L2344 HydrophobicContact CD2-CD1 4.48Å; L2063-L2344 HydrophobicContact CD2-CD2 4.28Å; L2063-F2348 HydrophobicContact CB-CZ 4.4Å
2064N58.4Low68.6Low87 Ų8779.8 Ų79.847%0.46542%0.418SS..THydrogen-bonded Turntrans-67.7-4.5-178-70.1-15.9000114.6W2060 L2062W2060-N2064 PolarHBondContact NE1-ND2 2.85Å; W2060-N2064 PolarHBondContact NE1-OD1 3.28Å; W2060-N2064 VanDerWaalsContact O-CG 3.31Å; W2060-N2064 PolarHBondContact O-ND2 3.04Å; L2062-N2064 VanDerWaalsContact C-N 3.32Å; L2062-N2064 PolarHBondContact O-N 3.28Å
2065Q61.1Low69Low166 Ų16674.3 Ų74.378%0.77639%0.394SS*.THydrogen-bonded Turntrans-100.71.5-176-62.9-172-37.400114.4L2063L2063-Q2065 PolarHBondContact O-N 3.07Å; L2063-Q2065 VanDerWaalsContact O-N 3.07Å
2066I62.7Low69.9Low95 Ų9571.8 Ų71.849%0.48738%0.376SS..  trans-112.567.2-162.2-41.9176.5000111.5L2063L2063-I2066 HydrophobicContact CD2-CD1 4.1Å
2067G63.2Low70.9Confident26 Ų2669.2 Ų69.227%0.26836%0.36SS..  trans-109.8133.4177.200000113.1A2339G2067-A2339 CarbonylContact C-O 3.56Å; G2067-A2339 VanDerWaalsContact CA-O 3.29Å; G2067-A2339 WeakPolarHBondContact CA-O 3.44Å
2068T66.8Low71.9Confident64 Ų6469.9 Ų69.939%0.39336%0.357SS..BIsolated β-bridgetrans-93.8151.2-178.740.60000112E2196 R2338 A2339T2068-E2196 PolarHBondContact OG1-OE1 3.06Å; T2068-R2338 CarbonylContact O-C 3.43Å; T2068-R2338 WeakPolarHBondContact O-CA 3.31Å; T2068-R2338 VanDerWaalsContact O-CB 3.31Å; T2068-R2338 WeakPolarHBondContact O-CB 3.34Å; T2068-A2339 PolarHBondContact N-O 3.36Å; T2068-A2339 PolarHBondContact O-N 3.06Å; T2068-A2339 PolarHBondContact OG1-O 2.94Å
2069I69Low72.7Confident59 Ų5964.8 Ų64.830%0.30333%0.33SS..  trans-98.9129.8171.5-167.7172.2000109.9E2145I2069-E2145 HydrophobicContact CD1-CB 4.4Å; I2069-E2145 WeakPolarHBondContact CD1-O 3.33Å
2070S70.1Confident73.8Confident16 Ų1660.5 Ų60.511%0.11231%0.309CS..  trans-115.294174.142.90000109.4R2190S2070-R2190 PolarHBondContact OG-NH1 3.04Å
2071M71.1Confident74.7Confident98 Ų9854.6 Ų54.648%0.48329%0.287SS..  trans-62.8142.5177.6-68.7-176.7173.600110.8M2104 P2191M2071-M2104 HydrophobicContact CE-SD 3.87Å; M2071-P2191 WeakPolarHBondContact O-CD 3.17Å
2072P76.6Confident75.4Confident9 Ų954.2 Ų54.26%0.05828%0.276CS..  trans-69.8135.2175.329.6-34.6000111.1V2075 L2102 L2148 F2188 T2189P2072-V2075 HydrophobicContact CB-CG2 4.27Å; P2072-V2075 HydrophobicContact CG-CG2 4.26Å; P2072-L2102 HydrophobicContact CG-CD2 4.22Å; P2072-L2148 HydrophobicContact CG-CD2 3.53Å; P2072-F2188 HydrophobicContact CB-CD1 4.14Å; P2072-F2188 HydrophobicContact CG-CD1 4.07Å; P2072-T2189 CarbonylContact C-O 3.58Å; P2072-T2189 WeakPolarHBondContact CA-O 3.44Å; P2072-T2189 WeakPolarHBondContact CB-O 3.49Å
2073E77.1Confident76.2Confident118 Ų11852.8 Ų52.855%0.55129%0.286SS*.SBendtrans-69-42.5178.8-177.3-177.1150.200110.7G2094 T2189E2073-G2094 PolarHBondContact O-N 3.33Å; E2073-T2189 PolarHBondContact N-O 3.47Å
2074K82.1Confident77.5Confident64 Ų6452.9 Ų52.928%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-153.1156.4173.657.5169.7170.2178.60112.7E2091 A2092 Q2093 T2189K2074-E2091 HydrophobicContact CB-CG 4.23Å; K2074-E2091 HydrophobicContact CD-CG 3.78Å; K2074-E2091 WeakPolarHBondContact CD-OE1 3.32Å; K2074-E2091 VanDerWaalsContact CD-OE2 3.31Å; K2074-E2091 WeakPolarHBondContact CD-OE2 3.26Å; K2074-E2091 WeakPolarHBondContact CE-OE2 3.44Å; K2074-E2091 IonicContact NZ-OE1 2.73Å; K2074-E2091 PolarHBondContact NZ-OE1 2.9Å; K2074-E2091 IonicContact NZ-OE2 3.81Å; K2074-E2091 PolarHBondContact NZ-OE2 3.1Å; K2074-A2092 WeakPolarHBondContact CA-O 3.25Å; K2074-Q2093 HydrophobicContact CB-CG 4.43Å; K2074-T2189 HydrophobicContact CG-CG2 4.37Å; K2074-T2189 WeakPolarHBondContact CG-OG1 3.43Å; K2074-T2189 PolarHBondContact N-OG1 2.9Å; K2074-T2189 PolarHBondContact O-N 2.98Å; K2074-T2189 PolarHBondContact O-OG1 3.41Å
2075V88.6Confident78.7Confident0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-126.9122.1176.9-169.30000108.8P2072 A2092 L2102 V2150 F2152 L2186 E2187 F2188P2072-V2075 HydrophobicContact CB-CG2 4.27Å; P2072-V2075 HydrophobicContact CG-CG2 4.26Å; V2075-A2092 PolarHBondContact N-O 3.17Å; V2075-A2092 PolarHBondContact O-N 3.16Å; V2075-L2102 HydrophobicContact CG2-CD2 4.48Å; V2075-V2150 HydrophobicContact CB-CG1 4.09Å; V2075-V2150 HydrophobicContact CG1-CG1 4.3Å; V2075-V2150 HydrophobicContact CG2-CG1 4.37Å; V2075-V2150 HydrophobicContact CG2-CG2 4.21Å; V2075-F2152 HydrophobicContact CG1-CE1 4.3Å; V2075-F2152 HydrophobicContact CG1-CZ 3.93Å; V2075-L2186 HydrophobicContact CG1-CD1 3.74Å; V2075-L2186 HydrophobicContact CG1-CG 4.44Å; V2075-E2187 WeakPolarHBondContact CA-O 3.4Å; V2075-F2188 HydrophobicContact CB-CD1 4.38Å; V2075-F2188 HydrophobicContact CG1-CD1 3.98Å; V2075-F2188 HydrophobicContact CG1-CD2 4.12Å; V2075-F2188 HydrophobicContact CG1-CE1 4Å; V2075-F2188 HydrophobicContact CG1-CE2 4.16Å; V2075-F2188 HydrophobicContact CG1-CG 4.04Å; V2075-F2188 HydrophobicContact CG1-CZ 4.1Å; V2075-F2188 HydrophobicContact CG2-CD1 3.47Å; V2075-F2188 VanDerWaalsContact CG2-CD1 3.47Å; V2075-F2188 HydrophobicContact CG2-CE1 3.72Å; V2075-F2188 HydrophobicContact CG2-CG 4.17Å
2076T90.5Very high79.9Confident9 Ų944.4 Ų44.46%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-109.3127.5-179.952.10000110.8E2091 E2187T2076-E2091 HydrophobicContact CG2-CB 4.01Å; T2076-E2091 HydrophobicContact CG2-CG 3.73Å; T2076-E2091 WeakPolarHBondContact CG2-OE2 3.23Å; T2076-E2187 PolarHBondContact N-O 3.39Å; T2076-E2187 PolarHBondContact O-N 3.23Å
2077L90.7Very high81Confident0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-109.7125.6172.8175.361.9000109.4I2079 Y2088 M2090 F2152 V2184 L2186 I2238 L2330L2077-I2079 HydrophobicContact CD1-CG1 4.38Å; L2077-I2079 HydrophobicContact CD2-CD1 4.46Å; L2077-I2079 HydrophobicContact CG-CG1 4.33Å; L2077-Y2088 HydrophobicContact CD2-CE1 4.08Å; L2077-Y2088 HydrophobicContact CG-CE1 4.25Å; L2077-M2090 PolarHBondContact N-O 3.41Å; L2077-M2090 PolarHBondContact O-N 3.15Å; L2077-M2090 VanDerWaalsContact O-N 3.09Å; L2077-F2152 HydrophobicContact CB-CD1 3.83Å; L2077-F2152 HydrophobicContact CB-CD2 4.42Å; L2077-F2152 HydrophobicContact CB-CE1 3.6Å; L2077-F2152 HydrophobicContact CB-CE2 4.21Å; L2077-F2152 HydrophobicContact CB-CG 4.24Å; L2077-F2152 HydrophobicContact CB-CZ 3.81Å; L2077-F2152 HydrophobicContact CD2-CD1 4.42Å; L2077-F2152 HydrophobicContact CD2-CD2 3.74Å; L2077-F2152 HydrophobicContact CD2-CE2 3.99Å; L2077-F2152 HydrophobicContact CD2-CG 3.98Å; L2077-F2152 HydrophobicContact CD2-CZ 4.44Å; L2077-V2184 HydrophobicContact CD1-CG1 3.91Å; L2077-L2186 HydrophobicContact CB-CD1 4.09Å; L2077-L2186 HydrophobicContact CD1-CD1 4.24Å; L2077-I2238 HydrophobicContact CD1-CD1 4.05Å; L2077-I2238 HydrophobicContact CD2-CD1 3.84Å; L2077-L2330 HydrophobicContact CD2-CD2 3.53Å; L2077-L2330 HydrophobicContact CD2-CG 4.29Å
2078R90.6Very high82.2Confident91 Ų9138.7 Ų38.734%0.34321%0.212SC..EExtended strand (participates in β ladder)trans-122.9135.5175.4-68.1175.7171.9118.712.1110.5E2089 S2185 E2187R2078-E2089 HydrophobicContact CG-CB 4.45Å; R2078-E2089 HydrophobicContact CG-CG 3.95Å; R2078-E2089 IonicContact CZ-OE1 3.02Å; R2078-E2089 IonicContact NE-OE1 3.71Å; R2078-E2089 PolarHBondContact NE-OE1 3.4Å; R2078-E2089 IonicContact NE-OE2 3.98Å; R2078-E2089 IonicContact NH2-OE1 3.32Å; R2078-E2089 PolarHBondContact NH2-OE1 3.33Å; R2078-S2185 WeakPolarHBondContact CB-OG 3.29Å; R2078-S2185 PolarHBondContact N-O 3.26Å; R2078-S2185 PolarHBondContact O-N 3.06Å; R2078-E2187 IonicContact NH1-OE2 2.74Å
2079I89.2Confident83.3Confident0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-127.4115.1-178.4-58.8-179.3000107.6L2077 P2086 L2087 Y2088 F2182 L2286 L2288 A2303L2077-I2079 HydrophobicContact CD1-CG1 4.38Å; L2077-I2079 HydrophobicContact CD2-CD1 4.46Å; L2077-I2079 HydrophobicContact CG-CG1 4.33Å; I2079-P2086 CarbonylContact O-C 3.59Å; I2079-L2087 PolarHBondContact O-N 3.09Å; I2079-Y2088 HydrophobicContact CB-CD1 4.3Å; I2079-Y2088 HydrophobicContact CD1-CD1 3.62Å; I2079-Y2088 HydrophobicContact CD1-CE1 4.11Å; I2079-Y2088 HydrophobicContact CD1-CG 4.32Å; I2079-Y2088 HydrophobicContact CG1-CD1 3.9Å; I2079-Y2088 PolarHBondContact N-O 3.42Å; I2079-Y2088 PolarHBondContact O-N 3.01Å; I2079-F2182 HydrophobicContact CG2-CE1 3.64Å; I2079-F2182 HydrophobicContact CG2-CE2 3.92Å; I2079-F2182 HydrophobicContact CG2-CZ 3.13Å; I2079-L2286 HydrophobicContact CD1-CD1 3.85Å; I2079-L2286 HydrophobicContact CD1-CD2 3.83Å; I2079-L2286 HydrophobicContact CG2-CD2 3.93Å; I2079-L2288 HydrophobicContact CG2-CD1 4.22Å; I2079-A2303 HydrophobicContact CD1-CB 4.48Å
2080S86.8Confident84.2Confident13 Ų1334.6 Ų34.69%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-139.4168.9-170.474.20000113.2F2182 E2183S2080-F2182 WeakPolarHBondContact O-CD2 3.4Å; S2080-E2183 PolarHBondContact N-O 3.48Å; S2080-E2183 PolarHBondContact O-N 2.97Å
2081I85.1Confident85Confident4 Ų435.8 Ų35.82%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-108132.4168.6-66.4170000106.9G2083 Y2084 L2087 M2170 V2180 F2182I2081-G2083 PolarHBondContact O-N 3.44Å; I2081-Y2084 HydrophobicContact CB-CD2 4.33Å; I2081-Y2084 HydrophobicContact CG2-CD2 3.95Å; I2081-Y2084 HydrophobicContact CG2-CE2 4.49Å; I2081-Y2084 PolarHBondContact O-N 3.27Å; I2081-L2087 HydrophobicContact CD1-CD1 4.03Å; I2081-L2087 HydrophobicContact CD1-CD2 4.4Å; I2081-L2087 HydrophobicContact CG1-CD1 4.07Å; I2081-M2170 HydrophobicContact CB-CE 4.13Å; I2081-M2170 HydrophobicContact CD1-CE 4Å; I2081-M2170 HydrophobicContact CD1-SD 3.73Å; I2081-V2180 HydrophobicContact CG2-CG1 3.42Å; I2081-V2180 VanDerWaalsContact CG2-CG1 3.42Å; I2081-F2182 HydrophobicContact CG1-CD2 4.05Å
2082E81.8Confident85.6Confident73 Ų7331.1 Ų31.134%0.34117%0.168SC..THydrogen-bonded Turntrans-50.8111.9-171.4-176.8-175.2-164.300113.2K2173 N2181E2082-K2173 PolarHBondContact O-NZ 2.74Å; E2082-N2181 HydrophobicContact CB-CB 4.19Å; E2082-N2181 VanDerWaalsContact CB-O 3.3Å; E2082-N2181 WeakPolarHBondContact CB-O 3.46Å; E2082-N2181 PolarHBondContact N-O 3.38Å; E2082-N2181 VanDerWaalsContact OE2-CB 3.31Å; E2082-N2181 WeakPolarHBondContact OE2-CB 3.35Å; E2082-N2181 PolarHBondContact OE2-N 3.37Å; E2082-N2181 VanDerWaalsContact OE2-N 3.1Å; E2082-N2181 PolarHBondContact OE2-ND2 2.63Å
2083G79.3Confident85.6Confident74 Ų7435.4 Ų35.476%0.76319%0.188SC*.THydrogen-bonded Turntrans92.712.9-178.600000115.9I2081I2081-G2083 PolarHBondContact O-N 3.44Å
2084Y85.7Confident84.7Confident44 Ų4431.4 Ų31.417%0.17318%0.178CC..SBendtrans-131161.6179.5-64.9-76.4000112.8I2081 S2166 A2169 M2170 K2173I2081-Y2084 HydrophobicContact CB-CD2 4.33Å; I2081-Y2084 HydrophobicContact CG2-CD2 3.95Å; I2081-Y2084 HydrophobicContact CG2-CE2 4.49Å; I2081-Y2084 PolarHBondContact O-N 3.27Å; Y2084-S2166 WeakPolarHBondContact CE1-O 3.3Å; Y2084-A2169 VanDerWaalsContact OH-C 3.23Å; Y2084-A2169 PolarHBondContact OH-O 3.4Å; Y2084-M2170 HydrophobicContact CD1-CB 4.27Å; Y2084-M2170 HydrophobicContact CD1-CE 3.88Å; Y2084-M2170 HydrophobicContact CD2-CB 4.42Å; Y2084-M2170 HydrophobicContact CD2-CE 3.58Å; Y2084-M2170 HydrophobicContact CD2-CG 4.23Å; Y2084-M2170 HydrophobicContact CE1-CB 3.88Å; Y2084-M2170 HydrophobicContact CE2-CB 4.01Å; Y2084-M2170 HydrophobicContact CE2-CE 4.32Å; Y2084-M2170 HydrophobicContact CE2-CG 4.05Å; Y2084-M2170 HydrophobicContact CG-CE 3.32Å; Y2084-M2170 WeakPolarHBondContact OH-CA 3.3Å; Y2084-M2170 PolarHBondContact OH-N 3.03Å; Y2084-K2173 HydrophobicContact CE2-CD 3.86Å
2085P84.7Confident83.4Confident41 Ų4133.6 Ų33.627%0.26620%0.202SC..  trans-56.1147.4174-2434.2000112.4L2087 P2161P2085-L2087 PolarHBondContact O-N 3.29Å; P2085-P2161 HydrophobicContact CB-CG 4.02Å
2086P85.3Confident81.6Confident34 Ų3438.8 Ų38.822%0.22123%0.229CC..  trans-58136.6-179.924.6-33000110.8I2079 E2089I2079-P2086 CarbonylContact O-C 3.59Å; P2086-E2089 HydrophobicContact CB-CB 4.49Å; P2086-E2089 HydrophobicContact CG-CB 4.43Å; P2086-E2089 WeakPolarHBondContact CG-OE2 3.35Å
2087L85.9Confident79.6Confident2 Ų247.2 Ų47.21%0.0127%0.268CS..SBendtrans-70.3-45.3173-56.5175.1000109.2I2079 I2081 P2085 W2160 F2182 L2288 W2301I2079-L2087 PolarHBondContact O-N 3.09Å; I2081-L2087 HydrophobicContact CD1-CD1 4.03Å; I2081-L2087 HydrophobicContact CD1-CD2 4.4Å; I2081-L2087 HydrophobicContact CG1-CD1 4.07Å; P2085-L2087 PolarHBondContact O-N 3.29Å; L2087-W2160 HydrophobicContact CD2-CZ2 3.74Å; L2087-F2182 HydrophobicContact CD1-CE2 3.92Å; L2087-L2288 HydrophobicContact CD1-CD1 3.75Å; L2087-W2301 HydrophobicContact CB-CD2 4.31Å; L2087-W2301 HydrophobicContact CB-CG 4.03Å; L2087-W2301 HydrophobicContact CD2-CZ2 4.02Å; L2087-W2301 WeakPolarHBondContact O-CB 3.45Å
2088Y88.7Confident77.7Confident0 Ų054.1 Ų54.10%031%0.305CS..EExtended strand (participates in β ladder)trans-132.8131.1-179.9165.6-77.9000109.1L2077 I2079 M2090 F2152 R2153 A2303 L2330L2077-Y2088 HydrophobicContact CD2-CE1 4.08Å; L2077-Y2088 HydrophobicContact CG-CE1 4.25Å; I2079-Y2088 HydrophobicContact CB-CD1 4.3Å; I2079-Y2088 HydrophobicContact CD1-CD1 3.62Å; I2079-Y2088 HydrophobicContact CD1-CE1 4.11Å; I2079-Y2088 HydrophobicContact CD1-CG 4.32Å; I2079-Y2088 HydrophobicContact CG1-CD1 3.9Å; I2079-Y2088 PolarHBondContact N-O 3.42Å; I2079-Y2088 PolarHBondContact O-N 3.01Å; Y2088-M2090 HydrophobicContact CE1-CB 3.82Å; Y2088-M2090 HydrophobicContact CE2-CB 4.48Å; Y2088-M2090 WeakPolarHBondContact OH-CB 3.36Å; Y2088-F2152 WeakPolarHBondContact OH-CB 3.45Å; Y2088-R2153 WeakPolarHBondContact CE2-O 3.13Å; Y2088-R2153 PolarHBondContact OH-O 3.2Å; Y2088-A2303 HydrophobicContact CD1-CB 4.41Å; Y2088-A2303 HydrophobicContact CD2-CB 3.65Å; Y2088-A2303 HydrophobicContact CE1-CB 4.5Å; Y2088-A2303 HydrophobicContact CE2-CB 3.74Å; Y2088-A2303 HydrophobicContact CG-CB 4Å; Y2088-L2330 HydrophobicContact CE1-CD2 4.42Å
2089E89.7Confident76Confident33 Ų3353.5 Ų53.515%0.15431%0.308CS..EExtended strand (participates in β ladder)trans-136135.6174.2-179.6158.8-166.100108.6R2078 P2086 S2156 E2157 I2158R2078-E2089 HydrophobicContact CG-CB 4.45Å; R2078-E2089 HydrophobicContact CG-CG 3.95Å; R2078-E2089 IonicContact CZ-OE1 3.02Å; R2078-E2089 IonicContact NE-OE1 3.71Å; R2078-E2089 PolarHBondContact NE-OE1 3.4Å; R2078-E2089 IonicContact NE-OE2 3.98Å; R2078-E2089 IonicContact NH2-OE1 3.32Å; R2078-E2089 PolarHBondContact NH2-OE1 3.33Å; P2086-E2089 HydrophobicContact CB-CB 4.49Å; P2086-E2089 HydrophobicContact CG-CB 4.43Å; P2086-E2089 WeakPolarHBondContact CG-OE2 3.35Å; E2089-S2156 PolarHBondContact N-OG 3.35Å; E2089-S2156 PolarHBondContact O-OG 2.95Å; E2089-E2157 WeakPolarHBondContact O-CB 3.27Å; E2089-E2157 PolarHBondContact O-N 3.28Å; E2089-I2158 HydrophobicContact CB-CD1 4.45Å; E2089-I2158 HydrophobicContact CG-CD1 4.19Å
2090M88.8Confident74.7Confident4 Ų456.6 Ų56.62%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-150.8127.1-176.7-179.45850.100110.6L2077 Y2088 F2152 R2153 E2155 E2157L2077-M2090 PolarHBondContact N-O 3.41Å; L2077-M2090 PolarHBondContact O-N 3.15Å; L2077-M2090 VanDerWaalsContact O-N 3.09Å; Y2088-M2090 HydrophobicContact CE1-CB 3.82Å; Y2088-M2090 HydrophobicContact CE2-CB 4.48Å; Y2088-M2090 WeakPolarHBondContact OH-CB 3.36Å; M2090-F2152 HydrophobicContact CB-CB 4.43Å; M2090-F2152 HydrophobicContact CB-CD1 4.32Å; M2090-F2152 HydrophobicContact CG-CB 3.82Å; M2090-F2152 HydrophobicContact CG-CD1 3.96Å; M2090-F2152 HydrophobicContact CG-CG 4.4Å; M2090-R2153 HydrophobicContact CE-CB 3.79Å; M2090-R2153 HydrophobicContact CE-CG 4.38Å; M2090-R2153 HydrophobicContact SD-CB 3.98Å; M2090-R2153 HydrophobicContact SD-CG 4.01Å; M2090-E2155 WeakPolarHBondContact CE-O 3.43Å; M2090-E2157 HydrophobicContact CE-CB 3.78Å; M2090-E2157 HydrophobicContact SD-CB 4.38Å
2091E87.2Confident73.9Confident41 Ų4157 Ų5719%0.19233%0.334CS..EExtended strand (participates in β ladder)trans-102.9117.8172.6-171.6164.9120.600111.1K2074 T2076 Q2093 E2157K2074-E2091 HydrophobicContact CB-CG 4.23Å; K2074-E2091 HydrophobicContact CD-CG 3.78Å; K2074-E2091 WeakPolarHBondContact CD-OE1 3.32Å; K2074-E2091 VanDerWaalsContact CD-OE2 3.31Å; K2074-E2091 WeakPolarHBondContact CD-OE2 3.26Å; K2074-E2091 WeakPolarHBondContact CE-OE2 3.44Å; K2074-E2091 IonicContact NZ-OE1 2.73Å; K2074-E2091 PolarHBondContact NZ-OE1 2.9Å; K2074-E2091 IonicContact NZ-OE2 3.81Å; K2074-E2091 PolarHBondContact NZ-OE2 3.1Å; T2076-E2091 HydrophobicContact CG2-CB 4.01Å; T2076-E2091 HydrophobicContact CG2-CG 3.73Å; T2076-E2091 WeakPolarHBondContact CG2-OE2 3.23Å; E2091-Q2093 HydrophobicContact CG-CG 3.97Å; E2091-Q2093 PolarHBondContact OE1-NE2 3.18Å; E2091-E2157 PolarHBondContact N-OE2 3.06Å
2092A83.3Confident73.5Confident0 Ų058.1 Ų58.10%034%0.34CS..EExtended strand (participates in β ladder)trans-92.7123171.700000109.5K2074 V2075 E2101 L2102 V2150 F2152K2074-A2092 WeakPolarHBondContact CA-O 3.25Å; V2075-A2092 PolarHBondContact N-O 3.17Å; V2075-A2092 PolarHBondContact O-N 3.16Å; A2092-E2101 HydrophobicContact CB-CB 4.39Å; A2092-L2102 HydrophobicContact CB-CD1 3.67Å; A2092-L2102 WeakPolarHBondContact O-CD1 3.35Å; A2092-V2150 HydrophobicContact CB-CG1 3.92Å; A2092-F2152 HydrophobicContact CB-CD1 4.12Å; A2092-F2152 HydrophobicContact CB-CE1 4.08Å
2093Q75.5Confident73.1Confident99 Ų9955.6 Ų55.646%0.46333%0.333SS..EExtended strand (participates in β ladder)trans-117.8138.5-172.3-63.8-175.9-10.600112.7K2074 E2091K2074-Q2093 HydrophobicContact CB-CG 4.43Å; E2091-Q2093 HydrophobicContact CG-CG 3.97Å; E2091-Q2093 PolarHBondContact OE1-NE2 3.18Å
2094G60.2Low73Confident34 Ų3456.5 Ų56.535%0.35132%0.319SS..  trans-137.358.9-170.400000115.8E2073E2073-G2094 PolarHBondContact O-N 3.33Å
2095S53.1Low72.9Confident110 Ų11054.5 Ų54.577%0.76931%0.311SS*.SBendtrans-93.8-19.1176.9-173.30000115.2
2096N50.8Low72.8Confident109 Ų10958.9 Ų58.958%0.58333%0.326SS*.SBendtrans-129.4146-175.5-78.3-19.8000111.2D2098 N2099N2096-D2098 PolarHBondContact O-N 3.11Å; N2096-N2099 PolarHBondContact O-N 2.99Å
2097H50Low72.7Confident186 Ų18661.2 Ų61.286%0.86134%0.341SS*.THydrogen-bonded Turntrans-65.1-11.1-175-161-61.3000114
2098D49.7Very low72.4Confident145 Ų14566.9 Ų66.978%0.77537%0.371SS*.THydrogen-bonded Turntrans-93.8-15.3-178.6-52.3-53.8000113.6N2096 A2100N2096-D2098 PolarHBondContact O-N 3.11Å; D2098-A2100 PolarHBondContact O-N 3.22Å
2099N55.1Low72Confident78 Ų7869.2 Ų69.242%0.41738%0.382SS..  trans-83.6103.8-175.5-7412.7000111.2N2096 E2101N2096-N2099 PolarHBondContact O-N 2.99Å; N2099-E2101 PolarHBondContact O-N 3.13Å
2100A61.1Low71.7Confident65 Ų6569.1 Ų69.154%0.53738%0.382SS..THydrogen-bonded Turntrans-69.810.6-172.300000116.8D2098 R2151D2098-A2100 PolarHBondContact O-N 3.22Å; A2100-R2151 PolarHBondContact O-NH1 2.95Å
2101E70.9Confident71.4Confident20 Ų2071.6 Ų71.69%0.09340%0.404CS..THydrogen-bonded Turntrans-87-36.9-174-63.6-178165.400113.1A2092 N2099 R2151 R2153A2092-E2101 HydrophobicContact CB-CB 4.39Å; N2099-E2101 PolarHBondContact O-N 3.13Å; E2101-R2151 PolarHBondContact O-N 2.68Å; E2101-R2153 IonicContact OE1-CZ 3.85Å; E2101-R2153 IonicContact OE1-NE 2.68Å; E2101-R2153 PolarHBondContact OE1-NE 2.97Å; E2101-R2153 IonicContact OE1-NH2 3.1Å; E2101-R2153 PolarHBondContact OE1-NH2 2.98Å; E2101-R2153 IonicContact OE2-NH2 2.73Å
2102L75.8Confident71.1Confident29 Ų2972.1 Ų72.115%0.15241%0.412CS..EExtended strand (participates in β ladder)trans-111.5112.7167.4-87.675.3000108.2P2072 V2075 A2092 L2148P2072-L2102 HydrophobicContact CG-CD2 4.22Å; V2075-L2102 HydrophobicContact CG2-CD2 4.48Å; A2092-L2102 HydrophobicContact CB-CD1 3.67Å; A2092-L2102 WeakPolarHBondContact O-CD1 3.35Å; L2102-L2148 HydrophobicContact CB-CD1 4.15Å; L2102-L2148 HydrophobicContact CD2-CD2 4.08Å; L2102-L2148 HydrophobicContact CG-CD1 4.39Å; L2102-L2148 HydrophobicContact CG-CD2 4.29Å
2103G73.3Confident71.1Confident19 Ų1972.3 Ų72.320%0.19641%0.413CS..EExtended strand (participates in β ladder)trans-133.5135179.400000112.9I2149G2103-I2149 PolarHBondContact N-O 3.32Å; G2103-I2149 WeakPolarHBondContact O-CA 3.39Å; G2103-I2149 WeakPolarHBondContact O-CB 3.44Å; G2103-I2149 PolarHBondContact O-N 2.88Å
2104M78.9Confident71.6Confident93 Ų9370 Ų7046%0.45840%0.404SS..EExtended strand (participates in β ladder)trans-64.1150.9172.4-67.2172.1-79.200111.4M2071M2071-M2104 HydrophobicContact CE-SD 3.87Å
2105I82.7Confident72.7Confident3 Ų372.7 Ų72.72%0.01541%0.407CS..PPolyproline II helixtrans-65.9134.8175.1-164.6167.3000110.7Q2109 L2110 I2147 I2149 I2317I2105-Q2109 HydrophobicContact CD1-CB 4.27Å; I2105-Q2109 HydrophobicContact CG1-CB 3.76Å; I2105-L2110 HydrophobicContact CD1-CB 4.07Å; I2105-L2110 HydrophobicContact CD1-CD1 4.43Å; I2105-L2110 HydrophobicContact CG1-CB 4.31Å; I2105-L2110 HydrophobicContact CG2-CB 4.24Å; I2105-I2147 HydrophobicContact CB-CB 4.31Å; I2105-I2147 HydrophobicContact CB-CG2 3.95Å; I2105-I2147 HydrophobicContact CD1-CG2 4.14Å; I2105-I2147 HydrophobicContact CG2-CB 3.65Å; I2105-I2147 HydrophobicContact CG2-CD1 4.38Å; I2105-I2147 HydrophobicContact CG2-CG2 3.78Å; I2105-I2147 PolarHBondContact N-O 2.91Å; I2105-I2149 HydrophobicContact CB-CD1 4.35Å; I2105-I2149 HydrophobicContact CG1-CD1 4.3Å; I2105-I2317 HydrophobicContact CD1-CD1 3.77Å
2106K82.2Confident73.9Confident133 Ų13368 Ų6858%0.57838%0.375SS*.PPolyproline II helixtrans-71.2147.5173.5-66.4-171.5174.6-171.60110.7D2108 Q2109 L2110K2106-D2108 PolarHBondContact O-N 2.82Å; K2106-Q2109 HydrophobicContact CB-CB 4.38Å; K2106-Q2109 HydrophobicContact CB-CG 4.15Å; K2106-Q2109 WeakPolarHBondContact O-CB 3.48Å; K2106-Q2109 PolarHBondContact O-N 3.36Å; K2106-L2110 PolarHBondContact O-N 2.9Å
2107P83.4Confident75.3Confident82 Ų8262.9 Ų62.953%0.53235%0.348SS..Hα-helixtrans-56.3-36.7177.922.2-33.5000112.4Q2109 L2110 A2111P2107-Q2109 PolarHBondContact O-N 3.32Å; P2107-L2110 PolarHBondContact O-N 3.43Å; P2107-A2111 VanDerWaalsContact O-CB 3.29Å; P2107-A2111 WeakPolarHBondContact O-CB 3.15Å; P2107-A2111 PolarHBondContact O-N 2.92Å
2108D80.3Confident76.7Confident122 Ų12256.8 Ų56.865%0.65232%0.324SS*.Hα-helixtrans-65.7-38.1176.5-42.9-47.5000112.3K2106 A2111 S2112K2106-D2108 PolarHBondContact O-N 2.82Å; D2108-A2111 PolarHBondContact O-N 3.28Å; D2108-S2112 WeakPolarHBondContact O-CB 3.5Å; D2108-S2112 PolarHBondContact O-N 3.07Å
2109Q80Confident77.8Confident49 Ų4953.7 Ų53.723%0.22931%0.307CS..Hα-helixtrans-69.3-45.1177.1-69.6175.6-5200110.3I2105 K2106 P2107 A2111 S2112 L2113I2105-Q2109 HydrophobicContact CD1-CB 4.27Å; I2105-Q2109 HydrophobicContact CG1-CB 3.76Å; K2106-Q2109 HydrophobicContact CB-CB 4.38Å; K2106-Q2109 HydrophobicContact CB-CG 4.15Å; K2106-Q2109 WeakPolarHBondContact O-CB 3.48Å; K2106-Q2109 PolarHBondContact O-N 3.36Å; P2107-Q2109 PolarHBondContact O-N 3.32Å; Q2109-A2111 VanDerWaalsContact C-N 3.33Å; Q2109-A2111 PolarHBondContact O-N 3.27Å; Q2109-S2112 PolarHBondContact O-N 2.92Å; Q2109-S2112 VanDerWaalsContact O-N 3.16Å; Q2109-S2112 PolarHBondContact O-OG 2.87Å; Q2109-L2113 PolarHBondContact O-N 3.42Å
2110L84Confident78.3Confident30 Ų3050.9 Ų50.916%0.15729%0.294CS..Hα-helixtrans-60.9-40.8174-178.858.3000111.8I2105 K2106 P2107 L2113 N2114 L2139 I2147I2105-L2110 HydrophobicContact CD1-CB 4.07Å; I2105-L2110 HydrophobicContact CD1-CD1 4.43Å; I2105-L2110 HydrophobicContact CG1-CB 4.31Å; I2105-L2110 HydrophobicContact CG2-CB 4.24Å; K2106-L2110 PolarHBondContact O-N 2.9Å; P2107-L2110 PolarHBondContact O-N 3.43Å; L2110-L2113 PolarHBondContact O-N 3.39Å; L2110-N2114 WeakPolarHBondContact O-CB 3.31Å; L2110-N2114 PolarHBondContact O-N 3.34Å; L2110-L2139 HydrophobicContact CD1-CD1 3.67Å; L2110-L2139 HydrophobicContact CD1-CD2 4.12Å; L2110-L2139 HydrophobicContact CD1-CG 3.98Å; L2110-I2147 HydrophobicContact CD1-CD1 3.77Å; L2110-I2147 HydrophobicContact CD2-CD1 4.5Å
2111A82.8Confident78.8Confident56 Ų5652.9 Ų52.946%0.46329%0.288SS..Hα-helixtrans-63.1-41.4173.500000111.9P2107 D2108 Q2109 N2114 Q2115P2107-A2111 VanDerWaalsContact O-CB 3.29Å; P2107-A2111 WeakPolarHBondContact O-CB 3.15Å; P2107-A2111 PolarHBondContact O-N 2.92Å; D2108-A2111 PolarHBondContact O-N 3.28Å; Q2109-A2111 VanDerWaalsContact C-N 3.33Å; Q2109-A2111 PolarHBondContact O-N 3.27Å; A2111-N2114 PolarHBondContact O-N 2.91Å; A2111-Q2115 WeakPolarHBondContact O-CB 3.37Å; A2111-Q2115 PolarHBondContact O-N 3.44Å
2112S81Confident78.6Confident53 Ų5354 Ų5437%0.37130%0.296SS..Hα-helixtrans-66.8-38.8177.277.50000113.2D2108 Q2109 Q2115 A2116D2108-S2112 WeakPolarHBondContact O-CB 3.5Å; D2108-S2112 PolarHBondContact O-N 3.07Å; Q2109-S2112 PolarHBondContact O-N 2.92Å; Q2109-S2112 VanDerWaalsContact O-N 3.16Å; Q2109-S2112 PolarHBondContact O-OG 2.87Å; S2112-Q2115 PolarHBondContact O-N 2.75Å; S2112-A2116 WeakPolarHBondContact O-CB 3.37Å; S2112-A2116 PolarHBondContact O-N 3.47Å
2113L83.3Confident78Confident3 Ų358.2 Ų58.22%0.01632%0.323CS..Hα-helixtrans-67.8-44.7174.7179.262000111.5Q2109 L2110 Q2115 A2116 L2117 L2139 F2241Q2109-L2113 PolarHBondContact O-N 3.42Å; L2110-L2113 PolarHBondContact O-N 3.39Å; L2113-Q2115 VanDerWaalsContact C-N 3.32Å; L2113-Q2115 PolarHBondContact O-N 2.67Å; L2113-A2116 PolarHBondContact O-N 3.34Å; L2113-L2117 HydrophobicContact CD1-CD1 4.13Å; L2113-L2117 HydrophobicContact CD1-CG 4.43Å; L2113-L2117 HydrophobicContact CG-CD1 4.16Å; L2113-L2117 WeakPolarHBondContact O-CG 3.43Å; L2113-L2117 PolarHBondContact O-N 3.42Å; L2113-L2139 HydrophobicContact CD2-CD1 4.16Å; L2113-L2139 HydrophobicContact CG-CD2 4.38Å; L2113-F2241 HydrophobicContact CD1-CZ 4.26Å; L2113-F2241 HydrophobicContact CD2-CE1 4.39Å
2114N85.7Confident77.7Confident52 Ų5268.8 Ų68.828%0.27836%0.357SS..Hα-helixtrans-61-41.3174.3-17839.4000111.3L2110 A2111 T2118 L2139L2110-N2114 WeakPolarHBondContact O-CB 3.31Å; L2110-N2114 PolarHBondContact O-N 3.34Å; A2111-N2114 PolarHBondContact O-N 2.91Å; N2114-T2118 VanDerWaalsContact O-CB 3.26Å; N2114-T2118 WeakPolarHBondContact O-CB 3.34Å; N2114-T2118 PolarHBondContact O-N 2.91Å; N2114-T2118 PolarHBondContact O-OG1 3.39Å; N2114-L2139 HydrophobicContact CB-CD2 3.64Å
2115Q83.1Confident77.1Confident90 Ų9066.4 Ų66.442%0.42135%0.346SS..Hα-helixtrans-63-48172.5-178.2175.111.400111.1A2111 S2112 L2113 L2117 T2118 D2119A2111-Q2115 WeakPolarHBondContact O-CB 3.37Å; A2111-Q2115 PolarHBondContact O-N 3.44Å; S2112-Q2115 PolarHBondContact O-N 2.75Å; L2113-Q2115 VanDerWaalsContact C-N 3.32Å; L2113-Q2115 PolarHBondContact O-N 2.67Å; Q2115-L2117 VanDerWaalsContact C-N 3.3Å; Q2115-L2117 PolarHBondContact O-N 2.93Å; Q2115-T2118 CarbonylContact O-C 3.58Å; Q2115-T2118 PolarHBondContact O-N 3.44Å; Q2115-D2119 WeakPolarHBondContact CG-OD2 3.4Å; Q2115-D2119 WeakPolarHBondContact O-CB 3.49Å; Q2115-D2119 PolarHBondContact O-N 3.26Å
2116A77.7Confident76.7Confident12 Ų1271.4 Ų71.410%0.09938%0.377CS..Hα-helixtrans-60.1-38.2-18000000112.9S2112 L2113 S2120 K2314S2112-A2116 WeakPolarHBondContact O-CB 3.37Å; S2112-A2116 PolarHBondContact O-N 3.47Å; L2113-A2116 PolarHBondContact O-N 3.34Å; A2116-S2120 VanDerWaalsContact O-CB 3.31Å; A2116-S2120 WeakPolarHBondContact O-CB 3.36Å; A2116-S2120 PolarHBondContact O-N 3.1Å; A2116-S2120 VanDerWaalsContact O-N 3.07Å; A2116-S2120 PolarHBondContact O-OG 3.2Å; A2116-K2314 HydrophobicContact CB-CB 4.18Å; A2116-K2314 WeakPolarHBondContact CB-O 3.43Å
2117L79.6Confident76.2Confident0 Ų069.6 Ų69.60%037%0.374CS..Hα-helixtrans-77-22.9175.1-68.6169.5000113.6L2113 Q2115 S2120 S2132 V2136 L2139 I2256 L2315L2113-L2117 HydrophobicContact CD1-CD1 4.13Å; L2113-L2117 HydrophobicContact CD1-CG 4.43Å; L2113-L2117 HydrophobicContact CG-CD1 4.16Å; L2113-L2117 WeakPolarHBondContact O-CG 3.43Å; L2113-L2117 PolarHBondContact O-N 3.42Å; Q2115-L2117 VanDerWaalsContact C-N 3.3Å; Q2115-L2117 PolarHBondContact O-N 2.93Å; L2117-S2120 WeakPolarHBondContact CA-OG 3.03Å; L2117-S2120 PolarHBondContact O-OG 2.97Å; L2117-S2132 PolarHBondContact O-OG 2.96Å; L2117-V2136 HydrophobicContact CB-CG2 4.23Å; L2117-L2139 HydrophobicContact CD1-CD2 4.26Å; L2117-I2256 HydrophobicContact CD2-CG2 4.47Å; L2117-L2315 HydrophobicContact CD2-CD1 3.88Å; L2117-L2315 HydrophobicContact CG-CD1 4.46Å
2118T79.8Confident75.6Confident59 Ų5965.7 Ų65.736%0.36235%0.348SS..Hα-helixtrans-80.3-32.4171.8-59.30000111.7N2114 Q2115 Y2121 V2136N2114-T2118 VanDerWaalsContact O-CB 3.26Å; N2114-T2118 WeakPolarHBondContact O-CB 3.34Å; N2114-T2118 PolarHBondContact O-N 2.91Å; N2114-T2118 PolarHBondContact O-OG1 3.39Å; Q2115-T2118 CarbonylContact O-C 3.58Å; Q2115-T2118 PolarHBondContact O-N 3.44Å; T2118-Y2121 WeakPolarHBondContact O-CD1 3.3Å; T2118-Y2121 VanDerWaalsContact O-CE1 3.23Å; T2118-Y2121 WeakPolarHBondContact O-CE1 3.45Å; T2118-V2136 WeakPolarHBondContact OG1-CG2 3.46Å
2119D74.3Confident75.5Confident80 Ų8062.1 Ų62.143%0.42833%0.329SS..Hα-helixtrans-81.4-18.5175.9-71.2-20.3000111.9Q2115 Y2121Q2115-D2119 WeakPolarHBondContact CG-OD2 3.4Å; Q2115-D2119 WeakPolarHBondContact O-CB 3.49Å; Q2115-D2119 PolarHBondContact O-N 3.26Å; D2119-Y2121 PolarHBondContact O-N 3.42Å; D2119-Y2121 VanDerWaalsContact O-N 3.13Å
2120S65.1Low75.5Confident18 Ų1864.5 Ų64.513%0.12634%0.343CS..  trans-85.965.1178.970.80000113.3A2116 L2117 T2259A2116-S2120 VanDerWaalsContact O-CB 3.31Å; A2116-S2120 WeakPolarHBondContact O-CB 3.36Å; A2116-S2120 PolarHBondContact O-N 3.1Å; A2116-S2120 VanDerWaalsContact O-N 3.07Å; A2116-S2120 PolarHBondContact O-OG 3.2Å; L2117-S2120 WeakPolarHBondContact CA-OG 3.03Å; L2117-S2120 PolarHBondContact O-OG 2.97Å; S2120-T2259 WeakPolarHBondContact OG-CG2 3.36Å
2121Y71.3Confident75.2Confident108 Ų10864.8 Ų64.842%0.42434%0.342SS..  trans-139.1152162.470.6-86.7000111.8T2118 D2119 T2123 I2129 D2263T2118-Y2121 WeakPolarHBondContact O-CD1 3.3Å; T2118-Y2121 VanDerWaalsContact O-CE1 3.23Å; T2118-Y2121 WeakPolarHBondContact O-CE1 3.45Å; D2119-Y2121 PolarHBondContact O-N 3.42Å; D2119-Y2121 VanDerWaalsContact O-N 3.13Å; Y2121-T2123 HydrophobicContact CE2-CG2 3.89Å; Y2121-I2129 HydrophobicContact CD2-CD1 4.43Å; Y2121-I2129 HydrophobicContact CD2-CG1 3.63Å; Y2121-I2129 HydrophobicContact CE2-CG1 4.32Å; Y2121-I2129 HydrophobicContact CG-CG1 4.26Å; Y2121-D2263 WeakPolarHBondContact CA-OD2 3.33Å
2122T66.8Low75.1Confident44 Ų4462.5 Ų62.527%0.2732%0.322SS..  trans-94.5115177.4-600000109.9R2124 D2125 S2128 D2263 G2264T2122-R2124 PolarHBondContact O-N 2.82Å; T2122-D2125 HydrophobicContact CG2-CB 4.39Å; T2122-D2125 PolarHBondContact O-N 3.27Å; T2122-S2128 WeakPolarHBondContact CA-OG 3.41Å; T2122-S2128 WeakPolarHBondContact CB-OG 3.36Å; T2122-S2128 PolarHBondContact N-OG 2.69Å; T2122-S2128 PolarHBondContact O-OG 2.99Å; T2122-D2263 PolarHBondContact N-OD2 3.03Å; T2122-D2263 VanDerWaalsContact N-OD2 3.15Å; T2122-D2263 PolarHBondContact OG1-OD2 3.35Å; T2122-G2264 VanDerWaalsContact OG1-CA 3.27Å; T2122-G2264 WeakPolarHBondContact OG1-CA 3.49Å
2123T63.5Low75.2Confident117 Ų11768.5 Ų68.572%0.71834%0.337SS*.THydrogen-bonded Turntrans-57.3-11.8-174.8540000116Y2121Y2121-T2123 HydrophobicContact CE2-CG2 3.89Å
2124R66.1Low75.2Confident241 Ų24172.5 Ų72.591%0.90936%0.356SS*.THydrogen-bonded Turntrans-101-19.1175-77.9-177.8168.2173.1-3.7115.4T2122T2122-R2124 PolarHBondContact O-N 2.82Å
2125D67.1Low75Confident42 Ų4270 Ų7023%0.22534%0.343CS..  trans-104.7113.1-175.417427.5000110.5T2122 N2127 S2128 I2129 R2131T2122-D2125 HydrophobicContact CG2-CB 4.39Å; T2122-D2125 PolarHBondContact O-N 3.27Å; D2125-N2127 PolarHBondContact O-N 3.42Å; D2125-N2127 VanDerWaalsContact OD1-CB 3.3Å; D2125-N2127 WeakPolarHBondContact OD1-CB 3.32Å; D2125-N2127 PolarHBondContact OD1-N 2.88Å; D2125-N2127 PolarHBondContact OD1-ND2 3.16Å; D2125-S2128 PolarHBondContact O-N 3.02Å; D2125-S2128 PolarHBondContact O-OG 2.93Å; D2125-S2128 WeakPolarHBondContact OD2-CB 3.36Å; D2125-S2128 PolarHBondContact OD2-N 3.32Å; D2125-I2129 PolarHBondContact O-N 3.34Å; D2125-R2131 IonicContact OD2-CZ 2.59Å; D2125-R2131 IonicContact OD2-NH1 2.78Å; D2125-R2131 IonicContact OD2-NH2 3.75Å; D2125-R2131 PolarHBondContact OD2-NH2 3.12Å
2126T74.8Confident75.1Confident108 Ų10866.6 Ų66.666%0.66333%0.328SS*.Hα-helixtrans-61-27.7175.7460000112.5L2130T2126-L2130 WeakPolarHBondContact O-CB 3.14Å; T2126-L2130 PolarHBondContact O-N 3.42Å; T2126-L2130 VanDerWaalsContact O-N 3.09Å
2127N70.2Confident75.4Confident95 Ų9570 Ų7051%0.50835%0.352SS..Hα-helixtrans-72.1-41.1177-51.5-73.6000110.9D2125 I2129 L2130 R2131D2125-N2127 PolarHBondContact O-N 3.42Å; D2125-N2127 VanDerWaalsContact OD1-CB 3.3Å; D2125-N2127 WeakPolarHBondContact OD1-CB 3.32Å; D2125-N2127 PolarHBondContact OD1-N 2.88Å; D2125-N2127 PolarHBondContact OD1-ND2 3.16Å; N2127-I2129 PolarHBondContact O-N 2.93Å; N2127-L2130 CarbonylContact O-C 3.49Å; N2127-L2130 WeakPolarHBondContact O-CA 3.49Å; N2127-L2130 WeakPolarHBondContact O-CB 3.37Å; N2127-L2130 PolarHBondContact O-N 2.65Å; N2127-L2130 VanDerWaalsContact O-N 3.1Å; N2127-R2131 WeakPolarHBondContact O-CG 3.44Å; N2127-R2131 PolarHBondContact O-N 2.85Å
2128S71.5Confident75.7Confident0 Ų072.3 Ų72.30%036%0.361CS..Hα-helixtrans-57.9-44.4172.573.60000113.4T2122 D2125 L2130 R2131 S2132 D2263T2122-S2128 WeakPolarHBondContact CA-OG 3.41Å; T2122-S2128 WeakPolarHBondContact CB-OG 3.36Å; T2122-S2128 PolarHBondContact N-OG 2.69Å; T2122-S2128 PolarHBondContact O-OG 2.99Å; D2125-S2128 PolarHBondContact O-N 3.02Å; D2125-S2128 PolarHBondContact O-OG 2.93Å; D2125-S2128 WeakPolarHBondContact OD2-CB 3.36Å; D2125-S2128 PolarHBondContact OD2-N 3.32Å; S2128-L2130 PolarHBondContact O-N 3.27Å; S2128-R2131 VanDerWaalsContact CA-NH2 3.27Å; S2128-R2131 VanDerWaalsContact CB-NH2 3.31Å; S2128-R2131 PolarHBondContact O-N 2.72Å; S2128-S2132 WeakPolarHBondContact O-CB 3.29Å; S2128-S2132 PolarHBondContact O-N 3.28Å; S2128-D2263 WeakPolarHBondContact CA-OD1 3.24Å; S2128-D2263 WeakPolarHBondContact CB-OD1 3.44Å; S2128-D2263 VanDerWaalsContact CB-OD2 3.25Å; S2128-D2263 WeakPolarHBondContact CB-OD2 3.4Å
2129I77.7Confident76Confident48 Ų4869.8 Ų69.825%0.24635%0.345CS..Hα-helixtrans-62.7-36.9176.4-64.4168.1000109.8Y2121 D2125 N2127 R2133Y2121-I2129 HydrophobicContact CD2-CD1 4.43Å; Y2121-I2129 HydrophobicContact CD2-CG1 3.63Å; Y2121-I2129 HydrophobicContact CE2-CG1 4.32Å; Y2121-I2129 HydrophobicContact CG-CG1 4.26Å; D2125-I2129 PolarHBondContact O-N 3.34Å; N2127-I2129 PolarHBondContact O-N 2.93Å; I2129-R2133 VanDerWaalsContact O-CB 3.26Å; I2129-R2133 WeakPolarHBondContact O-CB 3.45Å; I2129-R2133 WeakPolarHBondContact O-CD 3.49Å; I2129-R2133 WeakPolarHBondContact O-CG 3.22Å; I2129-R2133 PolarHBondContact O-N 3.41Å
2130L79.5Confident76.5Confident98 Ų9873.3 Ų73.351%0.51336%0.357SS..Hα-helixtrans-71.9-40.9176.5-161.5151.3000111.7T2126 N2127 S2128 R2133 M2134T2126-L2130 WeakPolarHBondContact O-CB 3.14Å; T2126-L2130 PolarHBondContact O-N 3.42Å; T2126-L2130 VanDerWaalsContact O-N 3.09Å; N2127-L2130 CarbonylContact O-C 3.49Å; N2127-L2130 WeakPolarHBondContact O-CA 3.49Å; N2127-L2130 WeakPolarHBondContact O-CB 3.37Å; N2127-L2130 PolarHBondContact O-N 2.65Å; N2127-L2130 VanDerWaalsContact O-N 3.1Å; S2128-L2130 PolarHBondContact O-N 3.27Å; L2130-R2133 PolarHBondContact O-N 2.9Å; L2130-M2134 HydrophobicContact CD2-CE 3.75Å; L2130-M2134 HydrophobicContact CD2-CG 4Å; L2130-M2134 HydrophobicContact CD2-SD 3.69Å; L2130-M2134 WeakPolarHBondContact O-CB 3.22Å; L2130-M2134 VanDerWaalsContact O-CG 3.31Å; L2130-M2134 WeakPolarHBondContact O-CG 3.32Å; L2130-M2134 PolarHBondContact O-N 3.44Å
2131R78.8Confident77.2Confident36 Ų3675.4 Ų75.414%0.13638%0.381CS..Hα-helixtrans-59.3-54.9173.4-73.4-172.6-64.1-103.2-3.4111.8D2125 N2127 S2128 R2133 M2134 S2135 N2258 T2259 N2262 D2263D2125-R2131 IonicContact OD2-CZ 2.59Å; D2125-R2131 IonicContact OD2-NH1 2.78Å; D2125-R2131 IonicContact OD2-NH2 3.75Å; D2125-R2131 PolarHBondContact OD2-NH2 3.12Å; N2127-R2131 WeakPolarHBondContact O-CG 3.44Å; N2127-R2131 PolarHBondContact O-N 2.85Å; S2128-R2131 VanDerWaalsContact CA-NH2 3.27Å; S2128-R2131 VanDerWaalsContact CB-NH2 3.31Å; S2128-R2131 PolarHBondContact O-N 2.72Å; R2131-R2133 VanDerWaalsContact C-N 3.33Å; R2131-R2133 PolarHBondContact O-N 3.12Å; R2131-M2134 PolarHBondContact O-N 3.08Å; R2131-M2134 VanDerWaalsContact O-N 3.11Å; R2131-S2135 PolarHBondContact O-N 2.93Å; R2131-S2135 PolarHBondContact O-OG 3.02Å; R2131-N2258 WeakPolarHBondContact CD-O 3.41Å; R2131-T2259 HydrophobicContact CB-CG2 4.37Å; R2131-T2259 PolarHBondContact O-OG1 3.06Å; R2131-N2262 PolarHBondContact NH2-O 3.34Å; R2131-D2263 IonicContact CZ-OD1 2.65Å; R2131-D2263 VanDerWaalsContact CZ-OD1 3.28Å; R2131-D2263 IonicContact NE-OD1 2.63Å; R2131-D2263 PolarHBondContact NE-OD1 2.84Å; R2131-D2263 IonicContact NH2-OD1 3.34Å; R2131-D2263 PolarHBondContact NH2-OD1 3.05Å
2132S80.4Confident77.7Confident8 Ų871.9 Ų71.96%0.05637%0.367CS..Hα-helixtrans-55.5-45.8174.8169.40000111.7L2117 S2128 M2134 S2135 V2136L2117-S2132 PolarHBondContact O-OG 2.96Å; S2128-S2132 WeakPolarHBondContact O-CB 3.29Å; S2128-S2132 PolarHBondContact O-N 3.28Å; S2132-M2134 PolarHBondContact O-N 3.34Å; S2132-S2135 PolarHBondContact O-N 3.01Å; S2132-V2136 WeakPolarHBondContact O-CB 3.26Å; S2132-V2136 WeakPolarHBondContact O-CG2 3.5Å; S2132-V2136 PolarHBondContact O-N 3.11Å
2133R83.1Confident78.5Confident180 Ų18072.4 Ų72.468%0.67937%0.37SS*.Hα-helixtrans-63-38.9175.6-76.4172.8-179.1-171.61.1113.3I2129 L2130 R2131 S2137I2129-R2133 VanDerWaalsContact O-CB 3.26Å; I2129-R2133 WeakPolarHBondContact O-CB 3.45Å; I2129-R2133 WeakPolarHBondContact O-CD 3.49Å; I2129-R2133 WeakPolarHBondContact O-CG 3.22Å; I2129-R2133 PolarHBondContact O-N 3.41Å; L2130-R2133 PolarHBondContact O-N 2.9Å; R2131-R2133 VanDerWaalsContact C-N 3.33Å; R2131-R2133 PolarHBondContact O-N 3.12Å; R2133-S2137 WeakPolarHBondContact O-CB 3.36Å; R2133-S2137 PolarHBondContact O-N 3.08Å
2134M82Confident79.4Confident86 Ų8672.1 Ų72.142%0.42436%0.357SS..Hα-helixtrans-64.4-41.1173.7-74.2-171.1-52.800111.3L2130 R2131 S2132 S2137 Y2138L2130-M2134 HydrophobicContact CD2-CE 3.75Å; L2130-M2134 HydrophobicContact CD2-CG 4Å; L2130-M2134 HydrophobicContact CD2-SD 3.69Å; L2130-M2134 WeakPolarHBondContact O-CB 3.22Å; L2130-M2134 VanDerWaalsContact O-CG 3.31Å; L2130-M2134 WeakPolarHBondContact O-CG 3.32Å; L2130-M2134 PolarHBondContact O-N 3.44Å; R2131-M2134 PolarHBondContact O-N 3.08Å; R2131-M2134 VanDerWaalsContact O-N 3.11Å; S2132-M2134 PolarHBondContact O-N 3.34Å; M2134-S2137 PolarHBondContact O-N 3.14Å; M2134-Y2138 VanDerWaalsContact O-CB 3.24Å; M2134-Y2138 WeakPolarHBondContact O-CB 3.34Å; M2134-Y2138 PolarHBondContact O-N 3.23Å
2135S82.2Confident80Confident0 Ų064.2 Ų64.20%033%0.33CS..Hα-helixtrans-67-46.4177.3-67.60000113R2131 S2132 S2137 Y2138 L2139 S2255 I2256 T2259R2131-S2135 PolarHBondContact O-N 2.93Å; R2131-S2135 PolarHBondContact O-OG 3.02Å; S2132-S2135 PolarHBondContact O-N 3.01Å; S2135-S2137 VanDerWaalsContact C-N 3.3Å; S2135-S2137 PolarHBondContact O-N 3.5Å; S2135-Y2138 PolarHBondContact O-N 3.18Å; S2135-L2139 WeakPolarHBondContact O-CB 3.46Å; S2135-L2139 PolarHBondContact O-N 3.36Å; S2135-S2255 PolarHBondContact OG-O 3.41Å; S2135-I2256 WeakPolarHBondContact OG-CA 3.1Å; S2135-I2256 PolarHBondContact OG-N 3.42Å; S2135-T2259 PolarHBondContact OG-OG1 2.71Å
2136V85.4Confident80.8Confident18 Ų1862.4 Ų62.411%0.10932%0.32CS..Hα-helixtrans-66.1-33.6174.8172.80000111.2L2117 T2118 S2132 K2140L2117-V2136 HydrophobicContact CB-CG2 4.23Å; T2118-V2136 WeakPolarHBondContact OG1-CG2 3.46Å; S2132-V2136 WeakPolarHBondContact O-CB 3.26Å; S2132-V2136 WeakPolarHBondContact O-CG2 3.5Å; S2132-V2136 PolarHBondContact O-N 3.11Å; V2136-K2140 HydrophobicContact CG1-CD 4.21Å; V2136-K2140 WeakPolarHBondContact O-CB 3.28Å; V2136-K2140 WeakPolarHBondContact O-CG 3.22Å; V2136-K2140 PolarHBondContact O-N 2.93Å; V2136-K2140 VanDerWaalsContact O-N 3.07Å
2137S84.3Confident81.4Confident85 Ų8557.2 Ų57.259%0.59429%0.289SS*.Hα-helixtrans-73.3-33.3174.1-168.70000113R2133 M2134 S2135 G2141R2133-S2137 WeakPolarHBondContact O-CB 3.36Å; R2133-S2137 PolarHBondContact O-N 3.08Å; M2134-S2137 PolarHBondContact O-N 3.14Å; S2135-S2137 VanDerWaalsContact C-N 3.3Å; S2135-S2137 PolarHBondContact O-N 3.5Å; S2137-G2141 PolarHBondContact O-N 3.06Å
2138Y86.7Confident82.1Confident48 Ų4853.4 Ų53.419%0.18827%0.268CS..Hα-helixtrans-69.1-47.5174.1-176.4-88.5000110.2M2134 S2135 K2140 G2141 Y2142 Q2243 P2253 S2255 I2256 F2335M2134-Y2138 VanDerWaalsContact O-CB 3.24Å; M2134-Y2138 WeakPolarHBondContact O-CB 3.34Å; M2134-Y2138 PolarHBondContact O-N 3.23Å; S2135-Y2138 PolarHBondContact O-N 3.18Å; Y2138-K2140 VanDerWaalsContact C-N 3.28Å; Y2138-K2140 PolarHBondContact O-N 3.32Å; Y2138-G2141 PolarHBondContact O-N 2.64Å; Y2138-Y2142 HydrophobicContact CD1-CE2 4.09Å; Y2138-Y2142 HydrophobicContact CE1-CD2 4.42Å; Y2138-Y2142 AromaticContact CE1-CE2 3.64Å; Y2138-Y2142 HydrophobicContact CE1-CE2 3.64Å; Y2138-Y2142 HydrophobicContact CE2-CE2 4.33Å; Y2138-Y2142 AromaticContact CZ-CE2 3.78Å; Y2138-Y2142 WeakPolarHBondContact O-CD2 3.44Å; Y2138-Y2142 PolarHBondContact OH-OH 3.49Å; Y2138-Q2243 PolarHBondContact OH-OE1 2.96Å; Y2138-P2253 HydrophobicContact CD1-CB 4.49Å; Y2138-P2253 HydrophobicContact CE1-CB 3.69Å; Y2138-S2255 WeakPolarHBondContact CB-OG 3.28Å; Y2138-S2255 WeakPolarHBondContact CD2-OG 3.03Å; Y2138-S2255 VanDerWaalsContact CG-OG 3.27Å; Y2138-I2256 HydrophobicContact CD1-CD1 4.08Å; Y2138-I2256 HydrophobicContact CD1-CG1 4.32Å; Y2138-I2256 HydrophobicContact CE1-CD1 4.28Å; Y2138-F2335 HydrophobicContact CE1-CD1 4.45Å; Y2138-F2335 HydrophobicContact CE1-CD2 4.46Å; Y2138-F2335 HydrophobicContact CE1-CG 4.38Å
2139L85.8Confident82.9Confident6 Ų653.4 Ų53.43%0.03127%0.268CS..Hα-helixtrans-60.5-37177-169.365000112.2L2110 L2113 N2114 L2117 S2135 G2141 Y2142 I2147 F2335L2110-L2139 HydrophobicContact CD1-CD1 3.67Å; L2110-L2139 HydrophobicContact CD1-CD2 4.12Å; L2110-L2139 HydrophobicContact CD1-CG 3.98Å; L2113-L2139 HydrophobicContact CD2-CD1 4.16Å; L2113-L2139 HydrophobicContact CG-CD2 4.38Å; N2114-L2139 HydrophobicContact CB-CD2 3.64Å; L2117-L2139 HydrophobicContact CD1-CD2 4.26Å; S2135-L2139 WeakPolarHBondContact O-CB 3.46Å; S2135-L2139 PolarHBondContact O-N 3.36Å; L2139-G2141 PolarHBondContact O-N 2.8Å; L2139-Y2142 PolarHBondContact O-N 3.41Å; L2139-I2147 HydrophobicContact CD1-CD1 4.18Å; L2139-F2335 HydrophobicContact CD1-CE1 3.92Å; L2139-F2335 HydrophobicContact CD1-CZ 4.4Å
2140K84.5Confident83.3Confident154 Ų15451.1 Ų51.167%0.6726%0.257SS*.THydrogen-bonded Turntrans-70.4-6.5173-77175.1-179.9-179.30114.9V2136 Y2138 Y2142V2136-K2140 HydrophobicContact CG1-CD 4.21Å; V2136-K2140 WeakPolarHBondContact O-CB 3.28Å; V2136-K2140 WeakPolarHBondContact O-CG 3.22Å; V2136-K2140 PolarHBondContact O-N 2.93Å; V2136-K2140 VanDerWaalsContact O-N 3.07Å; Y2138-K2140 VanDerWaalsContact C-N 3.28Å; Y2138-K2140 PolarHBondContact O-N 3.32Å; K2140-Y2142 VanDerWaalsContact C-N 3.31Å
2141G80Confident83.5Confident62 Ų6248.2 Ų48.264%0.63924%0.239SC*.THydrogen-bonded Turntrans-77.7-15.9171.900000113.8S2137 Y2138 L2139S2137-G2141 PolarHBondContact O-N 3.06Å; Y2138-G2141 PolarHBondContact O-N 2.64Å; L2139-G2141 PolarHBondContact O-N 2.8Å
2142Y82.2Confident83.8Confident34 Ų3446.6 Ų46.613%0.13323%0.233CC..SBendtrans-121.3147.7-175.4-59.3-86.7000110.6Y2138 L2139 K2140 D2146 Q2243 F2335Y2138-Y2142 HydrophobicContact CD1-CE2 4.09Å; Y2138-Y2142 HydrophobicContact CE1-CD2 4.42Å; Y2138-Y2142 AromaticContact CE1-CE2 3.64Å; Y2138-Y2142 HydrophobicContact CE1-CE2 3.64Å; Y2138-Y2142 HydrophobicContact CE2-CE2 4.33Å; Y2138-Y2142 AromaticContact CZ-CE2 3.78Å; Y2138-Y2142 WeakPolarHBondContact O-CD2 3.44Å; Y2138-Y2142 PolarHBondContact OH-OH 3.49Å; L2139-Y2142 PolarHBondContact O-N 3.41Å; K2140-Y2142 VanDerWaalsContact C-N 3.31Å; Y2142-D2146 HydrophobicContact CD1-CB 3.96Å; Y2142-Q2243 PolarHBondContact OH-NE2 2.72Å; Y2142-Q2243 VanDerWaalsContact OH-NE2 3.11Å; Y2142-F2335 HydrophobicContact CD1-CB 4.32Å; Y2142-F2335 AromaticContact CD2-CD1 3.84Å; Y2142-F2335 HydrophobicContact CD2-CD1 3.84Å; Y2142-F2335 HydrophobicContact CE1-CB 3.97Å; Y2142-F2335 HydrophobicContact CE2-CB 4.26Å; Y2142-F2335 HydrophobicContact CE2-CD1 4.12Å; Y2142-F2335 HydrophobicContact CE2-CG 4.45Å; Y2142-F2335 HydrophobicContact CG-CD1 4.07Å
2143T81.6Confident84Confident55 Ų5550.3 Ų50.334%0.33725%0.246SC..  trans-91.7176.516973.10000110.8E2145 D2146 I2147 R2338T2143-E2145 PolarHBondContact O-N 3.48Å; T2143-E2145 PolarHBondContact OG1-N 3.14Å; T2143-D2146 WeakPolarHBondContact CA-OD2 3.34Å; T2143-D2146 VanDerWaalsContact CB-OD2 3.29Å; T2143-D2146 WeakPolarHBondContact CB-OD2 3.24Å; T2143-D2146 PolarHBondContact N-OD2 3.35Å; T2143-D2146 PolarHBondContact O-N 2.9Å; T2143-D2146 PolarHBondContact OG1-OD2 3.25Å; T2143-I2147 WeakPolarHBondContact O-CG1 3.18Å; T2143-R2338 PolarHBondContact OG1-NH2 2.99Å; T2143-R2338 VanDerWaalsContact OG1-NH2 3.17Å
2144Y84Confident83.9Confident110 Ų11041.7 Ų41.743%0.43121%0.213SC..SBendtrans-64.8-21.1174.465.5-93.4000112.9
2145E78.8Confident84Confident76 Ų7639.1 Ų39.136%0.35520%0.2SC..THydrogen-bonded Turntrans-77.9-31.1177.7-56.2178.4165.200111.2I2069 T2143 I2147I2069-E2145 HydrophobicContact CD1-CB 4.4Å; I2069-E2145 WeakPolarHBondContact CD1-O 3.33Å; T2143-E2145 PolarHBondContact O-N 3.48Å; T2143-E2145 PolarHBondContact OG1-N 3.14Å; E2145-I2147 PolarHBondContact O-N 2.65Å
2146D82.6Confident84.2Confident3 Ų339.9 Ų39.92%0.01621%0.205CC..THydrogen-bonded Turntrans-82.83.4-179.6-49.4-70.5000113.1Y2142 T2143 I2336 R2338Y2142-D2146 HydrophobicContact CD1-CB 3.96Å; T2143-D2146 WeakPolarHBondContact CA-OD2 3.34Å; T2143-D2146 VanDerWaalsContact CB-OD2 3.29Å; T2143-D2146 WeakPolarHBondContact CB-OD2 3.24Å; T2143-D2146 PolarHBondContact N-OD2 3.35Å; T2143-D2146 PolarHBondContact O-N 2.9Å; T2143-D2146 PolarHBondContact OG1-OD2 3.25Å; D2146-I2336 PolarHBondContact O-N 3.33Å; D2146-R2338 WeakPolarHBondContact OD1-CG 3.41Å; D2146-R2338 IonicContact OD1-CZ 3.8Å; D2146-R2338 IonicContact OD1-NE 2.78Å; D2146-R2338 PolarHBondContact OD1-NE 3.42Å; D2146-R2338 IonicContact OD1-NH2 2.79Å; D2146-R2338 PolarHBondContact OD1-NH2 3.14Å; D2146-R2338 VanDerWaalsContact OD1-NH2 3.13Å; D2146-R2338 IonicContact OD2-CZ 3.62Å; D2146-R2338 IonicContact OD2-NE 2.74Å; D2146-R2338 PolarHBondContact OD2-NE 2.87Å; D2146-R2338 IonicContact OD2-NH2 3.69Å; D2146-R2338 PolarHBondContact OD2-NH2 2.99Å
2147I87.9Confident84.1Confident0 Ų044.3 Ų44.30%023%0.225CC..EExtended strand (participates in β ladder)trans-124.1108.4-175.7-58.3170.9000109.9I2105 L2110 L2139 T2143 E2145 V2333 F2335I2105-I2147 HydrophobicContact CB-CB 4.31Å; I2105-I2147 HydrophobicContact CB-CG2 3.95Å; I2105-I2147 HydrophobicContact CD1-CG2 4.14Å; I2105-I2147 HydrophobicContact CG2-CB 3.65Å; I2105-I2147 HydrophobicContact CG2-CD1 4.38Å; I2105-I2147 HydrophobicContact CG2-CG2 3.78Å; I2105-I2147 PolarHBondContact N-O 2.91Å; L2110-I2147 HydrophobicContact CD1-CD1 3.77Å; L2110-I2147 HydrophobicContact CD2-CD1 4.5Å; L2139-I2147 HydrophobicContact CD1-CD1 4.18Å; T2143-I2147 WeakPolarHBondContact O-CG1 3.18Å; E2145-I2147 PolarHBondContact O-N 2.65Å; I2147-V2333 HydrophobicContact CG2-CG1 3.94Å; I2147-F2335 HydrophobicContact CD1-CD1 4.12Å; I2147-F2335 HydrophobicContact CD1-CE1 3.87Å; I2147-F2335 HydrophobicContact CG1-CD1 3.78Å; I2147-F2335 HydrophobicContact CG1-CE1 3.98Å; I2147-F2335 HydrophobicContact CG2-CE1 4.45Å
2148L85.4Confident84.1Confident14 Ų1444 Ų447%0.07322%0.216CC..EExtended strand (participates in β ladder)trans-99.5138.4-177.7-175.467.1000111.3P2072 L2102 V2150 V2333 G2334 I2336P2072-L2148 HydrophobicContact CG-CD2 3.53Å; L2102-L2148 HydrophobicContact CB-CD1 4.15Å; L2102-L2148 HydrophobicContact CD2-CD2 4.08Å; L2102-L2148 HydrophobicContact CG-CD1 4.39Å; L2102-L2148 HydrophobicContact CG-CD2 4.29Å; L2148-V2150 HydrophobicContact CD2-CG2 3.82Å; L2148-V2150 HydrophobicContact CG-CG2 4.03Å; L2148-V2333 CarbonylContact O-C 3.42Å; L2148-V2333 WeakPolarHBondContact O-CA 3.49Å; L2148-G2334 PolarHBondContact N-O 2.9Å; L2148-G2334 PolarHBondContact O-N 3.35Å; L2148-I2336 HydrophobicContact CB-CD1 4.01Å; L2148-I2336 HydrophobicContact CD2-CD1 4.32Å
2149I86.8Confident83.9Confident0 Ų048.5 Ų48.50%023%0.233CC..EExtended strand (participates in β ladder)trans-105.4116.1166.8-54.4174.5000107.3G2103 I2105 R2151 I2317 Q2331G2103-I2149 PolarHBondContact N-O 3.32Å; G2103-I2149 WeakPolarHBondContact O-CA 3.39Å; G2103-I2149 WeakPolarHBondContact O-CB 3.44Å; G2103-I2149 PolarHBondContact O-N 2.88Å; I2105-I2149 HydrophobicContact CB-CD1 4.35Å; I2105-I2149 HydrophobicContact CG1-CD1 4.3Å; I2149-R2151 HydrophobicContact CG2-CG 4.39Å; I2149-I2317 HydrophobicContact CD1-CG2 4.34Å; I2149-Q2331 HydrophobicContact CG2-CG 3.64Å
2150V86.1Confident83.9Confident1 Ų148.7 Ų48.71%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-99.3133.3176-171.90000108.8V2075 A2092 L2148 F2152 F2188 Q2331 V2332V2075-V2150 HydrophobicContact CB-CG1 4.09Å; V2075-V2150 HydrophobicContact CG1-CG1 4.3Å; V2075-V2150 HydrophobicContact CG2-CG1 4.37Å; V2075-V2150 HydrophobicContact CG2-CG2 4.21Å; A2092-V2150 HydrophobicContact CB-CG1 3.92Å; L2148-V2150 HydrophobicContact CD2-CG2 3.82Å; L2148-V2150 HydrophobicContact CG-CG2 4.03Å; V2150-F2152 HydrophobicContact CB-CE2 4.37Å; V2150-F2152 HydrophobicContact CB-CZ 4.4Å; V2150-F2152 HydrophobicContact CG1-CD2 4.42Å; V2150-F2152 HydrophobicContact CG1-CE1 3.88Å; V2150-F2152 HydrophobicContact CG1-CE2 3.76Å; V2150-F2152 HydrophobicContact CG1-CZ 3.45Å; V2150-F2152 VanDerWaalsContact CG1-CZ 3.45Å; V2150-F2188 HydrophobicContact CG2-CE1 4.12Å; V2150-F2188 HydrophobicContact CG2-CZ 4.42Å; V2150-Q2331 WeakPolarHBondContact O-CA 3.24Å; V2150-V2332 PolarHBondContact N-O 3.38Å; V2150-V2332 PolarHBondContact O-N 3.15Å
2151R84.5Confident83.7Confident37 Ų3745.3 Ų45.314%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-124.4112.3179.1-58.1-174.2-175103.97.1110.7A2100 E2101 I2149 Y2329 Q2331A2100-R2151 PolarHBondContact O-NH1 2.95Å; E2101-R2151 PolarHBondContact O-N 2.68Å; I2149-R2151 HydrophobicContact CG2-CG 4.39Å; R2151-Y2329 HydrophobicContact CB-CD1 3.87Å; R2151-Y2329 HydrophobicContact CB-CG 4.35Å; R2151-Q2331 HydrophobicContact CG-CG 4.43Å
2152F85.7Confident83.7Confident1 Ų143.7 Ų43.70%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-90.9138.5173.3-52.7-79.5000109.6V2075 L2077 Y2088 M2090 A2092 V2150 L2186 Y2329 L2330 V2332V2075-F2152 HydrophobicContact CG1-CE1 4.3Å; V2075-F2152 HydrophobicContact CG1-CZ 3.93Å; L2077-F2152 HydrophobicContact CB-CD1 3.83Å; L2077-F2152 HydrophobicContact CB-CD2 4.42Å; L2077-F2152 HydrophobicContact CB-CE1 3.6Å; L2077-F2152 HydrophobicContact CB-CE2 4.21Å; L2077-F2152 HydrophobicContact CB-CG 4.24Å; L2077-F2152 HydrophobicContact CB-CZ 3.81Å; L2077-F2152 HydrophobicContact CD2-CD1 4.42Å; L2077-F2152 HydrophobicContact CD2-CD2 3.74Å; L2077-F2152 HydrophobicContact CD2-CE2 3.99Å; L2077-F2152 HydrophobicContact CD2-CG 3.98Å; L2077-F2152 HydrophobicContact CD2-CZ 4.44Å; Y2088-F2152 WeakPolarHBondContact OH-CB 3.45Å; M2090-F2152 HydrophobicContact CB-CB 4.43Å; M2090-F2152 HydrophobicContact CB-CD1 4.32Å; M2090-F2152 HydrophobicContact CG-CB 3.82Å; M2090-F2152 HydrophobicContact CG-CD1 3.96Å; M2090-F2152 HydrophobicContact CG-CG 4.4Å; A2092-F2152 HydrophobicContact CB-CD1 4.12Å; A2092-F2152 HydrophobicContact CB-CE1 4.08Å; V2150-F2152 HydrophobicContact CB-CE2 4.37Å; V2150-F2152 HydrophobicContact CB-CZ 4.4Å; V2150-F2152 HydrophobicContact CG1-CD2 4.42Å; V2150-F2152 HydrophobicContact CG1-CE1 3.88Å; V2150-F2152 HydrophobicContact CG1-CE2 3.76Å; V2150-F2152 HydrophobicContact CG1-CZ 3.45Å; V2150-F2152 VanDerWaalsContact CG1-CZ 3.45Å; F2152-L2186 HydrophobicContact CE2-CD1 4.34Å; F2152-L2186 HydrophobicContact CZ-CD1 3.69Å; F2152-Y2329 WeakPolarHBondContact O-CD1 3.25Å; F2152-L2330 HydrophobicContact CB-CB 4.18Å; F2152-L2330 HydrophobicContact CB-CG 4.43Å; F2152-L2330 HydrophobicContact CD2-CG 4.33Å; F2152-L2330 PolarHBondContact N-O 2.77Å; F2152-L2330 PolarHBondContact O-N 3.49Å; F2152-V2332 HydrophobicContact CE2-CB 4.31Å; F2152-V2332 HydrophobicContact CE2-CG2 3.97Å
2153R83.6Confident83.8Confident86 Ų8645.1 Ų45.133%0.32522%0.219SC..  trans-68.1144.5178.8-55.2177.8-170.8162.711.1109.7Y2088 M2090 E2101 E2155 Y2329Y2088-R2153 WeakPolarHBondContact CE2-O 3.13Å; Y2088-R2153 PolarHBondContact OH-O 3.2Å; M2090-R2153 HydrophobicContact CE-CB 3.79Å; M2090-R2153 HydrophobicContact CE-CG 4.38Å; M2090-R2153 HydrophobicContact SD-CB 3.98Å; M2090-R2153 HydrophobicContact SD-CG 4.01Å; E2101-R2153 IonicContact OE1-CZ 3.85Å; E2101-R2153 IonicContact OE1-NE 2.68Å; E2101-R2153 PolarHBondContact OE1-NE 2.97Å; E2101-R2153 IonicContact OE1-NH2 3.1Å; E2101-R2153 PolarHBondContact OE1-NH2 2.98Å; E2101-R2153 IonicContact OE2-NH2 2.73Å; R2153-E2155 PolarHBondContact O-N 2.92Å; R2153-Y2329 HydrophobicContact CB-CE1 4.5Å; R2153-Y2329 HydrophobicContact CG-CE1 3.95Å
2154P81.6Confident83.8Confident0 Ų047.1 Ų47.10%022%0.224CC..SBendtrans-66.5-21.7-175.423.4-31.7000114.2I2302 A2303 Y2324 R2327 P2328P2154-I2302 HydrophobicContact CB-CG2 4.34Å; P2154-I2302 CarbonylContact O-C 3.39Å; P2154-I2302 WeakPolarHBondContact O-CA 3.44Å; P2154-I2302 WeakPolarHBondContact O-CG2 3.44Å; P2154-A2303 PolarHBondContact O-N 3.29Å; P2154-Y2324 HydrophobicContact CG-CD1 4.26Å; P2154-R2327 HydrophobicContact CB-CB 3.96Å; P2154-R2327 HydrophobicContact CG-CB 3.65Å; P2154-P2328 WeakPolarHBondContact CB-O 3.39Å
2155E84.7Confident83.7Confident32 Ų3247.8 Ų47.815%0.1524%0.235CC..BIsolated β-bridgetrans-100.4132.4-178.6-68.2167.1-171.300109.6M2090 R2153 M2300 I2302 Y2324 S2325 R2327M2090-E2155 WeakPolarHBondContact CE-O 3.43Å; R2153-E2155 PolarHBondContact O-N 2.92Å; E2155-M2300 HydrophobicContact CB-CE 3.74Å; E2155-M2300 HydrophobicContact CG-CE 3.69Å; E2155-I2302 HydrophobicContact CG-CG1 3.85Å; E2155-Y2324 WeakPolarHBondContact OE2-CE1 3.37Å; E2155-S2325 WeakPolarHBondContact OE1-CB 3.46Å; E2155-S2325 PolarHBondContact OE1-OG 3.08Å; E2155-S2325 VanDerWaalsContact OE1-OG 3.06Å; E2155-R2327 IonicContact OE1-CZ 3.3Å; E2155-R2327 IonicContact OE1-NH1 3.09Å; E2155-R2327 PolarHBondContact OE1-NH1 3.39Å
2156S86.1Confident84Confident15 Ų1545.5 Ų45.511%0.10523%0.228CC..  trans-56.2137.1177.8-175.50000111.8E2089 I2158 W2301E2089-S2156 PolarHBondContact N-OG 3.35Å; E2089-S2156 PolarHBondContact O-OG 2.95Å; S2156-I2158 VanDerWaalsContact C-N 3.27Å; S2156-I2158 PolarHBondContact O-N 3.41Å; S2156-I2158 PolarHBondContact OG-N 3.32Å; S2156-I2158 PolarHBondContact OG-O 2.89Å; S2156-W2301 WeakPolarHBondContact CB-O 3.4Å; S2156-W2301 PolarHBondContact N-O 2.78Å
2157E84.1Confident84Confident111 Ų11146.7 Ų46.752%0.51923%0.232SC..SBendtrans-68.2-31.1177.5-173.9175.5179.800111.5E2089 M2090 E2091E2089-E2157 WeakPolarHBondContact O-CB 3.27Å; E2089-E2157 PolarHBondContact O-N 3.28Å; M2090-E2157 HydrophobicContact CE-CB 3.78Å; M2090-E2157 HydrophobicContact SD-CB 4.38Å; E2091-E2157 PolarHBondContact N-OE2 3.06Å
2158I82.6Confident84Confident79 Ų7950.4 Ų50.441%0.40525%0.252SS..SBendtrans-111.9129.2-177.4-60.5175.2000109.2E2089 S2156E2089-I2158 HydrophobicContact CB-CD1 4.45Å; E2089-I2158 HydrophobicContact CG-CD1 4.19Å; S2156-I2158 VanDerWaalsContact C-N 3.27Å; S2156-I2158 PolarHBondContact O-N 3.41Å; S2156-I2158 PolarHBondContact OG-N 3.32Å; S2156-I2158 PolarHBondContact OG-O 2.89Å
2159Y84.1Confident83.9Confident142 Ų14251.7 Ų51.756%0.55727%0.265SS*.  trans-62.5134.6168.3-69.5-67.9000110.3P2161 M2300Y2159-P2161 WeakPolarHBondContact O-CD 3.18Å; Y2159-M2300 HydrophobicContact CD1-CB 4.15Å; Y2159-M2300 HydrophobicContact CE1-CB 4.33Å
2160W84.5Confident83.8Confident11 Ų1151.7 Ų51.74%0.04227%0.265CS..  trans-59.5106.7-169.1-177.238.1000112.4L2087 I2162 R2167 M2170 L2224 K2299 W2301L2087-W2160 HydrophobicContact CD2-CZ2 3.74Å; W2160-I2162 HydrophobicContact CD2-CB 4.07Å; W2160-I2162 HydrophobicContact CD2-CG2 3.59Å; W2160-I2162 HydrophobicContact CE3-CG2 3.62Å; W2160-I2162 HydrophobicContact CG-CG2 4.32Å; W2160-I2162 HydrophobicContact CH2-CB 4.49Å; W2160-I2162 HydrophobicContact CH2-CD1 3.85Å; W2160-I2162 HydrophobicContact CH2-CG2 3.76Å; W2160-I2162 HydrophobicContact CZ2-CB 4.01Å; W2160-I2162 HydrophobicContact CZ2-CD1 3.29Å; W2160-I2162 HydrophobicContact CZ2-CG1 4.22Å; W2160-I2162 HydrophobicContact CZ2-CG2 3.77Å; W2160-I2162 HydrophobicContact CZ3-CG2 3.71Å; W2160-I2162 PolarHBondContact O-N 3.1Å; W2160-R2167 HydrophobicContact CH2-CG 4.4Å; W2160-M2170 HydrophobicContact CZ2-CE 4.08Å; W2160-M2170 HydrophobicContact CZ2-SD 4.16Å; W2160-L2224 HydrophobicContact CH2-CD2 3.43Å; W2160-L2224 VanDerWaalsContact CH2-CD2 3.43Å; W2160-L2224 HydrophobicContact CZ2-CD2 4.03Å; W2160-L2224 HydrophobicContact CZ3-CD2 4.29Å; W2160-K2299 HydrophobicContact CE3-CB 4.48Å; W2160-K2299 HydrophobicContact CE3-CD 4.31Å; W2160-K2299 PolarHBondContact N-O 3.36Å; W2160-W2301 AromaticContact CD2-NE1 3.29Å; W2160-W2301 VanDerWaalsContact CD2-NE1 3.29Å; W2160-W2301 AromaticContact CE2-NE1 3.8Å; W2160-W2301 HydrophobicContact CE3-CZ2 4.31Å; W2160-W2301 AromaticContact CE3-NE1 3.43Å; W2160-W2301 AromaticContact CG-CD1 3.87Å; W2160-W2301 AromaticContact CG-NE1 3.51Å; W2160-W2301 HydrophobicContact CH2-CZ2 4.25Å; W2160-W2301 HydrophobicContact CZ3-CZ2 4.09Å
2161P80.2Confident83.7Confident83 Ų8352.9 Ų52.954%0.53927%0.271SS..  trans-89.150.5-163.636.1-35.1000111.6P2085 Y2159P2085-P2161 HydrophobicContact CB-CG 4.02Å; Y2159-P2161 WeakPolarHBondContact O-CD 3.18Å
2162I80.8Confident83.7Confident27 Ų2754 Ų5414%0.13828%0.279CS..  trans-92.1129.5-178-158.9165.6000111.3W2160 S2166 R2167 M2170W2160-I2162 HydrophobicContact CD2-CB 4.07Å; W2160-I2162 HydrophobicContact CD2-CG2 3.59Å; W2160-I2162 HydrophobicContact CE3-CG2 3.62Å; W2160-I2162 HydrophobicContact CG-CG2 4.32Å; W2160-I2162 HydrophobicContact CH2-CB 4.49Å; W2160-I2162 HydrophobicContact CH2-CD1 3.85Å; W2160-I2162 HydrophobicContact CH2-CG2 3.76Å; W2160-I2162 HydrophobicContact CZ2-CB 4.01Å; W2160-I2162 HydrophobicContact CZ2-CD1 3.29Å; W2160-I2162 HydrophobicContact CZ2-CG1 4.22Å; W2160-I2162 HydrophobicContact CZ2-CG2 3.77Å; W2160-I2162 HydrophobicContact CZ3-CG2 3.71Å; W2160-I2162 PolarHBondContact O-N 3.1Å; I2162-S2166 WeakPolarHBondContact CG1-OG 3.33Å; I2162-R2167 HydrophobicContact CD1-CB 4Å; I2162-R2167 HydrophobicContact CG1-CB 4.17Å; I2162-R2167 HydrophobicContact CG2-CB 4.21Å; I2162-M2170 HydrophobicContact CD1-CE 3.89Å
2163S83.5Confident83.5Confident65 Ų6557 Ų5746%0.45529%0.292SS..  trans-68.9149.3167.477.40000110.1D2165 S2166 R2167S2163-D2165 PolarHBondContact O-N 2.99Å; S2163-S2166 WeakPolarHBondContact CA-OG 3.33Å; S2163-S2166 PolarHBondContact N-OG 3.46Å; S2163-S2166 PolarHBondContact O-N 3.37Å; S2163-S2166 VanDerWaalsContact O-N 3.11Å; S2163-S2166 PolarHBondContact O-OG 3.47Å; S2163-S2166 WeakPolarHBondContact OG-CB 3.33Å; S2163-S2166 PolarHBondContact OG-N 3.11Å; S2163-S2166 VanDerWaalsContact OG-N 3.09Å; S2163-S2166 PolarHBondContact OG-OG 3.37Å; S2163-R2167 WeakPolarHBondContact O-CB 3.5Å; S2163-R2167 PolarHBondContact O-N 3.41Å
2164Q81.2Confident83.1Confident97 Ų9753 Ų5345%0.45328%0.278SS..Hα-helixtrans-59-31.9178.9-176.465.913.300111.6R2167 N2168Q2164-R2167 PolarHBondContact O-N 3.35Å; Q2164-N2168 PolarHBondContact NE2-OD1 2.96Å; Q2164-N2168 WeakPolarHBondContact O-CB 3.29Å; Q2164-N2168 PolarHBondContact O-N 2.8Å; Q2164-N2168 PolarHBondContact O-ND2 3.13Å; Q2164-N2168 PolarHBondContact O-OD1 3.29Å
2165D83.8Confident83Confident124 Ų12456.6 Ų56.666%0.66330%0.303SS*.Hα-helixtrans-68.9-45.5174.3-61.9-42000112.3S2163 R2167 N2168 A2169S2163-D2165 PolarHBondContact O-N 2.99Å; D2165-R2167 VanDerWaalsContact C-N 3.26Å; D2165-R2167 PolarHBondContact O-N 3.39Å; D2165-N2168 PolarHBondContact O-N 3.03Å; D2165-A2169 WeakPolarHBondContact O-CB 3.3Å; D2165-A2169 PolarHBondContact O-N 3.27Å
2166S84.5Confident82.5Confident27 Ų2762 Ų6219%0.18932%0.322CS..Hα-helixtrans-64.7-29.8173.447.80000113Y2084 I2162 S2163 M2170Y2084-S2166 WeakPolarHBondContact CE1-O 3.3Å; I2162-S2166 WeakPolarHBondContact CG1-OG 3.33Å; S2163-S2166 WeakPolarHBondContact CA-OG 3.33Å; S2163-S2166 PolarHBondContact N-OG 3.46Å; S2163-S2166 PolarHBondContact O-N 3.37Å; S2163-S2166 VanDerWaalsContact O-N 3.11Å; S2163-S2166 PolarHBondContact O-OG 3.47Å; S2163-S2166 WeakPolarHBondContact OG-CB 3.33Å; S2163-S2166 PolarHBondContact OG-N 3.11Å; S2163-S2166 VanDerWaalsContact OG-N 3.09Å; S2163-S2166 PolarHBondContact OG-OG 3.37Å; S2166-M2170 WeakPolarHBondContact O-CB 3.45Å; S2166-M2170 PolarHBondContact O-N 3.04Å
2167R82.9Confident81.9Confident28 Ų2868.1 Ų68.111%0.10635%0.353CS..Hα-helixtrans-69.8-44.2172.9-177.9-172.8177.4-151.62.6111.2W2160 I2162 S2163 Q2164 D2165 M2170 I2171 L2224 R2225W2160-R2167 HydrophobicContact CH2-CG 4.4Å; I2162-R2167 HydrophobicContact CD1-CB 4Å; I2162-R2167 HydrophobicContact CG1-CB 4.17Å; I2162-R2167 HydrophobicContact CG2-CB 4.21Å; S2163-R2167 WeakPolarHBondContact O-CB 3.5Å; S2163-R2167 PolarHBondContact O-N 3.41Å; Q2164-R2167 PolarHBondContact O-N 3.35Å; D2165-R2167 VanDerWaalsContact C-N 3.26Å; D2165-R2167 PolarHBondContact O-N 3.39Å; R2167-M2170 PolarHBondContact O-N 3.47Å; R2167-I2171 HydrophobicContact CG-CD1 4.3Å; R2167-I2171 WeakPolarHBondContact O-CG1 3.49Å; R2167-I2171 PolarHBondContact O-N 3.49Å; R2167-L2224 VanDerWaalsContact CZ-O 3.25Å; R2167-L2224 PolarHBondContact NE-O 2.97Å; R2167-L2224 PolarHBondContact NH2-O 2.94Å; R2167-R2225 PolarHBondContact NH2-O 3.47Å
2168N87.3Confident81.2Confident78 Ų7865.8 Ų65.842%0.41735%0.346SS..Hα-helixtrans-62.1-42.9173.2-68.6-20.1000111.1Q2164 D2165 M2170 I2171 D2172Q2164-N2168 PolarHBondContact NE2-OD1 2.96Å; Q2164-N2168 WeakPolarHBondContact O-CB 3.29Å; Q2164-N2168 PolarHBondContact O-N 2.8Å; Q2164-N2168 PolarHBondContact O-ND2 3.13Å; Q2164-N2168 PolarHBondContact O-OD1 3.29Å; D2165-N2168 PolarHBondContact O-N 3.03Å; N2168-M2170 PolarHBondContact O-N 2.97Å; N2168-I2171 PolarHBondContact O-N 3.07Å; N2168-D2172 WeakPolarHBondContact O-CB 3.44Å; N2168-D2172 PolarHBondContact O-N 3.4Å
2169A84.1Confident80.6Confident42 Ų4266.4 Ų66.435%0.34736%0.358SS..Hα-helixtrans-65.5-34.7175.500000112.8Y2084 D2165 D2172 K2173Y2084-A2169 VanDerWaalsContact OH-C 3.23Å; Y2084-A2169 PolarHBondContact OH-O 3.4Å; D2165-A2169 WeakPolarHBondContact O-CB 3.3Å; D2165-A2169 PolarHBondContact O-N 3.27Å; A2169-D2172 PolarHBondContact O-N 3.01Å; A2169-K2173 VanDerWaalsContact O-CB 3.25Å; A2169-K2173 WeakPolarHBondContact O-CB 3.36Å; A2169-K2173 PolarHBondContact O-N 3.15Å
2170M84.6Confident80.2Confident0 Ų059.7 Ų59.70%033%0.332CS..Hα-helixtrans-64.8-47.2172.2-176.6-173.6-76.800111.1I2081 Y2084 W2160 I2162 S2166 R2167 N2168 D2172 K2173 L2174 L2224I2081-M2170 HydrophobicContact CB-CE 4.13Å; I2081-M2170 HydrophobicContact CD1-CE 4Å; I2081-M2170 HydrophobicContact CD1-SD 3.73Å; Y2084-M2170 HydrophobicContact CD1-CB 4.27Å; Y2084-M2170 HydrophobicContact CD1-CE 3.88Å; Y2084-M2170 HydrophobicContact CD2-CB 4.42Å; Y2084-M2170 HydrophobicContact CD2-CE 3.58Å; Y2084-M2170 HydrophobicContact CD2-CG 4.23Å; Y2084-M2170 HydrophobicContact CE1-CB 3.88Å; Y2084-M2170 HydrophobicContact CE2-CB 4.01Å; Y2084-M2170 HydrophobicContact CE2-CE 4.32Å; Y2084-M2170 HydrophobicContact CE2-CG 4.05Å; Y2084-M2170 HydrophobicContact CG-CE 3.32Å; Y2084-M2170 WeakPolarHBondContact OH-CA 3.3Å; Y2084-M2170 PolarHBondContact OH-N 3.03Å; W2160-M2170 HydrophobicContact CZ2-CE 4.08Å; W2160-M2170 HydrophobicContact CZ2-SD 4.16Å; I2162-M2170 HydrophobicContact CD1-CE 3.89Å; S2166-M2170 WeakPolarHBondContact O-CB 3.45Å; S2166-M2170 PolarHBondContact O-N 3.04Å; R2167-M2170 PolarHBondContact O-N 3.47Å; N2168-M2170 PolarHBondContact O-N 2.97Å; M2170-D2172 VanDerWaalsContact C-N 3.31Å; M2170-D2172 PolarHBondContact O-N 2.95Å; M2170-K2173 PolarHBondContact O-N 2.8Å; M2170-L2174 HydrophobicContact CG-CD1 4.04Å; M2170-L2174 WeakPolarHBondContact O-CB 3.38Å; M2170-L2174 WeakPolarHBondContact O-CD1 3.44Å; M2170-L2174 VanDerWaalsContact O-CG 3.28Å; M2170-L2174 WeakPolarHBondContact O-CG 3.43Å; M2170-L2174 PolarHBondContact O-N 2.84Å; M2170-L2224 HydrophobicContact CG-CD1 3.98Å; M2170-L2224 HydrophobicContact SD-CD1 3.67Å; M2170-L2224 HydrophobicContact SD-CD2 3.5Å; M2170-L2224 VanDerWaalsContact SD-CD2 3.5Å; M2170-L2224 HydrophobicContact SD-CG 4.27Å
2171I83.6Confident80.1Confident25 Ų2560.7 Ų60.713%0.12834%0.338CS..Hα-helixtrans-60.9-41.3176.3-68.2165.1000110.6R2167 N2168 L2174 S2175 L2224 R2225R2167-I2171 HydrophobicContact CG-CD1 4.3Å; R2167-I2171 WeakPolarHBondContact O-CG1 3.49Å; R2167-I2171 PolarHBondContact O-N 3.49Å; N2168-I2171 PolarHBondContact O-N 3.07Å; I2171-L2174 PolarHBondContact O-N 2.91Å; I2171-S2175 WeakPolarHBondContact O-CB 3.43Å; I2171-S2175 PolarHBondContact O-N 2.99Å; I2171-L2224 HydrophobicContact CD1-CB 4.2Å; I2171-L2224 HydrophobicContact CG1-CB 3.96Å; I2171-L2224 HydrophobicContact CG1-CD1 4.2Å; I2171-R2225 HydrophobicContact CD1-CG 4.31Å
2172D84.5Confident80.3Confident61 Ų6156.9 Ų56.933%0.32631%0.313SS..Hα-helixtrans-63.9-51.9174.4-177.317.9000112.1N2168 A2169 M2170 L2174 S2175 R2176N2168-D2172 WeakPolarHBondContact O-CB 3.44Å; N2168-D2172 PolarHBondContact O-N 3.4Å; A2169-D2172 PolarHBondContact O-N 3.01Å; M2170-D2172 VanDerWaalsContact C-N 3.31Å; M2170-D2172 PolarHBondContact O-N 2.95Å; D2172-L2174 PolarHBondContact O-N 3.39Å; D2172-S2175 WeakPolarHBondContact O-CA 3.48Å; D2172-S2175 WeakPolarHBondContact O-CB 3.49Å; D2172-S2175 PolarHBondContact O-N 3.18Å; D2172-S2175 PolarHBondContact O-OG 3.17Å; D2172-R2176 VanDerWaalsContact CG-NE 3.31Å; D2172-R2176 WeakPolarHBondContact O-CG 3.24Å; D2172-R2176 PolarHBondContact O-N 3.19Å; D2172-R2176 IonicContact OD1-CZ 2.76Å; D2172-R2176 IonicContact OD1-NE 2.69Å; D2172-R2176 PolarHBondContact OD1-NE 3.28Å; D2172-R2176 IonicContact OD1-NH2 2.68Å; D2172-R2176 PolarHBondContact OD1-NH2 3.16Å; D2172-R2176 IonicContact OD2-CZ 3.77Å; D2172-R2176 IonicContact OD2-NE 2.98Å; D2172-R2176 PolarHBondContact OD2-NE 2.98Å; D2172-R2176 IonicContact OD2-NH2 3.72Å; D2172-R2176 PolarHBondContact OD2-NH2 3.37Å
2173K80.2Confident80.7Confident64 Ų6458.2 Ų58.228%0.27832%0.318SS..Hα-helixtrans-59.5-28.5177.7-165.9-171.3-179.5-175.60112.7E2082 Y2084 A2169 M2170 T2178 V2180E2082-K2173 PolarHBondContact O-NZ 2.74Å; Y2084-K2173 HydrophobicContact CE2-CD 3.86Å; A2169-K2173 VanDerWaalsContact O-CB 3.25Å; A2169-K2173 WeakPolarHBondContact O-CB 3.36Å; A2169-K2173 PolarHBondContact O-N 3.15Å; M2170-K2173 PolarHBondContact O-N 2.8Å; K2173-T2178 PolarHBondContact O-OG1 3.37Å; K2173-T2178 VanDerWaalsContact O-OG1 3.05Å; K2173-V2180 HydrophobicContact CD-CG2 4.14Å; K2173-V2180 HydrophobicContact CG-CG2 3.92Å
2174L76.5Confident80.9Confident3 Ų355.1 Ų55.12%0.01630%0.297CS..Hα-helixtrans-80.8-27.7172.4-72.9167.2000113.7M2170 I2171 D2172 V2180 I2210 R2217 I2220 Q2221 L2224M2170-L2174 HydrophobicContact CG-CD1 4.04Å; M2170-L2174 WeakPolarHBondContact O-CB 3.38Å; M2170-L2174 WeakPolarHBondContact O-CD1 3.44Å; M2170-L2174 VanDerWaalsContact O-CG 3.28Å; M2170-L2174 WeakPolarHBondContact O-CG 3.43Å; M2170-L2174 PolarHBondContact O-N 2.84Å; I2171-L2174 PolarHBondContact O-N 2.91Å; D2172-L2174 PolarHBondContact O-N 3.39Å; L2174-V2180 HydrophobicContact CD2-CB 4.45Å; L2174-V2180 HydrophobicContact CD2-CG2 4.46Å; L2174-I2210 HydrophobicContact CD2-CD1 4.29Å; L2174-R2217 PolarHBondContact O-NH1 2.97Å; L2174-I2220 HydrophobicContact CD1-CG2 3.6Å; L2174-Q2221 HydrophobicContact CB-CG 4.4Å; L2174-Q2221 PolarHBondContact O-NE2 2.82Å; L2174-L2224 HydrophobicContact CD1-CD1 3.35Å
2175S79.5Confident81.2Confident75 Ų7551.9 Ų51.952%0.52429%0.285SS..Hα-helixtrans-75.8-31.9174.584.50000112.4I2171 D2172I2171-S2175 WeakPolarHBondContact O-CB 3.43Å; I2171-S2175 PolarHBondContact O-N 2.99Å; D2172-S2175 WeakPolarHBondContact O-CA 3.48Å; D2172-S2175 WeakPolarHBondContact O-CB 3.49Å; D2172-S2175 PolarHBondContact O-N 3.18Å; D2172-S2175 PolarHBondContact O-OG 3.17Å
2176R74.5Confident81.6Confident145 Ų14546 Ų4655%0.54725%0.253SS..SBendtrans-73.2151.5174.9-66.3177.4-167.4-141.37.1110.7D2172 T2178 R2217D2172-R2176 VanDerWaalsContact CG-NE 3.31Å; D2172-R2176 WeakPolarHBondContact O-CG 3.24Å; D2172-R2176 PolarHBondContact O-N 3.19Å; D2172-R2176 IonicContact OD1-CZ 2.76Å; D2172-R2176 IonicContact OD1-NE 2.69Å; D2172-R2176 PolarHBondContact OD1-NE 3.28Å; D2172-R2176 IonicContact OD1-NH2 2.68Å; D2172-R2176 PolarHBondContact OD1-NH2 3.16Å; D2172-R2176 IonicContact OD2-CZ 3.77Å; D2172-R2176 IonicContact OD2-NE 2.98Å; D2172-R2176 PolarHBondContact OD2-NE 2.98Å; D2172-R2176 IonicContact OD2-NH2 3.72Å; D2172-R2176 PolarHBondContact OD2-NH2 3.37Å; R2176-T2178 PolarHBondContact O-N 3.32Å; R2176-R2217 PolarHBondContact O-NH1 2.63Å
2177N72.3Confident81.8Confident143 Ų14346.1 Ų46.177%0.76525%0.251SS*.SBendtrans-75.130.6-178.9-155.130.5000113.7
2178T69.7Low82.1Confident62 Ų6244.9 Ų44.938%0.3825%0.246SC..  trans-86.6142.3176.334.30000110.9K2173 R2176 R2217K2173-T2178 PolarHBondContact O-OG1 3.37Å; K2173-T2178 VanDerWaalsContact O-OG1 3.05Å; R2176-T2178 PolarHBondContact O-N 3.32Å; T2178-R2217 PolarHBondContact O-NH1 3.34Å; T2178-R2217 PolarHBondContact O-NH2 2.69Å
2179S71Confident82Confident92 Ų9241.7 Ų41.764%0.64323%0.23SC*.  trans-62.2134.4161.845.50000109.3
2180V74.9Confident81.6Confident1 Ų140 Ų401%0.00622%0.215CC..  trans-132120.8172.8-1790000105.5I2081 K2173 L2174 I2210I2081-V2180 HydrophobicContact CG2-CG1 3.42Å; I2081-V2180 VanDerWaalsContact CG2-CG1 3.42Å; K2173-V2180 HydrophobicContact CD-CG2 4.14Å; K2173-V2180 HydrophobicContact CG-CG2 3.92Å; L2174-V2180 HydrophobicContact CD2-CB 4.45Å; L2174-V2180 HydrophobicContact CD2-CG2 4.46Å; V2180-I2210 HydrophobicContact CB-CD1 4.42Å; V2180-I2210 HydrophobicContact CG1-CD1 4.22Å; V2180-I2210 VanDerWaalsContact O-CB 3.28Å; V2180-I2210 WeakPolarHBondContact O-CB 3.31Å; V2180-I2210 WeakPolarHBondContact O-CG1 3.34Å; V2180-I2210 PolarHBondContact O-N 3.23Å
2181N83Confident80.9Confident33 Ų3343.2 Ų43.218%0.17624%0.235CC..EExtended strand (participates in β ladder)trans-85.9147.5176.5-58.8-65.1000110.6E2082 L2207 P2209E2082-N2181 HydrophobicContact CB-CB 4.19Å; E2082-N2181 VanDerWaalsContact CB-O 3.3Å; E2082-N2181 WeakPolarHBondContact CB-O 3.46Å; E2082-N2181 PolarHBondContact N-O 3.38Å; E2082-N2181 VanDerWaalsContact OE2-CB 3.31Å; E2082-N2181 WeakPolarHBondContact OE2-CB 3.35Å; E2082-N2181 PolarHBondContact OE2-N 3.37Å; E2082-N2181 VanDerWaalsContact OE2-N 3.1Å; E2082-N2181 PolarHBondContact OE2-ND2 2.63Å; N2181-L2207 HydrophobicContact CB-CB 4.4Å; N2181-L2207 HydrophobicContact CB-CD2 4.23Å; N2181-P2209 WeakPolarHBondContact OD1-CA 3.36Å
2182F84.3Confident79.8Confident2 Ų250.4 Ų50.41%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-97126.4165.4-173.2-101.3000107.4I2079 S2080 I2081 L2087 V2184 V2208 I2210 I2234 L2286 L2288I2079-F2182 HydrophobicContact CG2-CE1 3.64Å; I2079-F2182 HydrophobicContact CG2-CE2 3.92Å; I2079-F2182 HydrophobicContact CG2-CZ 3.13Å; S2080-F2182 WeakPolarHBondContact O-CD2 3.4Å; I2081-F2182 HydrophobicContact CG1-CD2 4.05Å; L2087-F2182 HydrophobicContact CD1-CE2 3.92Å; F2182-V2184 HydrophobicContact CD1-CG2 3.99Å; F2182-V2184 HydrophobicContact CE1-CG2 3.7Å; F2182-V2208 HydrophobicContact CB-CB 4.42Å; F2182-V2208 PolarHBondContact N-O 3.01Å; F2182-V2208 PolarHBondContact O-N 3Å; F2182-I2210 HydrophobicContact CB-CD1 4.35Å; F2182-I2210 HydrophobicContact CB-CG1 4.09Å; F2182-I2234 HydrophobicContact CD1-CD1 3.82Å; F2182-I2234 HydrophobicContact CD1-CG2 4.03Å; F2182-I2234 HydrophobicContact CD2-CD1 3.46Å; F2182-I2234 VanDerWaalsContact CD2-CD1 3.46Å; F2182-I2234 HydrophobicContact CE1-CD1 3.62Å; F2182-I2234 HydrophobicContact CE1-CG2 4.24Å; F2182-I2234 HydrophobicContact CE2-CD1 3.24Å; F2182-I2234 HydrophobicContact CG-CD1 3.72Å; F2182-I2234 HydrophobicContact CZ-CD1 3.3Å; F2182-L2286 HydrophobicContact CE1-CD2 4.02Å; F2182-L2286 HydrophobicContact CZ-CD2 3.83Å; F2182-L2288 HydrophobicContact CE2-CD1 3.95Å; F2182-L2288 HydrophobicContact CZ-CD1 3.76Å
2183E88Confident78.5Confident55 Ų5551 Ų5126%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-110.7114.2-175.4178.7169.9-150.400110S2080 S2205 L2207S2080-E2183 PolarHBondContact N-O 3.48Å; S2080-E2183 PolarHBondContact O-N 2.97Å; E2183-S2205 WeakPolarHBondContact OE1-CB 3.36Å; E2183-S2205 PolarHBondContact OE1-OG 3.05Å; E2183-L2207 HydrophobicContact CB-CD2 3.92Å; E2183-L2207 HydrophobicContact CG-CD2 4.07Å
2184V88.3Confident77.3Confident1 Ų151.8 Ų51.81%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-98.7118.3165.7-1800000106.9L2077 F2182 S2205 W2206 S2237 I2238L2077-V2184 HydrophobicContact CD1-CG1 3.91Å; F2182-V2184 HydrophobicContact CD1-CG2 3.99Å; F2182-V2184 HydrophobicContact CE1-CG2 3.7Å; V2184-S2205 CarbonylContact O-C 3.55Å; V2184-S2205 WeakPolarHBondContact O-CA 3.47Å; V2184-W2206 HydrophobicContact CB-CE3 4.44Å; V2184-W2206 HydrophobicContact CG1-CE3 4.18Å; V2184-W2206 PolarHBondContact N-O 3.12Å; V2184-W2206 VanDerWaalsContact N-O 3.12Å; V2184-W2206 PolarHBondContact O-N 2.9Å; V2184-S2237 WeakPolarHBondContact CG2-O 3.5Å; V2184-I2238 HydrophobicContact CG1-CB 4.44Å; V2184-I2238 HydrophobicContact CG1-CG1 4.36Å
2185S88.6Confident76.2Confident28 Ų2856.9 Ų56.920%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-122.9134.9177.564.20000111.2R2078 K2204R2078-S2185 WeakPolarHBondContact CB-OG 3.29Å; R2078-S2185 PolarHBondContact N-O 3.26Å; R2078-S2185 PolarHBondContact O-N 3.06Å; S2185-K2204 WeakPolarHBondContact CA-O 3.41Å
2186L90.5Very high74.9Confident1 Ų155.3 Ų55.31%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-127130.7-178.8-176.669.6000108.9V2075 L2077 F2152 F2188 S2203 K2204 W2206 I2242 L2250 V2332V2075-L2186 HydrophobicContact CG1-CD1 3.74Å; V2075-L2186 HydrophobicContact CG1-CG 4.44Å; L2077-L2186 HydrophobicContact CB-CD1 4.09Å; L2077-L2186 HydrophobicContact CD1-CD1 4.24Å; F2152-L2186 HydrophobicContact CE2-CD1 4.34Å; F2152-L2186 HydrophobicContact CZ-CD1 3.69Å; L2186-F2188 HydrophobicContact CD2-CD2 4.38Å; L2186-F2188 HydrophobicContact CD2-CE2 3.63Å; L2186-F2188 HydrophobicContact CD2-CZ 4.41Å; L2186-F2188 HydrophobicContact CG-CD2 4.34Å; L2186-F2188 HydrophobicContact CG-CE2 4.03Å; L2186-S2203 CarbonylContact O-C 3.57Å; L2186-S2203 WeakPolarHBondContact O-CA 3.49Å; L2186-K2204 PolarHBondContact N-O 3.32Å; L2186-K2204 PolarHBondContact O-N 2.73Å; L2186-W2206 HydrophobicContact CB-CH2 4.08Å; L2186-W2206 HydrophobicContact CB-CZ3 3.74Å; L2186-W2206 HydrophobicContact CD2-CH2 4.28Å; L2186-I2242 HydrophobicContact CD2-CD1 3.23Å; L2186-L2250 HydrophobicContact CB-CD1 4.35Å; L2186-L2250 HydrophobicContact CD2-CD1 4.23Å; L2186-L2250 HydrophobicContact CG-CD1 4.26Å; L2186-L2250 WeakPolarHBondContact O-CD1 3.29Å; L2186-V2332 HydrophobicContact CD2-CG1 4.47Å
2187E90.1Very high74.1Confident30 Ų3053.9 Ų53.914%0.1429%0.292CS..EExtended strand (participates in β ladder)trans-130.2116.5-178.8177.9-174.2161.900109.5V2075 T2076 R2078 T2189 K2201V2075-E2187 WeakPolarHBondContact CA-O 3.4Å; T2076-E2187 PolarHBondContact N-O 3.39Å; T2076-E2187 PolarHBondContact O-N 3.23Å; R2078-E2187 IonicContact NH1-OE2 2.74Å; E2187-T2189 HydrophobicContact CG-CG2 4.32Å; E2187-K2201 HydrophobicContact CG-CB 4.45Å; E2187-K2201 VanDerWaalsContact OE1-CD 3.23Å; E2187-K2201 WeakPolarHBondContact OE1-CD 3.41Å; E2187-K2201 WeakPolarHBondContact OE1-CE 3.34Å; E2187-K2201 VanDerWaalsContact OE1-CG 3.31Å; E2187-K2201 WeakPolarHBondContact OE1-CG 3.45Å; E2187-K2201 IonicContact OE1-NZ 3.82Å; E2187-K2201 PolarHBondContact OE1-NZ 2.82Å
2188F88.5Confident73.3Confident1 Ų149.1 Ų49.10%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-91129167.1-72.3-104.5000108.6P2072 V2075 V2150 L2186 H2202 V2244 L2250P2072-F2188 HydrophobicContact CB-CD1 4.14Å; P2072-F2188 HydrophobicContact CG-CD1 4.07Å; V2075-F2188 HydrophobicContact CB-CD1 4.38Å; V2075-F2188 HydrophobicContact CG1-CD1 3.98Å; V2075-F2188 HydrophobicContact CG1-CD2 4.12Å; V2075-F2188 HydrophobicContact CG1-CE1 4Å; V2075-F2188 HydrophobicContact CG1-CE2 4.16Å; V2075-F2188 HydrophobicContact CG1-CG 4.04Å; V2075-F2188 HydrophobicContact CG1-CZ 4.1Å; V2075-F2188 HydrophobicContact CG2-CD1 3.47Å; V2075-F2188 VanDerWaalsContact CG2-CD1 3.47Å; V2075-F2188 HydrophobicContact CG2-CE1 3.72Å; V2075-F2188 HydrophobicContact CG2-CG 4.17Å; V2150-F2188 HydrophobicContact CG2-CE1 4.12Å; V2150-F2188 HydrophobicContact CG2-CZ 4.42Å; L2186-F2188 HydrophobicContact CD2-CD2 4.38Å; L2186-F2188 HydrophobicContact CD2-CE2 3.63Å; L2186-F2188 HydrophobicContact CD2-CZ 4.41Å; L2186-F2188 HydrophobicContact CG-CD2 4.34Å; L2186-F2188 HydrophobicContact CG-CE2 4.03Å; F2188-H2202 HydrophobicContact CB-CB 4.43Å; F2188-H2202 PolarHBondContact N-O 2.83Å; F2188-H2202 PolarHBondContact O-N 2.94Å; F2188-V2244 HydrophobicContact CB-CG1 4.34Å; F2188-V2244 HydrophobicContact CD1-CG2 4.01Å; F2188-V2244 HydrophobicContact CD2-CG2 4.17Å; F2188-V2244 HydrophobicContact CE1-CG2 3.99Å; F2188-V2244 HydrophobicContact CE2-CG2 4.13Å; F2188-V2244 HydrophobicContact CG-CG1 4.47Å; F2188-V2244 HydrophobicContact CG-CG2 4.1Å; F2188-V2244 HydrophobicContact CZ-CG2 4.05Å; F2188-L2250 HydrophobicContact CD2-CD1 3.74Å; F2188-L2250 HydrophobicContact CD2-CD2 3.54Å; F2188-L2250 HydrophobicContact CD2-CG 4.29Å; F2188-L2250 HydrophobicContact CE2-CD1 4.02Å; F2188-L2250 HydrophobicContact CE2-CD2 4.07Å; F2188-L2250 HydrophobicContact CG-CD2 4.3Å
2189T84.6Confident72.8Confident12 Ų1247.7 Ų47.77%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-105.4131172.165.90000109.7P2072 E2073 K2074 E2187 L2200 K2201P2072-T2189 CarbonylContact C-O 3.58Å; P2072-T2189 WeakPolarHBondContact CA-O 3.44Å; P2072-T2189 WeakPolarHBondContact CB-O 3.49Å; E2073-T2189 PolarHBondContact N-O 3.47Å; K2074-T2189 HydrophobicContact CG-CG2 4.37Å; K2074-T2189 WeakPolarHBondContact CG-OG1 3.43Å; K2074-T2189 PolarHBondContact N-OG1 2.9Å; K2074-T2189 PolarHBondContact O-N 2.98Å; K2074-T2189 PolarHBondContact O-OG1 3.41Å; E2187-T2189 HydrophobicContact CG-CG2 4.32Å; T2189-L2200 WeakPolarHBondContact CA-O 3.36Å; T2189-K2201 HydrophobicContact CG2-CG 4.32Å
2190R75.8Confident72.7Confident7 Ų747.3 Ų47.33%0.02626%0.257CS..  trans-98.1146.7171.8-62.7-163-160.2-137.84.3109.3S2070 L2200 H2202 V2244 P2245 D2337S2070-R2190 PolarHBondContact OG-NH1 3.04Å; R2190-L2200 PolarHBondContact N-O 2.89Å; R2190-L2200 WeakPolarHBondContact O-CD1 3.42Å; R2190-H2202 PolarHBondContact NE-NE2 3.13Å; R2190-V2244 PolarHBondContact NH2-O 3.48Å; R2190-P2245 PolarHBondContact NH2-O 3.03Å; R2190-D2337 PolarHBondContact NH1-O 2.92Å
2191P69.9Low72.7Confident66 Ų6652.8 Ų52.843%0.42928%0.281SS..  trans-59143.3175.825.4-35000110.9M2071 D2193M2071-P2191 WeakPolarHBondContact O-CD 3.17Å; P2191-D2193 PolarHBondContact O-N 3.18Å; P2191-D2193 VanDerWaalsContact O-N 3.1Å
2192Y60.9Low72.8Confident176 Ų17651.3 Ų51.369%0.6927%0.273SS*.  trans-78.893.4-175.6-179.4-109.7000112.2P2194 L2200Y2192-P2194 HydrophobicContact CE1-CB 3.87Å; Y2192-P2194 HydrophobicContact CE1-CG 4.36Å; Y2192-P2194 WeakPolarHBondContact O-CD 3.29Å; Y2192-L2200 HydrophobicContact CD2-CD1 4.11Å; Y2192-L2200 HydrophobicContact CG-CD1 4.41Å
2193D57.5Low72.9Confident73 Ų7354.1 Ų54.139%0.3929%0.293SS..  trans-87.9111.9159.5-167.6-27.6000110P2191 N2195 E2196P2191-D2193 PolarHBondContact O-N 3.18Å; P2191-D2193 VanDerWaalsContact O-N 3.1Å; D2193-N2195 PolarHBondContact O-N 3.29Å; D2193-N2195 VanDerWaalsContact O-N 3.09Å; D2193-N2195 WeakPolarHBondContact OD1-CB 3.4Å; D2193-N2195 PolarHBondContact OD1-N 3.25Å; D2193-N2195 PolarHBondContact OD1-ND2 2.84Å; D2193-E2196 HydrophobicContact CB-CB 4.48Å; D2193-E2196 HydrophobicContact CB-CG 4.16Å; D2193-E2196 PolarHBondContact O-N 2.94Å
2194P55.7Low72.9Confident81 Ų8154.9 Ų54.953%0.52630%0.295SS..THydrogen-bonded Turntrans-63.3-13.3177.827-35.3000113.8Y2192Y2192-P2194 HydrophobicContact CE1-CB 3.87Å; Y2192-P2194 HydrophobicContact CE1-CG 4.36Å; Y2192-P2194 WeakPolarHBondContact O-CD 3.29Å
2195N52Low72.8Confident110 Ų11057.5 Ų57.559%0.58831%0.313SS*.THydrogen-bonded Turntrans-87.5-27.8-178.3-55-76.7000113.3D2193 N2197 S2342D2193-N2195 PolarHBondContact O-N 3.29Å; D2193-N2195 VanDerWaalsContact O-N 3.09Å; D2193-N2195 WeakPolarHBondContact OD1-CB 3.4Å; D2193-N2195 PolarHBondContact OD1-N 3.25Å; D2193-N2195 PolarHBondContact OD1-ND2 2.84Å; N2195-N2197 PolarHBondContact O-ND2 3.09Å; N2195-S2342 WeakPolarHBondContact O-CB 3.44Å; N2195-S2342 PolarHBondContact O-OG 2.8Å
2196E54Low72.7Confident42 Ų4257.3 Ų57.320%0.19631%0.309CS..THydrogen-bonded Turntrans-85-26.7-167.5-69.4-154140.300114.9T2068 D2193 A2198T2068-E2196 PolarHBondContact OG1-OE1 3.06Å; D2193-E2196 HydrophobicContact CB-CB 4.48Å; D2193-E2196 HydrophobicContact CB-CG 4.16Å; D2193-E2196 PolarHBondContact O-N 2.94Å; E2196-A2198 PolarHBondContact O-N 3.14Å
2197N55.7Low72.5Confident115 Ų11560.9 Ų60.962%0.61533%0.327SS*.  trans57.132.9-171.8-59.5-100.3000113.6N2195 Q2247N2195-N2197 PolarHBondContact O-ND2 3.09Å; N2197-Q2247 PolarHBondContact O-NE2 3.09Å
2198A56.9Low71.9Confident44 Ų4460.5 Ų60.536%0.36433%0.327SS..  trans-70.5161.416600000111E2196 L2200E2196-A2198 PolarHBondContact O-N 3.14Å; A2198-L2200 PolarHBondContact O-N 3.32Å
2199A59.7Low71.4Confident32 Ų3264.1 Ų64.126%0.26435%0.35SS..  trans-77.3120.9169.300000109.4K2201 H2202A2199-K2201 PolarHBondContact O-N 3.5Å; A2199-H2202 PolarHBondContact O-NE2 3.25Å
2200L68Low70.8Confident83 Ų8364.4 Ų64.444%0.43535%0.351SS..SBendtrans-57.8-34.1179.2-175.474.3000112.5T2189 R2190 Y2192 A2198T2189-L2200 WeakPolarHBondContact CA-O 3.36Å; R2190-L2200 PolarHBondContact N-O 2.89Å; R2190-L2200 WeakPolarHBondContact O-CD1 3.42Å; Y2192-L2200 HydrophobicContact CD2-CD1 4.11Å; Y2192-L2200 HydrophobicContact CG-CD1 4.41Å; A2198-L2200 PolarHBondContact O-N 3.32Å
2201K74.9Confident70.5Confident117 Ų11766.6 Ų66.651%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-129.7124.1-174.9-63.8172.9168.7-73.50109E2187 T2189 A2199E2187-K2201 HydrophobicContact CG-CB 4.45Å; E2187-K2201 VanDerWaalsContact OE1-CD 3.23Å; E2187-K2201 WeakPolarHBondContact OE1-CD 3.41Å; E2187-K2201 WeakPolarHBondContact OE1-CE 3.34Å; E2187-K2201 VanDerWaalsContact OE1-CG 3.31Å; E2187-K2201 WeakPolarHBondContact OE1-CG 3.45Å; E2187-K2201 IonicContact OE1-NZ 3.82Å; E2187-K2201 PolarHBondContact OE1-NZ 2.82Å; T2189-K2201 HydrophobicContact CG2-CG 4.32Å; A2199-K2201 PolarHBondContact O-N 3.5Å
2202H84.8Confident70.2Confident1 Ų169 Ų691%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-111.297.7170.5-60.3-85000108.4F2188 R2190 A2199 V2244 P2245 G2248 L2250F2188-H2202 HydrophobicContact CB-CB 4.43Å; F2188-H2202 PolarHBondContact N-O 2.83Å; F2188-H2202 PolarHBondContact O-N 2.94Å; R2190-H2202 PolarHBondContact NE-NE2 3.13Å; A2199-H2202 PolarHBondContact O-NE2 3.25Å; H2202-V2244 HydrophobicContact CB-CG1 4.19Å; H2202-P2245 PolarHBondContact CE1-O 3.46Å; H2202-P2245 PolarHBondContact ND1-O 2.96Å; H2202-P2245 PolarHBondContact NE2-O 3.05Å; H2202-G2248 PolarHBondContact ND1-O 3.03Å; H2202-L2250 HydrophobicContact CB-CD2 3.65Å; H2202-L2250 HydrophobicContact CB-CG 4.3Å; H2202-L2250 WeakPolarHBondContact O-CG 3.42Å
2203S86.5Confident70.4Confident62 Ų6264.6 Ų64.643%0.43437%0.365SS..EExtended strand (participates in β ladder)trans-106.8150.2-178.354.60000112.2L2186L2186-S2203 CarbonylContact O-C 3.57Å; L2186-S2203 WeakPolarHBondContact O-CA 3.49Å
2204K88.4Confident70.9Confident71 Ų7168.7 Ų68.731%0.30938%0.384SS..EExtended strand (participates in β ladder)trans-146.1138.5164.3-165.576.7-173.6-175.40109.3S2185 L2186 W2206 E2249 L2250S2185-K2204 WeakPolarHBondContact CA-O 3.41Å; L2186-K2204 PolarHBondContact N-O 3.32Å; L2186-K2204 PolarHBondContact O-N 2.73Å; K2204-W2206 HydrophobicContact CB-CH2 4.18Å; K2204-W2206 HydrophobicContact CB-CZ2 4.06Å; K2204-W2206 HydrophobicContact CG-CH2 4.46Å; K2204-W2206 HydrophobicContact CG-CZ2 3.88Å; K2204-E2249 HydrophobicContact CD-CB 4.16Å; K2204-E2249 WeakPolarHBondContact CD-OE2 3.22Å; K2204-E2249 IonicContact NZ-OE2 2.76Å; K2204-E2249 PolarHBondContact NZ-OE2 3.5Å; K2204-L2250 HydrophobicContact CB-CB 3.92Å; K2204-L2250 HydrophobicContact CB-CD1 4.02Å; K2204-L2250 HydrophobicContact CB-CG 4.24Å
2205S86.6Confident71.7Confident55 Ų5569 Ų6939%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-114143.8165.763.60000111.8E2183 V2184E2183-S2205 WeakPolarHBondContact OE1-CB 3.36Å; E2183-S2205 PolarHBondContact OE1-OG 3.05Å; V2184-S2205 CarbonylContact O-C 3.55Å; V2184-S2205 WeakPolarHBondContact O-CA 3.47Å
2206W86.3Confident72.4Confident25 Ų2566.5 Ų66.510%0.09537%0.37CS..EExtended strand (participates in β ladder)trans-114.3114.5175.5-60.7-82000108.2V2184 L2186 K2204 P2239 I2242 F2283V2184-W2206 HydrophobicContact CB-CE3 4.44Å; V2184-W2206 HydrophobicContact CG1-CE3 4.18Å; V2184-W2206 PolarHBondContact N-O 3.12Å; V2184-W2206 VanDerWaalsContact N-O 3.12Å; V2184-W2206 PolarHBondContact O-N 2.9Å; L2186-W2206 HydrophobicContact CB-CH2 4.08Å; L2186-W2206 HydrophobicContact CB-CZ3 3.74Å; L2186-W2206 HydrophobicContact CD2-CH2 4.28Å; K2204-W2206 HydrophobicContact CB-CH2 4.18Å; K2204-W2206 HydrophobicContact CB-CZ2 4.06Å; K2204-W2206 HydrophobicContact CG-CH2 4.46Å; K2204-W2206 HydrophobicContact CG-CZ2 3.88Å; W2206-P2239 HydrophobicContact CD2-CG 4.47Å; W2206-P2239 HydrophobicContact CH2-CG 3.77Å; W2206-P2239 HydrophobicContact CZ2-CG 3.58Å; W2206-P2239 HydrophobicContact CZ3-CG 4.27Å; W2206-I2242 HydrophobicContact CH2-CD1 4.01Å; W2206-F2283 HydrophobicContact CG-CE2 4.47Å
2207L85.2Confident73.4Confident76 Ų7665.1 Ų65.140%0.39836%0.363SS..EExtended strand (participates in β ladder)trans-88116174.4-61.7173.9000109.1N2181 E2183 R2280N2181-L2207 HydrophobicContact CB-CB 4.4Å; N2181-L2207 HydrophobicContact CB-CD2 4.23Å; E2183-L2207 HydrophobicContact CB-CD2 3.92Å; E2183-L2207 HydrophobicContact CG-CD2 4.07Å; L2207-R2280 PolarHBondContact O-NH2 3.43Å
2208V78.8Confident74.4Confident21 Ų2161.9 Ų61.913%0.12735%0.352CS..EExtended strand (participates in β ladder)trans-107.3114.6175.8-178.50000107.9F2182 I2210 I2234F2182-V2208 HydrophobicContact CB-CB 4.42Å; F2182-V2208 PolarHBondContact N-O 3.01Å; F2182-V2208 PolarHBondContact O-N 3Å; V2208-I2210 PolarHBondContact O-N 3Å; V2208-I2234 HydrophobicContact CG1-CG2 4.14Å
2209P77Confident75.3Confident77 Ų7765.6 Ų65.650%0.536%0.36SS..EExtended strand (participates in β ladder)trans-70.3123.4-178.227.5-33.2000110.6N2181 S2211N2181-P2209 WeakPolarHBondContact OD1-CA 3.36Å; P2209-S2211 PolarHBondContact O-N 2.68Å; P2209-S2211 VanDerWaalsContact O-N 3.16Å
2210I72.9Confident76.2Confident18 Ų1864.3 Ų64.39%0.09235%0.349CS..  trans-70.5114.3172.7-57.4171.9000107.5L2174 V2180 F2182 V2208 R2217 I2220L2174-I2210 HydrophobicContact CD2-CD1 4.29Å; V2180-I2210 HydrophobicContact CB-CD1 4.42Å; V2180-I2210 HydrophobicContact CG1-CD1 4.22Å; V2180-I2210 VanDerWaalsContact O-CB 3.28Å; V2180-I2210 WeakPolarHBondContact O-CB 3.31Å; V2180-I2210 WeakPolarHBondContact O-CG1 3.34Å; V2180-I2210 PolarHBondContact O-N 3.23Å; F2182-I2210 HydrophobicContact CB-CD1 4.35Å; F2182-I2210 HydrophobicContact CB-CG1 4.09Å; V2208-I2210 PolarHBondContact O-N 3Å; I2210-R2217 HydrophobicContact CG2-CG 4.45Å; I2210-R2217 PolarHBondContact O-NH2 2.97Å; I2210-I2220 HydrophobicContact CD1-CD1 4.45Å; I2210-I2220 HydrophobicContact CG2-CD1 3.84Å
2211S68.1Low76.7Confident53 Ų5362.2 Ų62.237%0.37134%0.337SS..  trans-53.9156.3-174.961.70000112.4P2209 D2213 R2217P2209-S2211 PolarHBondContact O-N 2.68Å; P2209-S2211 VanDerWaalsContact O-N 3.16Å; S2211-D2213 PolarHBondContact O-N 2.85Å; S2211-D2213 VanDerWaalsContact O-N 3.09Å; S2211-D2213 WeakPolarHBondContact OG-CB 3.42Å; S2211-R2217 PolarHBondContact O-NE 3.47Å
2212L63.6Low77Confident118 Ų11857.4 Ų57.462%0.61832%0.318SS*.SBendtrans-72.15.8174.2-64.6171000112.5M2214L2212-M2214 PolarHBondContact O-N 2.92Å
2213D66.4Low76.7Confident82 Ų8257.6 Ų57.644%0.43932%0.319SS..  trans-68.8112-176.6-148.9-37000110.4S2211 T2215 I2216 R2217S2211-D2213 PolarHBondContact O-N 2.85Å; S2211-D2213 VanDerWaalsContact O-N 3.09Å; S2211-D2213 WeakPolarHBondContact OG-CB 3.42Å; D2213-T2215 PolarHBondContact O-N 3.28Å; D2213-T2215 VanDerWaalsContact O-N 3.09Å; D2213-T2215 PolarHBondContact OD1-OG1 2.94Å; D2213-I2216 HydrophobicContact CB-CB 4.48Å; D2213-I2216 HydrophobicContact CB-CD1 4.27Å; D2213-I2216 HydrophobicContact CB-CG1 4.44Å; D2213-I2216 PolarHBondContact O-N 2.86Å; D2213-I2216 VanDerWaalsContact O-N 3.15Å; D2213-R2217 PolarHBondContact O-N 3.33Å
2214M68.5Low76.4Confident160 Ų16054.7 Ų54.779%0.78830%0.299SS*.Hα-helixtrans-59.7-25.9-175.6-163.2176.5-67.700111.6L2212 A2218L2212-M2214 PolarHBondContact O-N 2.92Å; M2214-A2218 WeakPolarHBondContact O-CB 3.47Å; M2214-A2218 PolarHBondContact O-N 3.35Å
2215T70.8Confident75.9Confident86 Ų8658.6 Ų58.653%0.52831%0.312SS..Hα-helixtrans-69.1-44.9177.461.70000113.1D2213 K2219D2213-T2215 PolarHBondContact O-N 3.28Å; D2213-T2215 VanDerWaalsContact O-N 3.09Å; D2213-T2215 PolarHBondContact OD1-OG1 2.94Å; T2215-K2219 WeakPolarHBondContact O-CG 3.5Å; T2215-K2219 PolarHBondContact O-N 2.85Å
2216I68.1Low75.1Confident59 Ų5957.2 Ų57.230%0.30331%0.306SS..Hα-helixtrans-73-43.4178.6-66171.7000109.4D2213 A2218 K2219 I2220D2213-I2216 HydrophobicContact CB-CB 4.48Å; D2213-I2216 HydrophobicContact CB-CD1 4.27Å; D2213-I2216 HydrophobicContact CB-CG1 4.44Å; D2213-I2216 PolarHBondContact O-N 2.86Å; D2213-I2216 VanDerWaalsContact O-N 3.15Å; I2216-A2218 VanDerWaalsContact C-N 3.33Å; I2216-A2218 PolarHBondContact O-N 2.95Å; I2216-K2219 PolarHBondContact O-N 2.66Å; I2216-I2220 HydrophobicContact CG2-CD1 3.97Å; I2216-I2220 WeakPolarHBondContact O-CG1 3.09Å; I2216-I2220 PolarHBondContact O-N 3.3Å
2217R74.6Confident74.4Confident13 Ų1359.6 Ų59.65%0.04932%0.321CS..Hα-helixtrans-60.6-39.8174.9-70.3-179.6171.7-127.6-1.8112.3L2174 R2176 T2178 I2210 S2211 D2213 I2220 Q2221L2174-R2217 PolarHBondContact O-NH1 2.97Å; R2176-R2217 PolarHBondContact O-NH1 2.63Å; T2178-R2217 PolarHBondContact O-NH1 3.34Å; T2178-R2217 PolarHBondContact O-NH2 2.69Å; I2210-R2217 HydrophobicContact CG2-CG 4.45Å; I2210-R2217 PolarHBondContact O-NH2 2.97Å; S2211-R2217 PolarHBondContact O-NE 3.47Å; D2213-R2217 PolarHBondContact O-N 3.33Å; R2217-I2220 PolarHBondContact O-N 3.32Å; R2217-Q2221 WeakPolarHBondContact O-CB 3.4Å; R2217-Q2221 WeakPolarHBondContact O-CG 3.3Å; R2217-Q2221 PolarHBondContact O-N 3.41Å
2218A76.6Confident73.4Confident47 Ų4762 Ų6239%0.38834%0.341SS..Hα-helixtrans-64-41.7174.600000112.8M2214 I2216 Q2221 S2222M2214-A2218 WeakPolarHBondContact O-CB 3.47Å; M2214-A2218 PolarHBondContact O-N 3.35Å; I2216-A2218 VanDerWaalsContact C-N 3.33Å; I2216-A2218 PolarHBondContact O-N 2.95Å; A2218-Q2221 PolarHBondContact O-N 3.35Å; A2218-S2222 PolarHBondContact O-N 3.11Å; A2218-S2222 PolarHBondContact O-OG 3.3Å
2219K76Confident72.9Confident122 Ų12264.4 Ų64.453%0.5337%0.37SS..Hα-helixtrans-63.3-41.4174.8-73.6177.7178.8-177.40112.6T2215 I2216 Q2221 S2222 A2223T2215-K2219 WeakPolarHBondContact O-CG 3.5Å; T2215-K2219 PolarHBondContact O-N 2.85Å; I2216-K2219 PolarHBondContact O-N 2.66Å; K2219-Q2221 VanDerWaalsContact C-N 3.33Å; K2219-S2222 PolarHBondContact O-N 2.95Å; K2219-S2222 PolarHBondContact O-OG 3.01Å; K2219-A2223 VanDerWaalsContact O-CB 3.3Å; K2219-A2223 WeakPolarHBondContact O-CB 3.36Å; K2219-A2223 PolarHBondContact O-N 2.88Å
2220I77.8Confident72.7Confident4 Ų464.6 Ų64.62%0.02136%0.364CS..Hα-helixtrans-63.5-42173.5-63.2166.9000109.7L2174 I2210 I2216 R2217 L2224 I2232L2174-I2220 HydrophobicContact CD1-CG2 3.6Å; I2210-I2220 HydrophobicContact CD1-CD1 4.45Å; I2210-I2220 HydrophobicContact CG2-CD1 3.84Å; I2216-I2220 HydrophobicContact CG2-CD1 3.97Å; I2216-I2220 WeakPolarHBondContact O-CG1 3.09Å; I2216-I2220 PolarHBondContact O-N 3.3Å; R2217-I2220 PolarHBondContact O-N 3.32Å; I2220-L2224 HydrophobicContact CG2-CD1 3.72Å; I2220-L2224 HydrophobicContact CG2-CG 4.2Å; I2220-L2224 VanDerWaalsContact O-CB 3.28Å; I2220-L2224 WeakPolarHBondContact O-CB 3.48Å; I2220-L2224 WeakPolarHBondContact O-CG 3.27Å; I2220-L2224 PolarHBondContact O-N 3.46Å; I2220-I2232 HydrophobicContact CB-CD1 4.43Å; I2220-I2232 HydrophobicContact CD1-CG2 4.45Å; I2220-I2232 HydrophobicContact CG1-CD1 4.24Å; I2220-I2232 HydrophobicContact CG1-CG1 4.15Å; I2220-I2232 HydrophobicContact CG1-CG2 3.88Å; I2220-I2232 HydrophobicContact CG2-CD1 4.19Å
2221Q79.5Confident72.8Confident39 Ų3966.8 Ų66.818%0.18238%0.379CS..Hα-helixtrans-64.9-39.7177.6-72.7168.723.500113.6L2174 R2217 A2218 K2219 R2225L2174-Q2221 HydrophobicContact CB-CG 4.4Å; L2174-Q2221 PolarHBondContact O-NE2 2.82Å; R2217-Q2221 WeakPolarHBondContact O-CB 3.4Å; R2217-Q2221 WeakPolarHBondContact O-CG 3.3Å; R2217-Q2221 PolarHBondContact O-N 3.41Å; A2218-Q2221 PolarHBondContact O-N 3.35Å; K2219-Q2221 VanDerWaalsContact C-N 3.33Å; Q2221-R2225 VanDerWaalsContact O-CG 3.24Å; Q2221-R2225 WeakPolarHBondContact O-CG 3.31Å; Q2221-R2225 PolarHBondContact O-N 3.3Å
2222S81.1Confident73.4Confident17 Ų1764.5 Ų64.512%0.11936%0.363CS..Hα-helixtrans-71.9-41176.660.10000112.2A2218 K2219 L2224 R2225 G2226 D2227 H2230A2218-S2222 PolarHBondContact O-N 3.11Å; A2218-S2222 PolarHBondContact O-OG 3.3Å; K2219-S2222 PolarHBondContact O-N 2.95Å; K2219-S2222 PolarHBondContact O-OG 3.01Å; S2222-L2224 VanDerWaalsContact C-N 3.35Å; S2222-L2224 PolarHBondContact O-N 3.5Å; S2222-R2225 WeakPolarHBondContact O-CB 3.36Å; S2222-R2225 PolarHBondContact O-N 3.15Å; S2222-R2225 VanDerWaalsContact O-N 3.12Å; S2222-G2226 PolarHBondContact O-N 3.28Å; S2222-D2227 WeakPolarHBondContact CB-OD2 3.38Å; S2222-D2227 PolarHBondContact O-N 2.97Å; S2222-D2227 VanDerWaalsContact O-N 3.1Å; S2222-H2230 PolarHBondContact OG-CD2 3.46Å; S2222-H2230 VanDerWaalsContact OG-CD2 3.22Å
2223A79Confident74.2Confident4 Ų463.4 Ų63.43%0.03336%0.357CS..Hα-helixtrans-57.1-46.517000000111.7K2219 R2225 G2226 H2230 I2232 L2290 W2301K2219-A2223 VanDerWaalsContact O-CB 3.3Å; K2219-A2223 WeakPolarHBondContact O-CB 3.36Å; K2219-A2223 PolarHBondContact O-N 2.88Å; A2223-R2225 VanDerWaalsContact C-N 3.29Å; A2223-R2225 PolarHBondContact O-N 3.34Å; A2223-G2226 PolarHBondContact O-N 3.31Å; A2223-G2226 VanDerWaalsContact O-N 3.1Å; A2223-H2230 HydrophobicContact CB-CB 4.33Å; A2223-H2230 WeakPolarHBondContact CB-O 3.43Å; A2223-I2232 HydrophobicContact CB-CD1 3.79Å; A2223-I2232 HydrophobicContact CB-CG1 3.72Å; A2223-L2290 VanDerWaalsContact O-CD2 3.25Å; A2223-L2290 WeakPolarHBondContact O-CD2 3.3Å; A2223-W2301 HydrophobicContact CB-CH2 4.48Å
2224L79.4Confident74.8Confident1 Ų160.2 Ų60.21%0.00534%0.34CS..Hα-helixtrans-66-26176.2-71.4171.7000113.7W2160 R2167 M2170 I2171 L2174 I2220 S2222 W2301W2160-L2224 HydrophobicContact CH2-CD2 3.43Å; W2160-L2224 VanDerWaalsContact CH2-CD2 3.43Å; W2160-L2224 HydrophobicContact CZ2-CD2 4.03Å; W2160-L2224 HydrophobicContact CZ3-CD2 4.29Å; R2167-L2224 VanDerWaalsContact CZ-O 3.25Å; R2167-L2224 PolarHBondContact NE-O 2.97Å; R2167-L2224 PolarHBondContact NH2-O 2.94Å; M2170-L2224 HydrophobicContact CG-CD1 3.98Å; M2170-L2224 HydrophobicContact SD-CD1 3.67Å; M2170-L2224 HydrophobicContact SD-CD2 3.5Å; M2170-L2224 VanDerWaalsContact SD-CD2 3.5Å; M2170-L2224 HydrophobicContact SD-CG 4.27Å; I2171-L2224 HydrophobicContact CD1-CB 4.2Å; I2171-L2224 HydrophobicContact CG1-CB 3.96Å; I2171-L2224 HydrophobicContact CG1-CD1 4.2Å; L2174-L2224 HydrophobicContact CD1-CD1 3.35Å; I2220-L2224 HydrophobicContact CG2-CD1 3.72Å; I2220-L2224 HydrophobicContact CG2-CG 4.2Å; I2220-L2224 VanDerWaalsContact O-CB 3.28Å; I2220-L2224 WeakPolarHBondContact O-CB 3.48Å; I2220-L2224 WeakPolarHBondContact O-CG 3.27Å; I2220-L2224 PolarHBondContact O-N 3.46Å; S2222-L2224 VanDerWaalsContact C-N 3.35Å; S2222-L2224 PolarHBondContact O-N 3.5Å; L2224-W2301 HydrophobicContact CD2-CH2 4.38Å; L2224-W2301 HydrophobicContact CD2-CZ2 4.08Å
2225R78.6Confident75.2Confident154 Ų15456 Ų5658%0.58133%0.325SS*.Hα-helixtrans-75.1-26.1172.2-77.1169.4-177.1-172.52.3112.8R2167 I2171 Q2221 S2222 A2223R2167-R2225 PolarHBondContact NH2-O 3.47Å; I2171-R2225 HydrophobicContact CD1-CG 4.31Å; Q2221-R2225 VanDerWaalsContact O-CG 3.24Å; Q2221-R2225 WeakPolarHBondContact O-CG 3.31Å; Q2221-R2225 PolarHBondContact O-N 3.3Å; S2222-R2225 WeakPolarHBondContact O-CB 3.36Å; S2222-R2225 PolarHBondContact O-N 3.15Å; S2222-R2225 VanDerWaalsContact O-N 3.12Å; A2223-R2225 VanDerWaalsContact C-N 3.29Å; A2223-R2225 PolarHBondContact O-N 3.34Å
2226G68.8Low75.5Confident25 Ų2554 Ų5426%0.25831%0.309SS..THydrogen-bonded Turntrans99.721.2-179.200000113.7S2222 A2223 P2228S2222-G2226 PolarHBondContact O-N 3.28Å; A2223-G2226 PolarHBondContact O-N 3.31Å; A2223-G2226 VanDerWaalsContact O-N 3.1Å; G2226-P2228 VanDerWaalsContact O-CD 3.27Å; G2226-P2228 WeakPolarHBondContact O-CD 3.18Å
2227D70.5Confident76.1Confident75 Ų7551.1 Ų51.140%0.40130%0.295SS..  trans-73.6109.2177-63.4-48.4000109.9S2222 H2230S2222-D2227 WeakPolarHBondContact CB-OD2 3.38Å; S2222-D2227 PolarHBondContact O-N 2.97Å; S2222-D2227 VanDerWaalsContact O-N 3.1Å; D2227-H2230 PolarHBondContact O-ND1 3.48Å
2228P66.3Low76.6Confident127 Ų12750.7 Ų50.783%0.82529%0.293SS*.THydrogen-bonded Turntrans-62.8139.7-173.326.1-34.7000111.8G2226G2226-P2228 VanDerWaalsContact O-CD 3.27Å; G2226-P2228 WeakPolarHBondContact O-CD 3.18Å
2229G66.6Low77Confident72 Ų7248.5 Ų48.574%0.74228%0.275SS*.THydrogen-bonded Turntrans98.99.5178.800000116.2P2231G2229-P2231 WeakPolarHBondContact O-CD 3.4Å
2230H74Confident77.3Confident80 Ų8042.9 Ų42.937%0.3725%0.252SS..  trans-107.786178.2-65.395.9000112.9S2222 A2223 D2227S2222-H2230 PolarHBondContact OG-CD2 3.46Å; S2222-H2230 VanDerWaalsContact OG-CD2 3.22Å; A2223-H2230 HydrophobicContact CB-CB 4.33Å; A2223-H2230 WeakPolarHBondContact CB-O 3.43Å; D2227-H2230 PolarHBondContact O-ND1 3.48Å
2231P75.3Confident77.7Confident64 Ų6442.9 Ų42.942%0.41625%0.251SS..  trans-68.3135.1172.527.4-34000111.5G2229 L2233 N2289G2229-P2231 WeakPolarHBondContact O-CD 3.4Å; P2231-L2233 PolarHBondContact O-N 2.92Å; P2231-N2289 WeakPolarHBondContact CA-OD1 3.19Å; P2231-N2289 WeakPolarHBondContact CB-OD1 3.4Å
2232I79Confident78.2Confident6 Ų641 Ų413%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-87106170-60.7175.2000108I2220 A2223 I2234 T2287 L2288 W2301I2220-I2232 HydrophobicContact CB-CD1 4.43Å; I2220-I2232 HydrophobicContact CD1-CG2 4.45Å; I2220-I2232 HydrophobicContact CG1-CD1 4.24Å; I2220-I2232 HydrophobicContact CG1-CG1 4.15Å; I2220-I2232 HydrophobicContact CG1-CG2 3.88Å; I2220-I2232 HydrophobicContact CG2-CD1 4.19Å; A2223-I2232 HydrophobicContact CB-CD1 3.79Å; A2223-I2232 HydrophobicContact CB-CG1 3.72Å; I2232-I2234 HydrophobicContact CG2-CD1 3.77Å; I2232-I2234 HydrophobicContact CG2-CG1 3.83Å; I2232-T2287 CarbonylContact O-C 3.57Å; I2232-T2287 WeakPolarHBondContact O-CA 3.44Å; I2232-L2288 HydrophobicContact CB-CB 4.18Å; I2232-L2288 PolarHBondContact N-O 3.21Å; I2232-L2288 PolarHBondContact O-N 3.12Å; I2232-W2301 HydrophobicContact CD1-CH2 3.69Å; I2232-W2301 HydrophobicContact CD1-CZ3 3.68Å
2233L81.4Confident78.6Confident95 Ų9541.9 Ų41.950%0.49725%0.245SC..EExtended strand (participates in β ladder)trans-92.9125173.2175.467000110.1P2231 T2287P2231-L2233 PolarHBondContact O-N 2.92Å; L2233-T2287 HydrophobicContact CB-CG2 4.44Å; L2233-T2287 HydrophobicContact CD1-CG2 3.56Å
2234I78.7Confident79Confident14 Ų1441.9 Ų41.97%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-127.299.4178.8-60.3172.9000108.4F2182 V2208 I2232 S2237 L2286F2182-I2234 HydrophobicContact CD1-CD1 3.82Å; F2182-I2234 HydrophobicContact CD1-CG2 4.03Å; F2182-I2234 HydrophobicContact CD2-CD1 3.46Å; F2182-I2234 VanDerWaalsContact CD2-CD1 3.46Å; F2182-I2234 HydrophobicContact CE1-CD1 3.62Å; F2182-I2234 HydrophobicContact CE1-CG2 4.24Å; F2182-I2234 HydrophobicContact CE2-CD1 3.24Å; F2182-I2234 HydrophobicContact CG-CD1 3.72Å; F2182-I2234 HydrophobicContact CZ-CD1 3.3Å; V2208-I2234 HydrophobicContact CG1-CG2 4.14Å; I2232-I2234 HydrophobicContact CG2-CD1 3.77Å; I2232-I2234 HydrophobicContact CG2-CG1 3.83Å; I2234-S2237 PolarHBondContact O-OG 3.48Å; I2234-L2286 PolarHBondContact N-O 2.99Å; I2234-L2286 PolarHBondContact O-N 3.48Å
2235P76.8Confident79.1Confident72 Ų7242.5 Ų42.547%0.46825%0.249SC..EExtended strand (participates in β ladder)trans-65.8152.3-176.628.3-34.8000112S2237P2235-S2237 PolarHBondContact O-N 3.39Å
2236Q78.3Confident78.7Confident43 Ų4337 Ų3720%0.20123%0.231CC..EExtended strand (participates in β ladder)trans53.945167.1-60.7173.1-21.200114.7R2280 F2283 D2284Q2236-R2280 HydrophobicContact CB-CB 4.39Å; Q2236-F2283 HydrophobicContact CB-CB 4.3Å; Q2236-D2284 CarbonylContact C-O 3.58Å; Q2236-D2284 WeakPolarHBondContact CA-O 3.28Å; Q2236-D2284 PolarHBondContact N-O 3.45Å
2237S79.3Confident78.7Confident0 Ų041 Ų410%024%0.243CC..EExtended strand (participates in β ladder)trans-110.9-19.4-167.247.60000115.9V2184 I2234 P2235 D2284 L2286V2184-S2237 WeakPolarHBondContact CG2-O 3.5Å; I2234-S2237 PolarHBondContact O-OG 3.48Å; P2235-S2237 PolarHBondContact O-N 3.39Å; S2237-D2284 PolarHBondContact N-O 3.46Å; S2237-L2286 VanDerWaalsContact OG-CB 3.22Å; S2237-L2286 WeakPolarHBondContact OG-CB 3.35Å; S2237-L2286 PolarHBondContact OG-N 2.93Å
2238I85.7Confident78.9Confident3 Ų339.7 Ų39.72%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-134.8129.6176.2-168.7173.4000112.1L2077 V2184 F2283 D2284 L2330 V2332L2077-I2238 HydrophobicContact CD1-CD1 4.05Å; L2077-I2238 HydrophobicContact CD2-CD1 3.84Å; V2184-I2238 HydrophobicContact CG1-CB 4.44Å; V2184-I2238 HydrophobicContact CG1-CG1 4.36Å; I2238-F2283 WeakPolarHBondContact O-CB 3.42Å; I2238-D2284 HydrophobicContact CG2-CB 3.83Å; I2238-D2284 PolarHBondContact N-O 3.06Å; I2238-D2284 PolarHBondContact O-N 2.79Å; I2238-L2330 HydrophobicContact CD1-CD1 4.35Å; I2238-V2332 HydrophobicContact CD1-CG2 4.04Å; I2238-V2332 HydrophobicContact CG1-CG2 4.48Å
2239P85.5Confident79.6Confident1 Ų139.2 Ų39.21%0.00623%0.233CC..  trans-81.1127.8-179.828.8-31.8000112.6W2206 F2241 I2242 L2252 W2282 F2283W2206-P2239 HydrophobicContact CD2-CG 4.47Å; W2206-P2239 HydrophobicContact CH2-CG 3.77Å; W2206-P2239 HydrophobicContact CZ2-CG 3.58Å; W2206-P2239 HydrophobicContact CZ3-CG 4.27Å; P2239-F2241 VanDerWaalsContact C-N 3.3Å; P2239-F2241 PolarHBondContact O-N 3.22Å; P2239-I2242 HydrophobicContact CB-CG1 4.39Å; P2239-I2242 HydrophobicContact CG-CD1 3.94Å; P2239-I2242 HydrophobicContact CG-CG1 4.01Å; P2239-L2252 HydrophobicContact CB-CD2 3.73Å; P2239-L2252 HydrophobicContact CG-CD2 3.95Å; P2239-W2282 HydrophobicContact CB-CH2 4.2Å; P2239-W2282 HydrophobicContact CB-CZ3 4.44Å; P2239-F2283 HydrophobicContact CB-CD1 3.89Å; P2239-F2283 HydrophobicContact CB-CD2 4.43Å; P2239-F2283 HydrophobicContact CB-CE1 3.78Å; P2239-F2283 HydrophobicContact CB-CE2 4.31Å; P2239-F2283 HydrophobicContact CB-CG 4.23Å; P2239-F2283 HydrophobicContact CB-CZ 4Å; P2239-F2283 HydrophobicContact CG-CE2 4.45Å; P2239-F2283 HydrophobicContact CG-CZ 4.4Å
2240A80.7Confident80.5Confident5 Ų536.1 Ų36.14%0.04120%0.2CC..SBendtrans-69.3-22.3178.900000114.5W2316 V2333A2240-W2316 HydrophobicContact CB-CE3 4.46Å; A2240-W2316 HydrophobicContact CB-CZ3 3.95Å; A2240-V2333 WeakPolarHBondContact O-CB 3.34Å; A2240-V2333 PolarHBondContact O-N 2.98Å
2241F87.8Confident81.1Confident3 Ų335 Ų351%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-130.1130.7-178.9-61.5-77.9000111.1L2113 P2239 P2253 I2256 I2260 W2282 W2316 V2333 F2335L2113-F2241 HydrophobicContact CD1-CZ 4.26Å; L2113-F2241 HydrophobicContact CD2-CE1 4.39Å; P2239-F2241 VanDerWaalsContact C-N 3.3Å; P2239-F2241 PolarHBondContact O-N 3.22Å; F2241-P2253 HydrophobicContact CB-CG 3.68Å; F2241-P2253 VanDerWaalsContact O-CD 3.28Å; F2241-P2253 WeakPolarHBondContact O-CD 3.25Å; F2241-I2256 HydrophobicContact CD2-CG2 4.24Å; F2241-I2256 HydrophobicContact CE2-CG2 4.37Å; F2241-I2260 HydrophobicContact CE2-CD1 4.22Å; F2241-W2282 HydrophobicContact CB-CH2 4.35Å; F2241-W2282 HydrophobicContact CB-CZ3 3.93Å; F2241-W2282 HydrophobicContact CD2-CE3 4.44Å; F2241-W2282 HydrophobicContact CD2-CZ3 4.03Å; F2241-W2282 HydrophobicContact CG-CZ3 4.49Å; F2241-W2282 WeakPolarHBondContact O-CH2 3.14Å; F2241-W2316 HydrophobicContact CD2-CZ3 4.42Å; F2241-W2316 HydrophobicContact CE2-CE3 4.08Å; F2241-W2316 AromaticContact CE2-CZ3 3.82Å; F2241-W2316 HydrophobicContact CE2-CZ3 3.82Å; F2241-V2333 CarbonylContact C-O 3.59Å; F2241-V2333 WeakPolarHBondContact CA-O 3.47Å; F2241-V2333 HydrophobicContact CD1-CB 3.79Å; F2241-V2333 HydrophobicContact CD1-CG1 4.06Å; F2241-V2333 HydrophobicContact CD1-CG2 4.22Å; F2241-V2333 HydrophobicContact CE1-CB 4.21Å; F2241-V2333 HydrophobicContact CE1-CG1 4.37Å; F2241-V2333 HydrophobicContact CE1-CG2 4.19Å; F2241-F2335 HydrophobicContact CB-CE2 4.29Å; F2241-F2335 HydrophobicContact CD1-CE2 4Å; F2241-F2335 HydrophobicContact CD1-CZ 4.36Å
2242I90.1Very high81.5Confident0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-141145.2-173.6-54.7-178.4000109.6L2186 W2206 P2239 L2250 V2332 V2333 G2334 F2335L2186-I2242 HydrophobicContact CD2-CD1 3.23Å; W2206-I2242 HydrophobicContact CH2-CD1 4.01Å; P2239-I2242 HydrophobicContact CB-CG1 4.39Å; P2239-I2242 HydrophobicContact CG-CD1 3.94Å; P2239-I2242 HydrophobicContact CG-CG1 4.01Å; I2242-L2250 HydrophobicContact CG2-CB 3.91Å; I2242-L2250 HydrophobicContact CG2-CD1 4.41Å; I2242-L2250 HydrophobicContact CG2-CD2 4.42Å; I2242-L2250 HydrophobicContact CG2-CG 4.48Å; I2242-V2332 HydrophobicContact CD1-CG1 3.54Å; I2242-V2332 HydrophobicContact CG1-CG1 4.01Å; I2242-V2333 PolarHBondContact N-O 3Å; I2242-G2334 CarbonylContact O-C 3.59Å; I2242-G2334 WeakPolarHBondContact O-CA 3.32Å; I2242-F2335 WeakPolarHBondContact O-CD2 3.3Å; I2242-F2335 PolarHBondContact O-N 3.25Å
2243Q89.2Confident81.8Confident35 Ų3534.3 Ų34.316%0.16419%0.191CC..EExtended strand (participates in β ladder)trans-106.9137.8169176.3-172.65.300110.4Y2138 Y2142 P2245 T2251 F2335 D2337Y2138-Q2243 PolarHBondContact OH-OE1 2.96Å; Y2142-Q2243 PolarHBondContact OH-NE2 2.72Å; Y2142-Q2243 VanDerWaalsContact OH-NE2 3.11Å; Q2243-P2245 VanDerWaalsContact O-CD 3.31Å; Q2243-P2245 WeakPolarHBondContact O-CD 3.49Å; Q2243-T2251 WeakPolarHBondContact CB-OG1 3.33Å; Q2243-T2251 PolarHBondContact N-O 3.47Å; Q2243-T2251 PolarHBondContact O-N 2.88Å; Q2243-T2251 PolarHBondContact OE1-OG1 3.27Å; Q2243-F2335 CarbonylContact C-O 3.5Å; Q2243-F2335 WeakPolarHBondContact CA-O 3.39Å; Q2243-F2335 HydrophobicContact CB-CB 4.41Å; Q2243-D2337 PolarHBondContact NE2-OD1 3.44Å
2244V86.4Confident81.6Confident4 Ų434.4 Ų34.42%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-108.890.6178.7-1670000108.1F2188 R2190 H2202 L2250 F2335 D2337F2188-V2244 HydrophobicContact CB-CG1 4.34Å; F2188-V2244 HydrophobicContact CD1-CG2 4.01Å; F2188-V2244 HydrophobicContact CD2-CG2 4.17Å; F2188-V2244 HydrophobicContact CE1-CG2 3.99Å; F2188-V2244 HydrophobicContact CE2-CG2 4.13Å; F2188-V2244 HydrophobicContact CG-CG1 4.47Å; F2188-V2244 HydrophobicContact CG-CG2 4.1Å; F2188-V2244 HydrophobicContact CZ-CG2 4.05Å; R2190-V2244 PolarHBondContact NH2-O 3.48Å; H2202-V2244 HydrophobicContact CB-CG1 4.19Å; V2244-L2250 HydrophobicContact CB-CD2 4.33Å; V2244-L2250 HydrophobicContact CG1-CD2 4.06Å; V2244-L2250 HydrophobicContact CG2-CD2 4.05Å; V2244-F2335 PolarHBondContact N-O 3.03Å; V2244-D2337 PolarHBondContact O-N 3.19Å; V2244-D2337 VanDerWaalsContact O-N 3.08Å
2245P81.1Confident81.7Confident15 Ų1534.4 Ų34.410%0.09720%0.197CC..  trans-69.6162.7-176.229.2-35.5000112.2R2190 H2202 Q2243 Q2247 E2249 D2337R2190-P2245 PolarHBondContact NH2-O 3.03Å; H2202-P2245 PolarHBondContact CE1-O 3.46Å; H2202-P2245 PolarHBondContact ND1-O 2.96Å; H2202-P2245 PolarHBondContact NE2-O 3.05Å; Q2243-P2245 VanDerWaalsContact O-CD 3.31Å; Q2243-P2245 WeakPolarHBondContact O-CD 3.49Å; P2245-Q2247 VanDerWaalsContact C-N 3.32Å; P2245-Q2247 PolarHBondContact O-N 3.28Å; P2245-E2249 WeakPolarHBondContact CG-O 3.46Å; P2245-D2337 WeakPolarHBondContact CA-OD2 3.36Å
2246N71Confident81.9Confident38 Ų3831 Ų3120%0.20318%0.175CC..SBendtrans-63.1-34.7176.8-78.1-41.1000114D2337 R2338 A2339N2246-D2337 HydrophobicContact CB-CB 4.49Å; N2246-D2337 PolarHBondContact N-OD2 3.02Å; N2246-D2337 PolarHBondContact OD1-O 3.1Å; N2246-R2338 PolarHBondContact ND2-O 2.92Å; N2246-R2338 VanDerWaalsContact OD1-C 3.28Å; N2246-R2338 PolarHBondContact OD1-O 3.12Å; N2246-A2339 WeakPolarHBondContact OD1-CA 3.32Å; N2246-A2339 PolarHBondContact OD1-N 3.23Å
2247Q69.8Low81.8Confident110 Ų11029 Ų2951%0.51417%0.166SC..SBendtrans-143.5128.2179.4-60.7-166.6-48.200108.5N2197 P2245N2197-Q2247 PolarHBondContact O-NE2 3.09Å; P2245-Q2247 VanDerWaalsContact C-N 3.32Å; P2245-Q2247 PolarHBondContact O-N 3.28Å
2248G73.7Confident81.7Confident46 Ų4632.2 Ų32.247%0.47418%0.183SC..SBendtrans116.9-177.8-179.200000114.5H2202H2202-G2248 PolarHBondContact ND1-O 3.03Å
2249E81.8Confident81.3Confident117 Ų11732.3 Ų32.355%0.54718%0.184SC..SBendtrans-70.7164.8175.6-61.2174.8-16900112.1K2204 P2245K2204-E2249 HydrophobicContact CD-CB 4.16Å; K2204-E2249 WeakPolarHBondContact CD-OE2 3.22Å; K2204-E2249 IonicContact NZ-OE2 2.76Å; K2204-E2249 PolarHBondContact NZ-OE2 3.5Å; P2245-E2249 WeakPolarHBondContact CG-O 3.46Å
2250L84.7Confident80.9Confident8 Ų833 Ų334%0.04219%0.187CC..  trans-63136.1174.7-53.4169.7000111.2L2186 F2188 H2202 K2204 I2242 V2244L2186-L2250 HydrophobicContact CB-CD1 4.35Å; L2186-L2250 HydrophobicContact CD2-CD1 4.23Å; L2186-L2250 HydrophobicContact CG-CD1 4.26Å; L2186-L2250 WeakPolarHBondContact O-CD1 3.29Å; F2188-L2250 HydrophobicContact CD2-CD1 3.74Å; F2188-L2250 HydrophobicContact CD2-CD2 3.54Å; F2188-L2250 HydrophobicContact CD2-CG 4.29Å; F2188-L2250 HydrophobicContact CE2-CD1 4.02Å; F2188-L2250 HydrophobicContact CE2-CD2 4.07Å; F2188-L2250 HydrophobicContact CG-CD2 4.3Å; H2202-L2250 HydrophobicContact CB-CD2 3.65Å; H2202-L2250 HydrophobicContact CB-CG 4.3Å; H2202-L2250 WeakPolarHBondContact O-CG 3.42Å; K2204-L2250 HydrophobicContact CB-CB 3.92Å; K2204-L2250 HydrophobicContact CB-CD1 4.02Å; K2204-L2250 HydrophobicContact CB-CG 4.24Å; I2242-L2250 HydrophobicContact CG2-CB 3.91Å; I2242-L2250 HydrophobicContact CG2-CD1 4.41Å; I2242-L2250 HydrophobicContact CG2-CD2 4.42Å; I2242-L2250 HydrophobicContact CG2-CG 4.48Å; V2244-L2250 HydrophobicContact CB-CD2 4.33Å; V2244-L2250 HydrophobicContact CG1-CD2 4.06Å; V2244-L2250 HydrophobicContact CG2-CD2 4.05Å
2251T86.4Confident80.4Confident56 Ų5633.8 Ų33.834%0.34419%0.191SC..BIsolated β-bridgetrans-109.1159.3179.848.70000111.6Q2243Q2243-T2251 WeakPolarHBondContact CB-OG1 3.33Å; Q2243-T2251 PolarHBondContact N-O 3.47Å; Q2243-T2251 PolarHBondContact O-N 2.88Å; Q2243-T2251 PolarHBondContact OE1-OG1 3.27Å
2252L84.3Confident79.4Confident55 Ų5537.4 Ų37.429%0.28821%0.21SC..  trans-102.4134.7176.8-64.9168.9000109.5P2239 T2254 W2282 F2283P2239-L2252 HydrophobicContact CB-CD2 3.73Å; P2239-L2252 HydrophobicContact CG-CD2 3.95Å; L2252-T2254 VanDerWaalsContact C-N 3.3Å; L2252-T2254 PolarHBondContact O-N 3.08Å; L2252-W2282 HydrophobicContact CB-CZ2 4.3Å; L2252-W2282 HydrophobicContact CD2-CH2 4.08Å; L2252-W2282 HydrophobicContact CD2-CZ2 4.15Å; L2252-F2283 HydrophobicContact CD1-CE1 4.16Å; L2252-F2283 HydrophobicContact CD1-CZ 3.85Å; L2252-F2283 HydrophobicContact CD2-CE1 4.38Å; L2252-F2283 HydrophobicContact CD2-CZ 4.33Å
2253P84.3Confident77.9Confident1 Ų138.8 Ų38.81%0.00622%0.217CC..  trans-74.581.3178.329.9-33.4000110.7Y2138 F2241 S2255 I2256 G2257 F2335Y2138-P2253 HydrophobicContact CD1-CB 4.49Å; Y2138-P2253 HydrophobicContact CE1-CB 3.69Å; F2241-P2253 HydrophobicContact CB-CG 3.68Å; F2241-P2253 VanDerWaalsContact O-CD 3.28Å; F2241-P2253 WeakPolarHBondContact O-CD 3.25Å; P2253-S2255 PolarHBondContact O-N 3.48Å; P2253-I2256 HydrophobicContact CB-CB 4.37Å; P2253-I2256 HydrophobicContact CB-CD1 4.05Å; P2253-I2256 HydrophobicContact CB-CG1 4.28Å; P2253-I2256 HydrophobicContact CG-CD1 4.31Å; P2253-I2256 PolarHBondContact O-N 3.44Å; P2253-I2256 VanDerWaalsContact O-N 3.08Å; P2253-G2257 PolarHBondContact O-N 3.48Å; P2253-F2335 HydrophobicContact CG-CE2 4.34Å
2254T78.5Confident76.2Confident96 Ų9639.6 Ų39.659%0.58924%0.235SC*.Hα-helixtrans-61.9-24.8-173.757.30000114L2252 N2258L2252-T2254 VanDerWaalsContact C-N 3.3Å; L2252-T2254 PolarHBondContact O-N 3.08Å; T2254-N2258 WeakPolarHBondContact O-CB 3.36Å; T2254-N2258 PolarHBondContact O-N 2.9Å; T2254-N2258 PolarHBondContact O-ND2 2.89Å
2255S80.2Confident74.7Confident14 Ų1445.9 Ų45.910%0.09827%0.269CS..Hα-helixtrans-56.9-56.3169.845.80000111S2135 Y2138 P2253 T2259S2135-S2255 PolarHBondContact OG-O 3.41Å; Y2138-S2255 WeakPolarHBondContact CB-OG 3.28Å; Y2138-S2255 WeakPolarHBondContact CD2-OG 3.03Å; Y2138-S2255 VanDerWaalsContact CG-OG 3.27Å; P2253-S2255 PolarHBondContact O-N 3.48Å; S2255-T2259 PolarHBondContact O-N 3.27Å; S2255-T2259 PolarHBondContact O-OG1 3.22Å
2256I80.5Confident73.3Confident0 Ų049.8 Ų49.80%029%0.294CS..Hα-helixtrans-59.9-57.6178.2-58.9179.2000109L2117 S2135 Y2138 F2241 P2253 N2258 T2259 I2260 F2335L2117-I2256 HydrophobicContact CD2-CG2 4.47Å; S2135-I2256 WeakPolarHBondContact OG-CA 3.1Å; S2135-I2256 PolarHBondContact OG-N 3.42Å; Y2138-I2256 HydrophobicContact CD1-CD1 4.08Å; Y2138-I2256 HydrophobicContact CD1-CG1 4.32Å; Y2138-I2256 HydrophobicContact CE1-CD1 4.28Å; F2241-I2256 HydrophobicContact CD2-CG2 4.24Å; F2241-I2256 HydrophobicContact CE2-CG2 4.37Å; P2253-I2256 HydrophobicContact CB-CB 4.37Å; P2253-I2256 HydrophobicContact CB-CD1 4.05Å; P2253-I2256 HydrophobicContact CB-CG1 4.28Å; P2253-I2256 HydrophobicContact CG-CD1 4.31Å; P2253-I2256 PolarHBondContact O-N 3.44Å; P2253-I2256 VanDerWaalsContact O-N 3.08Å; I2256-N2258 PolarHBondContact O-N 2.84Å; I2256-T2259 WeakPolarHBondContact O-CA 3.25Å; I2256-T2259 VanDerWaalsContact O-CB 3.31Å; I2256-T2259 WeakPolarHBondContact O-CB 3.42Å; I2256-T2259 PolarHBondContact O-N 3.34Å; I2256-I2260 HydrophobicContact CG2-CD1 4.16Å; I2256-I2260 HydrophobicContact CG2-CG1 4.45Å; I2256-I2260 WeakPolarHBondContact O-CG1 3.39Å; I2256-I2260 PolarHBondContact O-N 3.03Å; I2256-I2260 VanDerWaalsContact O-N 3.1Å; I2256-F2335 HydrophobicContact CD1-CE2 3.9Å; I2256-F2335 HydrophobicContact CD1-CZ 3.69Å
2257G77.3Confident72.7Confident1 Ų155 Ų551%0.0131%0.311CS..Hα-helixtrans-53.2-46.1-178.200000113.7P2253 T2259 I2260 I2261P2253-G2257 PolarHBondContact O-N 3.48Å; G2257-T2259 PolarHBondContact O-N 3.45Å; G2257-I2260 WeakPolarHBondContact O-CB 3.49Å; G2257-I2260 PolarHBondContact O-N 3.3Å; G2257-I2261 WeakPolarHBondContact O-CD1 3.42Å; G2257-I2261 VanDerWaalsContact O-CG1 3.29Å; G2257-I2261 WeakPolarHBondContact O-CG1 3.4Å; G2257-I2261 PolarHBondContact O-N 3.11Å
2258N77.5Confident72.4Confident69 Ų6950.6 Ų50.637%0.36929%0.291SS..Hα-helixtrans-60.6-29.9176.7-80-45.2000113.4R2131 T2254 I2256 N2262R2131-N2258 WeakPolarHBondContact CD-O 3.41Å; T2254-N2258 WeakPolarHBondContact O-CB 3.36Å; T2254-N2258 PolarHBondContact O-N 2.9Å; T2254-N2258 PolarHBondContact O-ND2 2.89Å; I2256-N2258 PolarHBondContact O-N 2.84Å; N2258-N2262 WeakPolarHBondContact O-CB 3.33Å; N2258-N2262 PolarHBondContact O-N 3.45Å; N2258-N2262 PolarHBondContact O-ND2 3.04Å
2259T77.3Confident72Confident5 Ų553.8 Ų53.83%0.03130%0.297CS..Hα-helixtrans-79.1-25.3177.5-46.60000112S2120 R2131 S2135 S2255 I2256 G2257S2120-T2259 WeakPolarHBondContact OG-CG2 3.36Å; R2131-T2259 HydrophobicContact CB-CG2 4.37Å; R2131-T2259 PolarHBondContact O-OG1 3.06Å; S2135-T2259 PolarHBondContact OG-OG1 2.71Å; S2255-T2259 PolarHBondContact O-N 3.27Å; S2255-T2259 PolarHBondContact O-OG1 3.22Å; I2256-T2259 WeakPolarHBondContact O-CA 3.25Å; I2256-T2259 VanDerWaalsContact O-CB 3.31Å; I2256-T2259 WeakPolarHBondContact O-CB 3.42Å; I2256-T2259 PolarHBondContact O-N 3.34Å; G2257-T2259 PolarHBondContact O-N 3.45Å
2260I75.5Confident71.3Confident14 Ų1449.8 Ų49.87%0.07228%0.281CS..Hα-helixtrans-74.4-44.5171.8-54.2-173.3000110.8F2241 I2256 G2257 I2268 W2282 L2315 W2316F2241-I2260 HydrophobicContact CE2-CD1 4.22Å; I2256-I2260 HydrophobicContact CG2-CD1 4.16Å; I2256-I2260 HydrophobicContact CG2-CG1 4.45Å; I2256-I2260 WeakPolarHBondContact O-CG1 3.39Å; I2256-I2260 PolarHBondContact O-N 3.03Å; I2256-I2260 VanDerWaalsContact O-N 3.1Å; G2257-I2260 WeakPolarHBondContact O-CB 3.49Å; G2257-I2260 PolarHBondContact O-N 3.3Å; I2260-I2268 HydrophobicContact CG2-CD1 3.95Å; I2260-W2282 HydrophobicContact CB-CB 4.28Å; I2260-W2282 HydrophobicContact CD1-CB 4.48Å; I2260-W2282 HydrophobicContact CD1-CE3 4.42Å; I2260-W2282 HydrophobicContact CG2-CB 3.97Å; I2260-L2315 HydrophobicContact CB-CD2 4.43Å; I2260-L2315 HydrophobicContact CD1-CD2 4.1Å; I2260-L2315 HydrophobicContact CD1-CG 4.49Å; I2260-L2315 HydrophobicContact CG1-CD1 4.4Å; I2260-L2315 HydrophobicContact CG1-CD2 3.9Å; I2260-L2315 HydrophobicContact CG2-CD2 4.01Å; I2260-W2316 HydrophobicContact CD1-CH2 4.04Å; I2260-W2316 HydrophobicContact CD1-CZ3 4.23Å; I2260-W2316 HydrophobicContact CG2-CH2 4.47Å; I2260-W2316 HydrophobicContact CG2-CZ2 4.49Å
2261I71.9Confident70.1Confident23 Ų2355.6 Ų55.612%0.11832%0.317CS..Hα-helixtrans-71.5-48.5-172.4-61157.3000112.7G2257 T2270 E2278 W2282G2257-I2261 WeakPolarHBondContact O-CD1 3.42Å; G2257-I2261 VanDerWaalsContact O-CG1 3.29Å; G2257-I2261 WeakPolarHBondContact O-CG1 3.4Å; G2257-I2261 PolarHBondContact O-N 3.11Å; I2261-T2270 HydrophobicContact CG2-CG2 3.77Å; I2261-E2278 WeakPolarHBondContact CD1-O 3.49Å; I2261-W2282 HydrophobicContact CG1-CB 4.49Å
2262N66.7Low69.1Low79 Ų7957.1 Ų57.142%0.42234%0.343SS..SBendtrans-102.96.1-154.8-64-78000115.8R2131 N2258R2131-N2262 PolarHBondContact NH2-O 3.34Å; N2258-N2262 WeakPolarHBondContact O-CB 3.33Å; N2258-N2262 PolarHBondContact O-N 3.45Å; N2258-N2262 PolarHBondContact O-ND2 3.04Å
2263D58.6Low68.3Low28 Ų2857.3 Ų57.315%0.1534%0.343CS..SBendtrans-103.694.5-160.9-128.385.4000116.6Y2121 T2122 S2128 R2131 N2265Y2121-D2263 WeakPolarHBondContact CA-OD2 3.33Å; T2122-D2263 PolarHBondContact N-OD2 3.03Å; T2122-D2263 VanDerWaalsContact N-OD2 3.15Å; T2122-D2263 PolarHBondContact OG1-OD2 3.35Å; S2128-D2263 WeakPolarHBondContact CA-OD1 3.24Å; S2128-D2263 WeakPolarHBondContact CB-OD1 3.44Å; S2128-D2263 VanDerWaalsContact CB-OD2 3.25Å; S2128-D2263 WeakPolarHBondContact CB-OD2 3.4Å; R2131-D2263 IonicContact CZ-OD1 2.65Å; R2131-D2263 VanDerWaalsContact CZ-OD1 3.28Å; R2131-D2263 IonicContact NE-OD1 2.63Å; R2131-D2263 PolarHBondContact NE-OD1 2.84Å; R2131-D2263 IonicContact NH2-OD1 3.34Å; R2131-D2263 PolarHBondContact NH2-OD1 3.05Å; D2263-N2265 PolarHBondContact O-N 3.41Å
2264G52.4Low67.5Low53 Ų5364.2 Ų64.255%0.54638%0.375SS..SBendtrans77.8-46.5153.900000117.1T2122T2122-G2264 VanDerWaalsContact OG1-CA 3.27Å; T2122-G2264 WeakPolarHBondContact OG1-CA 3.49Å
2265N55.6Low66.9Low136 Ų13668.3 Ų68.373%0.72739%0.385SS*.SBendtrans-128.4131.9173.5-71.3-46.7000108.1D2263 R2267D2263-N2265 PolarHBondContact O-N 3.41Å; N2265-R2267 VanDerWaalsContact C-N 3.34Å; N2265-R2267 PolarHBondContact O-N 2.94Å
2266P51.5Low66.2Low96 Ų9670.3 Ų70.362%0.62340%0.399SS*.  trans-70.789.2178.829.7-34.4000110.6I2268 N2269P2266-I2268 PolarHBondContact O-N 3.49Å; P2266-N2269 WeakPolarHBondContact CB-OD1 3.31Å
2267R58.3Low65.7Low147 Ų14772.3 Ų72.356%0.55541%0.41SS*.SBendtrans-65.5-23.9162.2-67.5-176.1178.8170.13.3111.4N2265N2265-R2267 VanDerWaalsContact C-N 3.34Å; N2265-R2267 PolarHBondContact O-N 2.94Å
2268I64.4Low65.4Low18 Ų1876.2 Ų76.29%0.09243%0.428CS..SBendtrans-137.1123.8-179.1-52.9172000106I2260 P2266 T2270 A2281 W2282 P2308I2260-I2268 HydrophobicContact CG2-CD1 3.95Å; P2266-I2268 PolarHBondContact O-N 3.49Å; I2268-T2270 PolarHBondContact O-N 2.95Å; I2268-A2281 HydrophobicContact CG2-CB 4.06Å; I2268-W2282 HydrophobicContact CD1-CB 4.42Å; I2268-P2308 HydrophobicContact CD1-CB 4.21Å; I2268-P2308 HydrophobicContact CD1-CG 4.2Å; I2268-P2308 HydrophobicContact CG1-CB 4.34Å
2269N65.3Low65Low113 Ų11375.6 Ų75.660%0.60443%0.432SS*.  trans-85.8101.9177.2-82.5-22.5000109.9P2266 T2271 M2273P2266-N2269 WeakPolarHBondContact CB-OD1 3.31Å; N2269-T2271 VanDerWaalsContact C-N 3.35Å; N2269-M2273 WeakPolarHBondContact O-CE 3.37Å
2270T65.6Low64.9Low34 Ų3478.1 Ų78.121%0.20944%0.441CS..  trans-85.3-3.8174.650.80000114.2I2261 I2268 G2272 M2273 A2281I2261-T2270 HydrophobicContact CG2-CG2 3.77Å; I2268-T2270 PolarHBondContact O-N 2.95Å; T2270-G2272 PolarHBondContact O-N 2.85Å; T2270-M2273 HydrophobicContact CG2-SD 4.19Å; T2270-M2273 PolarHBondContact O-N 2.9Å; T2270-M2273 VanDerWaalsContact O-N 3.09Å; T2270-A2281 HydrophobicContact CG2-CB 3.94Å
2271T61.1Low64.8Low130 Ų13077.4 Ų77.480%0.79844%0.438SS*.THydrogen-bonded Turntrans-63.699-177.152.20000111.9N2269N2269-T2271 VanDerWaalsContact C-N 3.35Å
2272G63.7Low65.2Low87 Ų8776.7 Ų76.790%0.89743%0.433SS*.THydrogen-bonded Turntrans1122.7-179.700000115.4T2270T2270-G2272 PolarHBondContact O-N 2.85Å
2273M67.9Low66.1Low60 Ų6073.1 Ų73.130%0.29641%0.414SS..  trans-79.7149.5172.8-68.9179-177.600111.8N2269 T2270 D2277 E2278 A2281N2269-M2273 WeakPolarHBondContact O-CE 3.37Å; T2270-M2273 HydrophobicContact CG2-SD 4.19Å; T2270-M2273 PolarHBondContact O-N 2.9Å; T2270-M2273 VanDerWaalsContact O-N 3.09Å; M2273-D2277 HydrophobicContact CB-CB 4.13Å; M2273-D2277 HydrophobicContact CG-CB 4.47Å; M2273-E2278 HydrophobicContact CB-CG 4.17Å; M2273-A2281 HydrophobicContact SD-CB 4.06Å
2274E68.9Low67.2Low145 Ų14571.9 Ų71.968%0.67841%0.407SS*.  trans-74.2161.5164.9-68-155.1126.500110.7S2276 D2277 E2278E2274-S2276 PolarHBondContact O-N 3.26Å; E2274-S2276 VanDerWaalsContact O-N 3.12Å; E2274-D2277 CarbonylContact O-C 3.55Å; E2274-D2277 WeakPolarHBondContact O-CA 3.45Å; E2274-D2277 PolarHBondContact O-N 2.97Å; E2274-E2278 PolarHBondContact O-N 3.24Å
2275K65.7Low68.8Low182 Ų18270.5 Ų70.579%0.79139%0.389SS*.Hα-helixtrans-59.4-25.9-179.7-70-178.6175.9177.90114.2D2277K2275-D2277 VanDerWaalsContact C-N 3.26Å
2276S65.3Low70.2Confident56 Ų5664 Ų6439%0.39236%0.355SS..Hα-helixtrans-65.4-30.7170.941.90000112.7E2274 R2280E2274-S2276 PolarHBondContact O-N 3.26Å; E2274-S2276 VanDerWaalsContact O-N 3.12Å; S2276-R2280 WeakPolarHBondContact O-CD 3.27Å; S2276-R2280 WeakPolarHBondContact O-CG 3.35Å
2277D68.8Low71.8Confident43 Ų4360.9 Ų60.923%0.2333%0.334CS..Hα-helixtrans-101.1-30.1-170.9-52.1-32.5000111.2M2273 E2274 K2275 A2279 R2280 A2281M2273-D2277 HydrophobicContact CB-CB 4.13Å; M2273-D2277 HydrophobicContact CG-CB 4.47Å; E2274-D2277 CarbonylContact O-C 3.55Å; E2274-D2277 WeakPolarHBondContact O-CA 3.45Å; E2274-D2277 PolarHBondContact O-N 2.97Å; K2275-D2277 VanDerWaalsContact C-N 3.26Å; D2277-A2279 PolarHBondContact O-N 3.03Å; D2277-R2280 CarbonylContact O-C 3.52Å; D2277-R2280 WeakPolarHBondContact O-CA 3.19Å; D2277-R2280 PolarHBondContact O-N 3.16Å; D2277-R2280 IonicContact OD1-CZ 3.82Å; D2277-R2280 IonicContact OD1-NH1 3.73Å; D2277-R2280 PolarHBondContact OD1-NH1 3.38Å; D2277-A2281 PolarHBondContact O-N 3.15Å
2278E71.5Confident73Confident83 Ų8353.9 Ų53.939%0.38831%0.307SS..Hα-helixtrans-50.8-43.5161.5-68.7-175.5133.400111.1I2261 M2273 E2274 R2280 A2281I2261-E2278 WeakPolarHBondContact CD1-O 3.49Å; M2273-E2278 HydrophobicContact CB-CG 4.17Å; E2274-E2278 PolarHBondContact O-N 3.24Å; E2278-R2280 VanDerWaalsContact C-N 3.27Å; E2278-R2280 PolarHBondContact O-N 3.36Å; E2278-A2281 WeakPolarHBondContact O-CB 3.48Å; E2278-A2281 PolarHBondContact O-N 2.91Å
2279A69.1Low74Confident55 Ų5556 Ų5646%0.45532%0.319SS..THydrogen-bonded Turntrans-69.3-22.2177.600000114D2277 W2282D2277-A2279 PolarHBondContact O-N 3.03Å; A2279-W2282 PolarHBondContact O-NE1 3.4Å
2280R74.2Confident74.8Confident58 Ų5852.3 Ų52.322%0.21930%0.299CS..THydrogen-bonded Turntrans-95-6.6175.6-65.2163.9169.4154.2-10.3113L2207 Q2236 S2276 D2277 E2278 W2282 F2283L2207-R2280 PolarHBondContact O-NH2 3.43Å; Q2236-R2280 HydrophobicContact CB-CB 4.39Å; S2276-R2280 WeakPolarHBondContact O-CD 3.27Å; S2276-R2280 WeakPolarHBondContact O-CG 3.35Å; D2277-R2280 CarbonylContact O-C 3.52Å; D2277-R2280 WeakPolarHBondContact O-CA 3.19Å; D2277-R2280 PolarHBondContact O-N 3.16Å; D2277-R2280 IonicContact OD1-CZ 3.82Å; D2277-R2280 IonicContact OD1-NH1 3.73Å; D2277-R2280 PolarHBondContact OD1-NH1 3.38Å; E2278-R2280 VanDerWaalsContact C-N 3.27Å; E2278-R2280 PolarHBondContact O-N 3.36Å; R2280-W2282 PolarHBondContact O-N 3.22Å; R2280-F2283 HydrophobicContact CB-CD2 4.24Å; R2280-F2283 HydrophobicContact CB-CE2 4.38Å; R2280-F2283 HydrophobicContact CB-CG 4.36Å; R2280-F2283 HydrophobicContact CG-CD2 4.29Å; R2280-F2283 HydrophobicContact CG-CE2 4.01Å; R2280-F2283 HydrophobicContact CG-CZ 4.28Å; R2280-F2283 VanDerWaalsContact O-CB 3.25Å; R2280-F2283 WeakPolarHBondContact O-CB 3.26Å; R2280-F2283 WeakPolarHBondContact O-CG 3.43Å; R2280-F2283 PolarHBondContact O-N 3.04Å
2281A74.3Confident75.4Confident0 Ų054.5 Ų54.50%031%0.307CS..THydrogen-bonded Turntrans-61.7-21.5-165.700000114.7I2268 T2270 M2273 D2277 E2278I2268-A2281 HydrophobicContact CG2-CB 4.06Å; T2270-A2281 HydrophobicContact CG2-CB 3.94Å; M2273-A2281 HydrophobicContact SD-CB 4.06Å; D2277-A2281 PolarHBondContact O-N 3.15Å; E2278-A2281 WeakPolarHBondContact O-CB 3.48Å; E2278-A2281 PolarHBondContact O-N 2.91Å
2282W81.4Confident76Confident8 Ų853.2 Ų53.23%0.0329%0.292CS..THydrogen-bonded Turntrans-98.57.717863.5-76.2000113.8P2239 F2241 L2252 I2260 I2261 I2268 A2279 R2280P2239-W2282 HydrophobicContact CB-CH2 4.2Å; P2239-W2282 HydrophobicContact CB-CZ3 4.44Å; F2241-W2282 HydrophobicContact CB-CH2 4.35Å; F2241-W2282 HydrophobicContact CB-CZ3 3.93Å; F2241-W2282 HydrophobicContact CD2-CE3 4.44Å; F2241-W2282 HydrophobicContact CD2-CZ3 4.03Å; F2241-W2282 HydrophobicContact CG-CZ3 4.49Å; F2241-W2282 WeakPolarHBondContact O-CH2 3.14Å; L2252-W2282 HydrophobicContact CB-CZ2 4.3Å; L2252-W2282 HydrophobicContact CD2-CH2 4.08Å; L2252-W2282 HydrophobicContact CD2-CZ2 4.15Å; I2260-W2282 HydrophobicContact CB-CB 4.28Å; I2260-W2282 HydrophobicContact CD1-CB 4.48Å; I2260-W2282 HydrophobicContact CD1-CE3 4.42Å; I2260-W2282 HydrophobicContact CG2-CB 3.97Å; I2261-W2282 HydrophobicContact CG1-CB 4.49Å; I2268-W2282 HydrophobicContact CD1-CB 4.42Å; A2279-W2282 PolarHBondContact O-NE1 3.4Å; R2280-W2282 PolarHBondContact O-N 3.22Å
2283F85.1Confident76.2Confident4 Ų450.9 Ų50.92%0.01827%0.268CS..SBendtrans-78.9151.1173.4-70.218.5000110.3W2206 Q2236 I2238 P2239 L2252 R2280W2206-F2283 HydrophobicContact CG-CE2 4.47Å; Q2236-F2283 HydrophobicContact CB-CB 4.3Å; I2238-F2283 WeakPolarHBondContact O-CB 3.42Å; P2239-F2283 HydrophobicContact CB-CD1 3.89Å; P2239-F2283 HydrophobicContact CB-CD2 4.43Å; P2239-F2283 HydrophobicContact CB-CE1 3.78Å; P2239-F2283 HydrophobicContact CB-CE2 4.31Å; P2239-F2283 HydrophobicContact CB-CG 4.23Å; P2239-F2283 HydrophobicContact CB-CZ 4Å; P2239-F2283 HydrophobicContact CG-CE2 4.45Å; P2239-F2283 HydrophobicContact CG-CZ 4.4Å; L2252-F2283 HydrophobicContact CD1-CE1 4.16Å; L2252-F2283 HydrophobicContact CD1-CZ 3.85Å; L2252-F2283 HydrophobicContact CD2-CE1 4.38Å; L2252-F2283 HydrophobicContact CD2-CZ 4.33Å; R2280-F2283 HydrophobicContact CB-CD2 4.24Å; R2280-F2283 HydrophobicContact CB-CE2 4.38Å; R2280-F2283 HydrophobicContact CB-CG 4.36Å; R2280-F2283 HydrophobicContact CG-CD2 4.29Å; R2280-F2283 HydrophobicContact CG-CE2 4.01Å; R2280-F2283 HydrophobicContact CG-CZ 4.28Å; R2280-F2283 VanDerWaalsContact O-CB 3.25Å; R2280-F2283 WeakPolarHBondContact O-CB 3.26Å; R2280-F2283 WeakPolarHBondContact O-CG 3.43Å; R2280-F2283 PolarHBondContact O-N 3.04Å
2284D81.5Confident76.2Confident1 Ų158.4 Ų58.41%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-71.4151.1177.9-65.2-1.2000111.4Q2236 S2237 I2238 E2306 H2307Q2236-D2284 CarbonylContact C-O 3.58Å; Q2236-D2284 WeakPolarHBondContact CA-O 3.28Å; Q2236-D2284 PolarHBondContact N-O 3.45Å; S2237-D2284 PolarHBondContact N-O 3.46Å; I2238-D2284 HydrophobicContact CG2-CB 3.83Å; I2238-D2284 PolarHBondContact N-O 3.06Å; I2238-D2284 PolarHBondContact O-N 2.79Å; D2284-E2306 WeakPolarHBondContact CA-O 3.31Å; D2284-H2307 IonicContact OD1-CE1 2.78Å; D2284-H2307 IonicContact OD1-CG 2.72Å; D2284-H2307 IonicContact OD1-ND1 3.23Å; D2284-H2307 PolarHBondContact OD1-ND1 3.13Å; D2284-H2307 IonicContact OD2-CE1 3.8Å; D2284-H2307 PolarHBondContact OD2-CE1 2.94Å; D2284-H2307 IonicContact OD2-ND1 2.74Å; D2284-H2307 PolarHBondContact OD2-ND1 3.26Å
2285S84.8Confident75.9Confident24 Ų2453.7 Ų53.717%0.16828%0.282CS..EExtended strand (participates in β ladder)trans-86.9127.3169.3-590000109.5S2305 E2306S2285-S2305 CarbonylContact O-C 3.53Å; S2285-S2305 WeakPolarHBondContact O-CA 3.47Å; S2285-E2306 PolarHBondContact N-O 3.38Å; S2285-E2306 PolarHBondContact O-N 2.89Å
2286L85Confident75.9Confident0 Ų052.4 Ų52.40%028%0.279CS..EExtended strand (participates in β ladder)trans-92.9135.2179-167.993.2000109.9I2079 F2182 I2234 S2237 L2288 A2303 L2330I2079-L2286 HydrophobicContact CD1-CD1 3.85Å; I2079-L2286 HydrophobicContact CD1-CD2 3.83Å; I2079-L2286 HydrophobicContact CG2-CD2 3.93Å; F2182-L2286 HydrophobicContact CE1-CD2 4.02Å; F2182-L2286 HydrophobicContact CZ-CD2 3.83Å; I2234-L2286 PolarHBondContact N-O 2.99Å; I2234-L2286 PolarHBondContact O-N 3.48Å; S2237-L2286 VanDerWaalsContact OG-CB 3.22Å; S2237-L2286 WeakPolarHBondContact OG-CB 3.35Å; S2237-L2286 PolarHBondContact OG-N 2.93Å; L2286-L2288 HydrophobicContact CD2-CD1 3.99Å; L2286-L2288 HydrophobicContact CD2-CD2 4.22Å; L2286-L2288 HydrophobicContact CD2-CG 3.78Å; L2286-A2303 HydrophobicContact CD1-CB 4.39Å; L2286-L2330 HydrophobicContact CD1-CD2 4.46Å
2287T85.9Confident75.8Confident30 Ų3056.2 Ų56.218%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-115.2125.4170.446.80000109.6I2232 L2233 A2303 T2304I2232-T2287 CarbonylContact O-C 3.57Å; I2232-T2287 WeakPolarHBondContact O-CA 3.44Å; L2233-T2287 HydrophobicContact CB-CG2 4.44Å; L2233-T2287 HydrophobicContact CD1-CG2 3.56Å; T2287-A2303 WeakPolarHBondContact O-CA 3.32Å; T2287-T2304 PolarHBondContact N-O 3.48Å; T2287-T2304 PolarHBondContact O-N 2.71Å; T2287-T2304 PolarHBondContact OG1-O 3.11Å; T2287-T2304 PolarHBondContact OG1-OG1 3.19Å
2288L83.9Confident75.9Confident0 Ų057.5 Ų57.50%030%0.3CS..EExtended strand (participates in β ladder)trans-112.9124176.7-75.4171.7000110.4I2079 L2087 F2182 I2232 L2286 W2301 I2302 A2303I2079-L2288 HydrophobicContact CG2-CD1 4.22Å; L2087-L2288 HydrophobicContact CD1-CD1 3.75Å; F2182-L2288 HydrophobicContact CE2-CD1 3.95Å; F2182-L2288 HydrophobicContact CZ-CD1 3.76Å; I2232-L2288 HydrophobicContact CB-CB 4.18Å; I2232-L2288 PolarHBondContact N-O 3.21Å; I2232-L2288 PolarHBondContact O-N 3.12Å; L2286-L2288 HydrophobicContact CD2-CD1 3.99Å; L2286-L2288 HydrophobicContact CD2-CD2 4.22Å; L2286-L2288 HydrophobicContact CD2-CG 3.78Å; L2288-W2301 HydrophobicContact CB-CE3 3.99Å; L2288-W2301 HydrophobicContact CB-CZ3 4.29Å; L2288-W2301 HydrophobicContact CD2-CB 4.39Å; L2288-I2302 WeakPolarHBondContact CA-O 3.41Å; L2288-A2303 HydrophobicContact CD2-CB 3.79Å
2289N84.8Confident76.1Confident63 Ų6354.7 Ų54.734%0.33729%0.286SS..EExtended strand (participates in β ladder)trans-111.3142.9169.9-78.9-49.8000110.2P2231 W2301 I2302P2231-N2289 WeakPolarHBondContact CA-OD1 3.19Å; P2231-N2289 WeakPolarHBondContact CB-OD1 3.4Å; N2289-W2301 CarbonylContact O-C 3.58Å; N2289-W2301 WeakPolarHBondContact O-CA 3.42Å; N2289-I2302 HydrophobicContact CB-CB 4.47Å; N2289-I2302 PolarHBondContact N-O 3.33Å; N2289-I2302 PolarHBondContact O-N 2.85Å
2290L82.8Confident76.8Confident36 Ų3654 Ų5419%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-99.5116.3172.2179.365.1000109.1A2223 K2299 W2301A2223-L2290 VanDerWaalsContact O-CD2 3.25Å; A2223-L2290 WeakPolarHBondContact O-CD2 3.3Å; L2290-K2299 HydrophobicContact CD1-CB 4.1Å; L2290-W2301 HydrophobicContact CB-CD2 4.38Å; L2290-W2301 HydrophobicContact CB-CE3 3.99Å; L2290-W2301 HydrophobicContact CB-CH2 4.03Å; L2290-W2301 HydrophobicContact CB-CZ2 4.4Å; L2290-W2301 HydrophobicContact CB-CZ3 3.81Å; L2290-W2301 HydrophobicContact CD1-CD2 4.11Å; L2290-W2301 HydrophobicContact CD1-CG 4.48Å; L2290-W2301 HydrophobicContact CD1-CZ2 4.16Å; L2290-W2301 HydrophobicContact CD2-CZ2 4.49Å
2291E77.8Confident77.3Confident79 Ų7951.2 Ų51.237%0.36926%0.263SS..EExtended strand (participates in β ladder)trans-101.2140.9164.8-75.3-177.9147.200110M2300 I2302 R2327E2291-M2300 HydrophobicContact CB-CG 3.98Å; E2291-M2300 PolarHBondContact N-O 2.96Å; E2291-M2300 PolarHBondContact O-N 2.98Å; E2291-I2302 HydrophobicContact CB-CD1 3.7Å; E2291-I2302 HydrophobicContact CG-CD1 3.56Å; E2291-I2302 VanDerWaalsContact OE2-CD1 3.22Å; E2291-I2302 WeakPolarHBondContact OE2-CD1 3.43Å; E2291-R2327 IonicContact OE1-CZ 2.74Å; E2291-R2327 IonicContact OE1-NH1 2.7Å; E2291-R2327 IonicContact OE1-NH2 3.77Å; E2291-R2327 PolarHBondContact OE1-NH2 3.01Å; E2291-R2327 IonicContact OE2-CZ 3.04Å; E2291-R2327 IonicContact OE2-NH1 2.7Å; E2291-R2327 PolarHBondContact OE2-NH1 3.13Å; E2291-R2327 IonicContact OE2-NH2 3.15Å; E2291-R2327 PolarHBondContact OE2-NH2 3.49Å
2292Q72.8Confident77.9Confident103 Ų10351.4 Ų51.448%0.48126%0.264SS..EExtended strand (participates in β ladder)trans-116.7127.2-179.1-173.2171.9-26.700109.3E2298Q2292-E2298 WeakPolarHBondContact CA-O 3.49Å
2293G68.5Low78Confident39 Ų3951 Ų5140%0.40226%0.263SS..  trans-76.4-163.4179.800000113.5E2298G2293-E2298 WeakPolarHBondContact CA-OE2 3.43Å; G2293-E2298 PolarHBondContact N-O 3.27Å
2294K68.5Low77.9Confident217 Ų21752.2 Ų52.294%0.94327%0.271SS*.SBendtrans-75.7-27.9-179.6-67.6178.7-179.3174.40111.7E2298K2294-E2298 PolarHBondContact N-OE2 3.02Å
2295S63.4Low77.9Confident46 Ų4654 Ų5432%0.32228%0.283SS..SBendtrans-89.4146.4171.4-175.10000111.8N2297 E2298S2295-N2297 PolarHBondContact O-N 3.13Å; S2295-N2297 VanDerWaalsContact O-N 3.08Å; S2295-N2297 PolarHBondContact OG-N 3.3Å; S2295-E2298 WeakPolarHBondContact CB-OE1 3.4Å; S2295-E2298 PolarHBondContact N-OE2 3.09Å; S2295-E2298 PolarHBondContact O-N 3.44Å; S2295-E2298 VanDerWaalsContact O-N 3.08Å
2296Q63.8Low77.6Confident156 Ų15657.2 Ų57.273%0.72930%0.295SS*.THydrogen-bonded Turntrans-61.1-17.5171.7-67-171.9-3.200113.1K2299Q2296-K2299 PolarHBondContact O-NZ 2.66Å
2297N64.5Low77.3Confident136 Ų13658.9 Ų58.973%0.72730%0.303SS*.THydrogen-bonded Turntrans-93.5-14.6178.5-63-10.7000113.2S2295 K2299S2295-N2297 PolarHBondContact O-N 3.13Å; S2295-N2297 VanDerWaalsContact O-N 3.08Å; S2295-N2297 PolarHBondContact OG-N 3.3Å; N2297-K2299 PolarHBondContact O-N 3.42Å; N2297-K2299 VanDerWaalsContact O-N 3.11Å
2298E70.7Confident76.7Confident70 Ų7058.6 Ų58.633%0.32730%0.302SS..  trans-80.391176.7-74.3153.9-150.600109.2Q2292 G2293 K2294 S2295Q2292-E2298 WeakPolarHBondContact CA-O 3.49Å; G2293-E2298 WeakPolarHBondContact CA-OE2 3.43Å; G2293-E2298 PolarHBondContact N-O 3.27Å; K2294-E2298 PolarHBondContact N-OE2 3.02Å; S2295-E2298 WeakPolarHBondContact CB-OE1 3.4Å; S2295-E2298 PolarHBondContact N-OE2 3.09Å; S2295-E2298 PolarHBondContact O-N 3.44Å; S2295-E2298 VanDerWaalsContact O-N 3.08Å
2299K76.2Confident76Confident24 Ų2460.8 Ų60.810%0.10432%0.324CS..EExtended strand (participates in β ladder)trans-122.7118.6175.8-69-170.7-173.481.40109.4W2160 L2290 Q2296 N2297W2160-K2299 HydrophobicContact CE3-CB 4.48Å; W2160-K2299 HydrophobicContact CE3-CD 4.31Å; W2160-K2299 PolarHBondContact N-O 3.36Å; L2290-K2299 HydrophobicContact CD1-CB 4.1Å; Q2296-K2299 PolarHBondContact O-NZ 2.66Å; N2297-K2299 PolarHBondContact O-N 3.42Å; N2297-K2299 VanDerWaalsContact O-N 3.11Å
2300M82.3Confident75.2Confident39 Ų3962.3 Ų62.319%0.19233%0.332CS..EExtended strand (participates in β ladder)trans-123.3137.218061.2-173-72.900110.4E2155 Y2159 E2291 I2302E2155-M2300 HydrophobicContact CB-CE 3.74Å; E2155-M2300 HydrophobicContact CG-CE 3.69Å; Y2159-M2300 HydrophobicContact CD1-CB 4.15Å; Y2159-M2300 HydrophobicContact CE1-CB 4.33Å; E2291-M2300 HydrophobicContact CB-CG 3.98Å; E2291-M2300 PolarHBondContact N-O 2.96Å; E2291-M2300 PolarHBondContact O-N 2.98Å; M2300-I2302 HydrophobicContact CE-CD1 4.46Å; M2300-I2302 HydrophobicContact CG-CD1 4.4Å
2301W85.7Confident74.1Confident1 Ų166.4 Ų66.40%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-96.3138.4171.8-66.391.2000110.3L2087 S2156 W2160 A2223 L2224 I2232 L2288 N2289 L2290L2087-W2301 HydrophobicContact CB-CD2 4.31Å; L2087-W2301 HydrophobicContact CB-CG 4.03Å; L2087-W2301 HydrophobicContact CD2-CZ2 4.02Å; L2087-W2301 WeakPolarHBondContact O-CB 3.45Å; S2156-W2301 WeakPolarHBondContact CB-O 3.4Å; S2156-W2301 PolarHBondContact N-O 2.78Å; W2160-W2301 AromaticContact CD2-NE1 3.29Å; W2160-W2301 VanDerWaalsContact CD2-NE1 3.29Å; W2160-W2301 AromaticContact CE2-NE1 3.8Å; W2160-W2301 HydrophobicContact CE3-CZ2 4.31Å; W2160-W2301 AromaticContact CE3-NE1 3.43Å; W2160-W2301 AromaticContact CG-CD1 3.87Å; W2160-W2301 AromaticContact CG-NE1 3.51Å; W2160-W2301 HydrophobicContact CH2-CZ2 4.25Å; W2160-W2301 HydrophobicContact CZ3-CZ2 4.09Å; A2223-W2301 HydrophobicContact CB-CH2 4.48Å; L2224-W2301 HydrophobicContact CD2-CH2 4.38Å; L2224-W2301 HydrophobicContact CD2-CZ2 4.08Å; I2232-W2301 HydrophobicContact CD1-CH2 3.69Å; I2232-W2301 HydrophobicContact CD1-CZ3 3.68Å; L2288-W2301 HydrophobicContact CB-CE3 3.99Å; L2288-W2301 HydrophobicContact CB-CZ3 4.29Å; L2288-W2301 HydrophobicContact CD2-CB 4.39Å; N2289-W2301 CarbonylContact O-C 3.58Å; N2289-W2301 WeakPolarHBondContact O-CA 3.42Å; L2290-W2301 HydrophobicContact CB-CD2 4.38Å; L2290-W2301 HydrophobicContact CB-CE3 3.99Å; L2290-W2301 HydrophobicContact CB-CH2 4.03Å; L2290-W2301 HydrophobicContact CB-CZ2 4.4Å; L2290-W2301 HydrophobicContact CB-CZ3 3.81Å; L2290-W2301 HydrophobicContact CD1-CD2 4.11Å; L2290-W2301 HydrophobicContact CD1-CG 4.48Å; L2290-W2301 HydrophobicContact CD1-CZ2 4.16Å; L2290-W2301 HydrophobicContact CD2-CZ2 4.49Å
2302I85.9Confident73.2Confident4 Ų468.4 Ų68.42%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-109.5124.7173.6-62.196.2000107.8P2154 E2155 L2288 N2289 E2291 M2300P2154-I2302 HydrophobicContact CB-CG2 4.34Å; P2154-I2302 CarbonylContact O-C 3.39Å; P2154-I2302 WeakPolarHBondContact O-CA 3.44Å; P2154-I2302 WeakPolarHBondContact O-CG2 3.44Å; E2155-I2302 HydrophobicContact CG-CG1 3.85Å; L2288-I2302 WeakPolarHBondContact CA-O 3.41Å; N2289-I2302 HydrophobicContact CB-CB 4.47Å; N2289-I2302 PolarHBondContact N-O 3.33Å; N2289-I2302 PolarHBondContact O-N 2.85Å; E2291-I2302 HydrophobicContact CB-CD1 3.7Å; E2291-I2302 HydrophobicContact CG-CD1 3.56Å; E2291-I2302 VanDerWaalsContact OE2-CD1 3.22Å; E2291-I2302 WeakPolarHBondContact OE2-CD1 3.43Å; M2300-I2302 HydrophobicContact CE-CD1 4.46Å; M2300-I2302 HydrophobicContact CG-CD1 4.4Å
2303A84.8Confident72.7Confident0 Ų064.3 Ų64.30%035%0.348CS..EExtended strand (participates in β ladder)trans-109.1125.6179.600000110.8I2079 Y2088 P2154 L2286 T2287 L2288 L2330I2079-A2303 HydrophobicContact CD1-CB 4.48Å; Y2088-A2303 HydrophobicContact CD1-CB 4.41Å; Y2088-A2303 HydrophobicContact CD2-CB 3.65Å; Y2088-A2303 HydrophobicContact CE1-CB 4.5Å; Y2088-A2303 HydrophobicContact CE2-CB 3.74Å; Y2088-A2303 HydrophobicContact CG-CB 4Å; P2154-A2303 PolarHBondContact O-N 3.29Å; L2286-A2303 HydrophobicContact CD1-CB 4.39Å; T2287-A2303 WeakPolarHBondContact O-CA 3.32Å; L2288-A2303 HydrophobicContact CD2-CB 3.79Å; A2303-L2330 HydrophobicContact CB-CD2 4.41Å
2304T82.4Confident72.6Confident29 Ų2969.2 Ų69.218%0.17836%0.358CS..EExtended strand (participates in β ladder)trans-130134.9173.334.80000110.3T2287 P2328T2287-T2304 PolarHBondContact N-O 3.48Å; T2287-T2304 PolarHBondContact O-N 2.71Å; T2287-T2304 PolarHBondContact OG1-O 3.11Å; T2287-T2304 PolarHBondContact OG1-OG1 3.19Å; T2304-P2328 HydrophobicContact CG2-CG 4.15Å
2305S80.5Confident72.7Confident37 Ų3759.4 Ų59.426%0.25932%0.316SS..EExtended strand (participates in β ladder)trans-100.1152.5176.461.90000112.9S2285 L2330S2285-S2305 CarbonylContact O-C 3.53Å; S2285-S2305 WeakPolarHBondContact O-CA 3.47Å; S2305-L2330 VanDerWaalsContact CB-CD1 3.47Å; S2305-L2330 VanDerWaalsContact OG-CD1 3.27Å; S2305-L2330 WeakPolarHBondContact OG-CD1 3.33Å
2306E78.9Confident73.4Confident92 Ų9258 Ų5843%0.4330%0.304SS..EExtended strand (participates in β ladder)trans-129.9121.6171.3179.6164.9-145.600110.2D2284 S2285 Q2311D2284-E2306 WeakPolarHBondContact CA-O 3.31Å; S2285-E2306 PolarHBondContact N-O 3.38Å; S2285-E2306 PolarHBondContact O-N 2.89Å; E2306-Q2311 PolarHBondContact OE1-NE2 3.43Å
2307H79.3Confident73.8Confident35 Ų3551.3 Ų51.316%0.16227%0.272CS..  trans-65.8141.5176.6-65.4-43.1000111.5D2284 G2309 W2316D2284-H2307 IonicContact OD1-CE1 2.78Å; D2284-H2307 IonicContact OD1-CG 2.72Å; D2284-H2307 IonicContact OD1-ND1 3.23Å; D2284-H2307 PolarHBondContact OD1-ND1 3.13Å; D2284-H2307 IonicContact OD2-CE1 3.8Å; D2284-H2307 PolarHBondContact OD2-CE1 2.94Å; D2284-H2307 IonicContact OD2-ND1 2.74Å; D2284-H2307 PolarHBondContact OD2-ND1 3.26Å; H2307-G2309 PolarHBondContact O-N 3.07Å; H2307-W2316 HydrophobicContact CB-CD2 4.01Å; H2307-W2316 HydrophobicContact CB-CG 4.17Å; H2307-W2316 HydrophobicContact CB-CZ2 4.26Å; H2307-W2316 AromaticContact CD2-CG 3.7Å; H2307-W2316 AromaticContact CG-CD2 3.86Å; H2307-W2316 AromaticContact CG-CG 3.96Å
2308P72.8Confident73.9Confident24 Ų2452.6 Ų52.616%0.15627%0.271CS..SBendtrans-71124179.227.2-32.2000112.1I2268 W2316I2268-P2308 HydrophobicContact CD1-CB 4.21Å; I2268-P2308 HydrophobicContact CD1-CG 4.2Å; I2268-P2308 HydrophobicContact CG1-CB 4.34Å; P2308-W2316 HydrophobicContact CG-CH2 4.25Å; P2308-W2316 HydrophobicContact CG-CZ2 4Å
2309G70.3Confident73.5Confident46 Ų4651.7 Ų51.747%0.47427%0.271SS..SBendtrans105.2-145.8176.200000113.5H2307 Q2311H2307-G2309 PolarHBondContact O-N 3.07Å; G2309-Q2311 PolarHBondContact O-N 2.97Å
2310D66.6Low72.7Confident95 Ų9552.9 Ų52.951%0.50829%0.285SS..  trans-79114.6177.4176.415.1000111N2312 A2313D2310-N2312 PolarHBondContact O-N 3.22Å; D2310-N2312 VanDerWaalsContact O-N 3.08Å; D2310-N2312 VanDerWaalsContact OD1-CB 3.32Å; D2310-N2312 WeakPolarHBondContact OD1-CB 3.5Å; D2310-N2312 PolarHBondContact OD1-N 2.99Å; D2310-N2312 PolarHBondContact OD1-ND2 2.81Å; D2310-A2313 VanDerWaalsContact O-CB 3.27Å; D2310-A2313 WeakPolarHBondContact O-CB 3.33Å; D2310-A2313 PolarHBondContact O-N 3.43Å
2311Q60.9Low71.4Confident123 Ų12358.7 Ų58.758%0.57532%0.317SS*.THydrogen-bonded Turntrans-57.2-20.4176.1-59.5-177.4600113.3E2306 G2309E2306-Q2311 PolarHBondContact OE1-NE2 3.43Å; G2309-Q2311 PolarHBondContact O-N 2.97Å
2312N58.5Low69.9Low120 Ų12062.3 Ų62.364%0.64234%0.339SS*.THydrogen-bonded Turntrans-84.8-5.4178.5-58.8-82.8000114D2310 K2314D2310-N2312 PolarHBondContact O-N 3.22Å; D2310-N2312 VanDerWaalsContact O-N 3.08Å; D2310-N2312 VanDerWaalsContact OD1-CB 3.32Å; D2310-N2312 WeakPolarHBondContact OD1-CB 3.5Å; D2310-N2312 PolarHBondContact OD1-N 2.99Å; D2310-N2312 PolarHBondContact OD1-ND2 2.81Å; N2312-K2314 PolarHBondContact O-N 3.11Å
2313A63.3Low68.6Low18 Ų1866.2 Ų66.215%0.14936%0.363CS..  trans-64.2125.5-178.200000111.7D2310 L2315 W2316D2310-A2313 VanDerWaalsContact O-CB 3.27Å; D2310-A2313 WeakPolarHBondContact O-CB 3.33Å; D2310-A2313 PolarHBondContact O-N 3.43Å; A2313-L2315 PolarHBondContact O-N 3.47Å; A2313-W2316 PolarHBondContact O-N 2.82Å; A2313-W2316 VanDerWaalsContact O-N 3.09Å
2314K65.5Low67.6Low142 Ų14270.4 Ų70.462%0.61738%0.38SS*.THydrogen-bonded Turntrans-55.5-6.6176.7-65.1-174.3176.8-176.10115.8A2116 N2312A2116-K2314 HydrophobicContact CB-CB 4.18Å; A2116-K2314 WeakPolarHBondContact CB-O 3.43Å; N2312-K2314 PolarHBondContact O-N 3.11Å
2315L71.3Confident66.7Low10 Ų1073 Ų735%0.05240%0.399CS..THydrogen-bonded Turntrans-72-32.3176.5-179.967.8000112.2L2117 I2260 A2313L2117-L2315 HydrophobicContact CD2-CD1 3.88Å; L2117-L2315 HydrophobicContact CG-CD1 4.46Å; I2260-L2315 HydrophobicContact CB-CD2 4.43Å; I2260-L2315 HydrophobicContact CD1-CD2 4.1Å; I2260-L2315 HydrophobicContact CD1-CG 4.49Å; I2260-L2315 HydrophobicContact CG1-CD1 4.4Å; I2260-L2315 HydrophobicContact CG1-CD2 3.9Å; I2260-L2315 HydrophobicContact CG2-CD2 4.01Å; A2313-L2315 PolarHBondContact O-N 3.47Å
2316W76.5Confident66Low18 Ų1874.3 Ų74.37%0.06842%0.418CS..SBendtrans-93.5138.4-179-54.8123000110.8A2240 F2241 I2260 H2307 P2308 A2313 K2318A2240-W2316 HydrophobicContact CB-CE3 4.46Å; A2240-W2316 HydrophobicContact CB-CZ3 3.95Å; F2241-W2316 HydrophobicContact CD2-CZ3 4.42Å; F2241-W2316 HydrophobicContact CE2-CE3 4.08Å; F2241-W2316 AromaticContact CE2-CZ3 3.82Å; F2241-W2316 HydrophobicContact CE2-CZ3 3.82Å; I2260-W2316 HydrophobicContact CD1-CH2 4.04Å; I2260-W2316 HydrophobicContact CD1-CZ3 4.23Å; I2260-W2316 HydrophobicContact CG2-CH2 4.47Å; I2260-W2316 HydrophobicContact CG2-CZ2 4.49Å; H2307-W2316 HydrophobicContact CB-CD2 4.01Å; H2307-W2316 HydrophobicContact CB-CG 4.17Å; H2307-W2316 HydrophobicContact CB-CZ2 4.26Å; H2307-W2316 AromaticContact CD2-CG 3.7Å; H2307-W2316 AromaticContact CG-CD2 3.86Å; H2307-W2316 AromaticContact CG-CG 3.96Å; P2308-W2316 HydrophobicContact CG-CH2 4.25Å; P2308-W2316 HydrophobicContact CG-CZ2 4Å; A2313-W2316 PolarHBondContact O-N 2.82Å; A2313-W2316 VanDerWaalsContact O-N 3.09Å; W2316-K2318 PolarHBondContact O-N 3.42Å
2317I73.2Confident65.6Low14 Ų1472.9 Ų72.97%0.07241%0.409CS..  trans-79.2104179.9-56.4-174.7000109I2105 I2149 T2319 Q2331 V2333I2105-I2317 HydrophobicContact CD1-CD1 3.77Å; I2149-I2317 HydrophobicContact CD1-CG2 4.34Å; I2317-T2319 PolarHBondContact O-N 3.25Å; I2317-T2319 VanDerWaalsContact O-N 3.16Å; I2317-Q2331 PolarHBondContact O-NE2 2.87Å; I2317-V2333 HydrophobicContact CD1-CG2 3.89Å
2318K66.6Low65.3Low163 Ų16374.5 Ų74.571%0.70942%0.422SS*.PPolyproline II helixtrans-48.3120.2179.6-66.1-167.9175.4-164.10112.2W2316W2316-K2318 PolarHBondContact O-N 3.42Å
2319T62.6Low65.5Low52 Ų5275.3 Ų75.332%0.31942%0.423SS..PPolyproline II helixtrans-55.6138170.1-44.50000109.9I2317I2317-T2319 PolarHBondContact O-N 3.25Å; I2317-T2319 VanDerWaalsContact O-N 3.16Å
2320A59Low66.1Low48 Ų4873.2 Ų73.240%0.39740%0.4SS..PPolyproline II helixtrans-71.4154.1-179.900000111.8T2322A2320-T2322 PolarHBondContact O-N 3.15Å
2321N55.5Low66.9Low161 Ų16169.2 Ų69.286%0.86138%0.379SS*.SBendtrans-63.5-0.6178.1-76.515.5000114.7T2323N2321-T2323 VanDerWaalsContact C-N 3.34Å; N2321-T2323 PolarHBondContact O-N 3.5Å
2322T54.8Low68.1Low77 Ų7763.4 Ų63.447%0.47235%0.352SS..  trans-64.392.2166.648.90000109.3A2320 Y2329A2320-T2322 PolarHBondContact O-N 3.15Å; T2322-Y2329 WeakPolarHBondContact O-CD2 3.37Å; T2322-Y2329 VanDerWaalsContact O-CE2 3.24Å; T2322-Y2329 WeakPolarHBondContact O-CE2 3.43Å
2323T57.7Low69.6Low86 Ų8658 Ų5853%0.52832%0.323SS..  trans-90.6137.917149.60000109.8N2321 R2327N2321-T2323 VanDerWaalsContact C-N 3.34Å; N2321-T2323 PolarHBondContact O-N 3.5Å; T2323-R2327 WeakPolarHBondContact CA-O 3.4Å; T2323-R2327 WeakPolarHBondContact CB-O 3.25Å
2324Y63.1Low70.7Confident89 Ų8957.1 Ų57.135%0.34932%0.316SS..BIsolated β-bridgetrans-101.1123.2171-174.8-87.9000107.2P2154 E2155 G2326 R2327P2154-Y2324 HydrophobicContact CG-CD1 4.26Å; E2155-Y2324 WeakPolarHBondContact OE2-CE1 3.37Å; Y2324-G2326 PolarHBondContact O-N 3.48Å; Y2324-G2326 VanDerWaalsContact O-N 3.15Å; Y2324-R2327 PolarHBondContact N-O 2.81Å; Y2324-R2327 WeakPolarHBondContact O-CA 3.32Å; Y2324-R2327 WeakPolarHBondContact O-CB 3.43Å; Y2324-R2327 PolarHBondContact O-N 2.97Å
2325S63.7Low71.9Confident83 Ų8350.4 Ų50.458%0.5829%0.286SS*.THydrogen-bonded Turntrans55.630.9-175.4-153.80000113.4E2155 R2327E2155-S2325 WeakPolarHBondContact OE1-CB 3.46Å; E2155-S2325 PolarHBondContact OE1-OG 3.08Å; E2155-S2325 VanDerWaalsContact OE1-OG 3.06Å; S2325-R2327 PolarHBondContact O-N 3.04Å
2326G65.4Low72.6Confident64 Ų6450.1 Ų50.166%0.6629%0.285SS*.THydrogen-bonded Turntrans70.23.8-173.700000115.3Y2324Y2324-G2326 PolarHBondContact O-N 3.48Å; Y2324-G2326 VanDerWaalsContact O-N 3.15Å
2327R71.4Confident72.9Confident63 Ų6351 Ų5124%0.23829%0.291CS..BIsolated β-bridgetrans-102.5148.6-178.1-64.4158.7173.8169.5-7.2110.6P2154 E2155 E2291 T2323 Y2324 S2325P2154-R2327 HydrophobicContact CB-CB 3.96Å; P2154-R2327 HydrophobicContact CG-CB 3.65Å; E2155-R2327 IonicContact OE1-CZ 3.3Å; E2155-R2327 IonicContact OE1-NH1 3.09Å; E2155-R2327 PolarHBondContact OE1-NH1 3.39Å; E2291-R2327 IonicContact OE1-CZ 2.74Å; E2291-R2327 IonicContact OE1-NH1 2.7Å; E2291-R2327 IonicContact OE1-NH2 3.77Å; E2291-R2327 PolarHBondContact OE1-NH2 3.01Å; E2291-R2327 IonicContact OE2-CZ 3.04Å; E2291-R2327 IonicContact OE2-NH1 2.7Å; E2291-R2327 PolarHBondContact OE2-NH1 3.13Å; E2291-R2327 IonicContact OE2-NH2 3.15Å; E2291-R2327 PolarHBondContact OE2-NH2 3.49Å; T2323-R2327 WeakPolarHBondContact CA-O 3.4Å; T2323-R2327 WeakPolarHBondContact CB-O 3.25Å; Y2324-R2327 PolarHBondContact N-O 2.81Å; Y2324-R2327 WeakPolarHBondContact O-CA 3.32Å; Y2324-R2327 WeakPolarHBondContact O-CB 3.43Å; Y2324-R2327 PolarHBondContact O-N 2.97Å; S2325-R2327 PolarHBondContact O-N 3.04Å
2328P72.3Confident73.1Confident68 Ų6854.9 Ų54.944%0.44231%0.305SS..PPolyproline II helixtrans-73.8150.9176.231.3-34.6000111.5P2154 T2304P2154-P2328 WeakPolarHBondContact CB-O 3.39Å; T2304-P2328 HydrophobicContact CG2-CG 4.15Å
2329Y78.1Confident73.1Confident42 Ų4247.5 Ų47.517%0.16527%0.274CS..PPolyproline II helixtrans-74.5147.2171.4-77.4-107.1000111.5R2151 F2152 R2153 T2322R2151-Y2329 HydrophobicContact CB-CD1 3.87Å; R2151-Y2329 HydrophobicContact CB-CG 4.35Å; F2152-Y2329 WeakPolarHBondContact O-CD1 3.25Å; R2153-Y2329 HydrophobicContact CB-CE1 4.5Å; R2153-Y2329 HydrophobicContact CG-CE1 3.95Å; T2322-Y2329 WeakPolarHBondContact O-CD2 3.37Å; T2322-Y2329 VanDerWaalsContact O-CE2 3.24Å; T2322-Y2329 WeakPolarHBondContact O-CE2 3.43Å
2330L82.2Confident73.1Confident1 Ų149.7 Ų49.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-81.2117.8170.8173.157.9000108.9L2077 Y2088 F2152 I2238 L2286 A2303 S2305L2077-L2330 HydrophobicContact CD2-CD2 3.53Å; L2077-L2330 HydrophobicContact CD2-CG 4.29Å; Y2088-L2330 HydrophobicContact CE1-CD2 4.42Å; F2152-L2330 HydrophobicContact CB-CB 4.18Å; F2152-L2330 HydrophobicContact CB-CG 4.43Å; F2152-L2330 HydrophobicContact CD2-CG 4.33Å; F2152-L2330 PolarHBondContact N-O 2.77Å; F2152-L2330 PolarHBondContact O-N 3.49Å; I2238-L2330 HydrophobicContact CD1-CD1 4.35Å; L2286-L2330 HydrophobicContact CD1-CD2 4.46Å; A2303-L2330 HydrophobicContact CB-CD2 4.41Å; S2305-L2330 VanDerWaalsContact CB-CD1 3.47Å; S2305-L2330 VanDerWaalsContact OG-CD1 3.27Å; S2305-L2330 WeakPolarHBondContact OG-CD1 3.33Å
2331Q83.6Confident73.2Confident11 Ų1149.8 Ų49.85%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-119.2134.6-165.3-170.1-178.4-105.600112.8I2149 V2150 R2151 I2317I2149-Q2331 HydrophobicContact CG2-CG 3.64Å; V2150-Q2331 WeakPolarHBondContact O-CA 3.24Å; R2151-Q2331 HydrophobicContact CG-CG 4.43Å; I2317-Q2331 PolarHBondContact O-NE2 2.87Å
2332V86.9Confident73.3Confident2 Ų244.2 Ų44.21%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-133.4140.1178.1176.90000110.2V2150 F2152 L2186 I2238 I2242V2150-V2332 PolarHBondContact N-O 3.38Å; V2150-V2332 PolarHBondContact O-N 3.15Å; F2152-V2332 HydrophobicContact CE2-CB 4.31Å; F2152-V2332 HydrophobicContact CE2-CG2 3.97Å; L2186-V2332 HydrophobicContact CD2-CG1 4.47Å; I2238-V2332 HydrophobicContact CD1-CG2 4.04Å; I2238-V2332 HydrophobicContact CG1-CG2 4.48Å; I2242-V2332 HydrophobicContact CD1-CG1 3.54Å; I2242-V2332 HydrophobicContact CG1-CG1 4.01Å
2333V88.2Confident73.3Confident6 Ų645.2 Ų45.24%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-106121179.5-174.70000110.6I2147 L2148 A2240 F2241 I2242 I2317I2147-V2333 HydrophobicContact CG2-CG1 3.94Å; L2148-V2333 CarbonylContact O-C 3.42Å; L2148-V2333 WeakPolarHBondContact O-CA 3.49Å; A2240-V2333 WeakPolarHBondContact O-CB 3.34Å; A2240-V2333 PolarHBondContact O-N 2.98Å; F2241-V2333 CarbonylContact C-O 3.59Å; F2241-V2333 WeakPolarHBondContact CA-O 3.47Å; F2241-V2333 HydrophobicContact CD1-CB 3.79Å; F2241-V2333 HydrophobicContact CD1-CG1 4.06Å; F2241-V2333 HydrophobicContact CD1-CG2 4.22Å; F2241-V2333 HydrophobicContact CE1-CB 4.21Å; F2241-V2333 HydrophobicContact CE1-CG1 4.37Å; F2241-V2333 HydrophobicContact CE1-CG2 4.19Å; I2242-V2333 PolarHBondContact N-O 3Å; I2317-V2333 HydrophobicContact CD1-CG2 3.89Å
2334G87.9Confident73.3Confident0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-108.2122.2179.400000113.1L2148 I2242L2148-G2334 PolarHBondContact N-O 2.9Å; L2148-G2334 PolarHBondContact O-N 3.35Å; I2242-G2334 CarbonylContact O-C 3.59Å; I2242-G2334 WeakPolarHBondContact O-CA 3.32Å
2335F90.1Very high73.1Confident0 Ų039.3 Ų39.30%022%0.223CC..EExtended strand (participates in β ladder)trans-88.8120.4167.4-62-87.9000109.1Y2138 L2139 Y2142 I2147 F2241 I2242 Q2243 V2244 P2253 I2256Y2138-F2335 HydrophobicContact CE1-CD1 4.45Å; Y2138-F2335 HydrophobicContact CE1-CD2 4.46Å; Y2138-F2335 HydrophobicContact CE1-CG 4.38Å; L2139-F2335 HydrophobicContact CD1-CE1 3.92Å; L2139-F2335 HydrophobicContact CD1-CZ 4.4Å; Y2142-F2335 HydrophobicContact CD1-CB 4.32Å; Y2142-F2335 AromaticContact CD2-CD1 3.84Å; Y2142-F2335 HydrophobicContact CD2-CD1 3.84Å; Y2142-F2335 HydrophobicContact CE1-CB 3.97Å; Y2142-F2335 HydrophobicContact CE2-CB 4.26Å; Y2142-F2335 HydrophobicContact CE2-CD1 4.12Å; Y2142-F2335 HydrophobicContact CE2-CG 4.45Å; Y2142-F2335 HydrophobicContact CG-CD1 4.07Å; I2147-F2335 HydrophobicContact CD1-CD1 4.12Å; I2147-F2335 HydrophobicContact CD1-CE1 3.87Å; I2147-F2335 HydrophobicContact CG1-CD1 3.78Å; I2147-F2335 HydrophobicContact CG1-CE1 3.98Å; I2147-F2335 HydrophobicContact CG2-CE1 4.45Å; F2241-F2335 HydrophobicContact CB-CE2 4.29Å; F2241-F2335 HydrophobicContact CD1-CE2 4Å; F2241-F2335 HydrophobicContact CD1-CZ 4.36Å; I2242-F2335 WeakPolarHBondContact O-CD2 3.3Å; I2242-F2335 PolarHBondContact O-N 3.25Å; Q2243-F2335 CarbonylContact C-O 3.5Å; Q2243-F2335 WeakPolarHBondContact CA-O 3.39Å; Q2243-F2335 HydrophobicContact CB-CB 4.41Å; V2244-F2335 PolarHBondContact N-O 3.03Å; P2253-F2335 HydrophobicContact CG-CE2 4.34Å; I2256-F2335 HydrophobicContact CD1-CE2 3.9Å; I2256-F2335 HydrophobicContact CD1-CZ 3.69Å
2336I86.7Confident73Confident5 Ų544 Ų443%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-103.3121.9-172.9-60.1171000109.9D2146 L2148D2146-I2336 PolarHBondContact O-N 3.33Å; L2148-I2336 HydrophobicContact CB-CD1 4.01Å; L2148-I2336 HydrophobicContact CD2-CD1 4.32Å
2337D81.7Confident72.5Confident37 Ų3744.6 Ų44.620%0.19822%0.224CC..PPolyproline II helixtrans-68.5137.2169.2-77.717.3000110.7R2190 Q2243 V2244 P2245 N2246R2190-D2337 PolarHBondContact NH1-O 2.92Å; Q2243-D2337 PolarHBondContact NE2-OD1 3.44Å; V2244-D2337 PolarHBondContact O-N 3.19Å; V2244-D2337 VanDerWaalsContact O-N 3.08Å; P2245-D2337 WeakPolarHBondContact CA-OD2 3.36Å; N2246-D2337 HydrophobicContact CB-CB 4.49Å; N2246-D2337 PolarHBondContact N-OD2 3.02Å; N2246-D2337 PolarHBondContact OD1-O 3.1Å
2338R77.1Confident71.9Confident95 Ų9545 Ų4536%0.35823%0.228SC..PPolyproline II helixtrans-77.4133.6172-66.6-174.1-174.4-145-6111.9T2068 T2143 D2146 N2246T2068-R2338 CarbonylContact O-C 3.43Å; T2068-R2338 WeakPolarHBondContact O-CA 3.31Å; T2068-R2338 VanDerWaalsContact O-CB 3.31Å; T2068-R2338 WeakPolarHBondContact O-CB 3.34Å; T2143-R2338 PolarHBondContact OG1-NH2 2.99Å; T2143-R2338 VanDerWaalsContact OG1-NH2 3.17Å; D2146-R2338 WeakPolarHBondContact OD1-CG 3.41Å; D2146-R2338 IonicContact OD1-CZ 3.8Å; D2146-R2338 IonicContact OD1-NE 2.78Å; D2146-R2338 PolarHBondContact OD1-NE 3.42Å; D2146-R2338 IonicContact OD1-NH2 2.79Å; D2146-R2338 PolarHBondContact OD1-NH2 3.14Å; D2146-R2338 VanDerWaalsContact OD1-NH2 3.13Å; D2146-R2338 IonicContact OD2-CZ 3.62Å; D2146-R2338 IonicContact OD2-NE 2.74Å; D2146-R2338 PolarHBondContact OD2-NE 2.87Å; D2146-R2338 IonicContact OD2-NH2 3.69Å; D2146-R2338 PolarHBondContact OD2-NH2 2.99Å; N2246-R2338 PolarHBondContact ND2-O 2.92Å; N2246-R2338 VanDerWaalsContact OD1-C 3.28Å; N2246-R2338 PolarHBondContact OD1-O 3.12Å
2339A67.3Low71.1Confident7 Ų749.2 Ų49.26%0.05824%0.239CC..BIsolated β-bridgetrans-76157.2178.600000112.5G2067 T2068 N2246G2067-A2339 CarbonylContact C-O 3.56Å; G2067-A2339 VanDerWaalsContact CA-O 3.29Å; G2067-A2339 WeakPolarHBondContact CA-O 3.44Å; T2068-A2339 PolarHBondContact N-O 3.36Å; T2068-A2339 PolarHBondContact O-N 3.06Å; T2068-A2339 PolarHBondContact OG1-O 2.94Å; N2246-A2339 WeakPolarHBondContact OD1-CA 3.32Å; N2246-A2339 PolarHBondContact OD1-N 3.23Å
2340F63.4Low70.2Confident99 Ų9949.1 Ų49.143%0.43425%0.251SS..  trans-112138.3168.7-70-75.1000109.4S2342 A2345F2340-S2342 PolarHBondContact O-N 2.91Å; F2340-A2345 HydrophobicContact CB-CB 4.47Å
2341P59.8Low69.3Low49 Ų4951.6 Ų51.632%0.31828%0.277SS..  trans-49.5130.2171.6-29.235.1000112F2343 L2344 A2345P2341-F2343 PolarHBondContact O-N 3.44Å; P2341-L2344 HydrophobicContact CG-CD1 4.42Å; P2341-L2344 WeakPolarHBondContact O-CA 3.21Å; P2341-L2344 WeakPolarHBondContact O-CB 3.45Å; P2341-L2344 PolarHBondContact O-N 3.42Å; P2341-A2345 PolarHBondContact O-N 2.9Å; P2341-A2345 VanDerWaalsContact O-N 3.16Å
2342S57.2Low68.3Low45 Ų4553.8 Ų53.832%0.31529%0.291SS..Hα-helixtrans-57.7-30.3-166.159.90000114.8N2195 F2340 A2345 K2346N2195-S2342 WeakPolarHBondContact O-CB 3.44Å; N2195-S2342 PolarHBondContact O-OG 2.8Å; F2340-S2342 PolarHBondContact O-N 2.91Å; S2342-A2345 PolarHBondContact O-N 3.37Å; S2342-K2346 WeakPolarHBondContact O-CB 3.37Å; S2342-K2346 PolarHBondContact O-N 2.81Å
2343F55.7Low67.4Low97 Ų9759.3 Ų59.343%0.42532%0.319SS..Hα-helixtrans-57.7-47.6170.6172.2-106000112.5P2341 K2346 V2347P2341-F2343 PolarHBondContact O-N 3.44Å; F2343-K2346 PolarHBondContact O-N 2.9Å; F2343-V2347 HydrophobicContact CE2-CG2 4.47Å; F2343-V2347 WeakPolarHBondContact O-CG2 3.16Å; F2343-V2347 PolarHBondContact O-N 3.38Å
2344L58.6Low66.5Low20 Ų2062.1 Ų62.111%0.10534%0.343CS..Hα-helixtrans-67.4-45.7178.4-65.8178.4000110.5L2063 P2341 K2346 V2347 F2348L2063-L2344 HydrophobicContact CD1-CD2 4.03Å; L2063-L2344 HydrophobicContact CD2-CD1 4.48Å; L2063-L2344 HydrophobicContact CD2-CD2 4.28Å; P2341-L2344 HydrophobicContact CG-CD1 4.42Å; P2341-L2344 WeakPolarHBondContact O-CA 3.21Å; P2341-L2344 WeakPolarHBondContact O-CB 3.45Å; P2341-L2344 PolarHBondContact O-N 3.42Å; L2344-K2346 PolarHBondContact O-N 2.91Å; L2344-V2347 PolarHBondContact O-N 3.25Å; L2344-V2347 VanDerWaalsContact O-N 3.12Å; L2344-F2348 HydrophobicContact CB-CD2 3.99Å; L2344-F2348 HydrophobicContact CB-CE2 3.87Å; L2344-F2348 HydrophobicContact CD2-CE2 4.15Å; L2344-F2348 HydrophobicContact CG-CE2 4.44Å; L2344-F2348 WeakPolarHBondContact O-CB 3.3Å; L2344-F2348 WeakPolarHBondContact O-CD2 3.4Å; L2344-F2348 WeakPolarHBondContact O-CG 3.46Å; L2344-F2348 PolarHBondContact O-N 3.26Å
2345A58.7Low65.5Low32 Ų3266.2 Ų66.226%0.26437%0.368SS..Hα-helixtrans-57.7-34.517700000112.8F2340 P2341 S2342 K2349F2340-A2345 HydrophobicContact CB-CB 4.47Å; P2341-A2345 PolarHBondContact O-N 2.9Å; P2341-A2345 VanDerWaalsContact O-N 3.16Å; S2342-A2345 PolarHBondContact O-N 3.37Å; A2345-K2349 WeakPolarHBondContact O-CB 3.4Å; A2345-K2349 VanDerWaalsContact O-CG 3.27Å; A2345-K2349 WeakPolarHBondContact O-CG 3.48Å; A2345-K2349 PolarHBondContact O-N 3.46Å
2346K59.9Low64.6Low181 Ų18169.1 Ų69.179%0.78738%0.379SS*.Hα-helixtrans-75.3-31.1178.3-157.8169.2-172173.80113.2S2342 F2343 L2344S2342-K2346 WeakPolarHBondContact O-CB 3.37Å; S2342-K2346 PolarHBondContact O-N 2.81Å; F2343-K2346 PolarHBondContact O-N 2.9Å; L2344-K2346 PolarHBondContact O-N 2.91Å
2347V56.3Low64.2Low77 Ų7773.2 Ų73.247%0.46740%0.4SS..Hα-helixtrans-78.7-43.4174.51750000111.5F2343 L2344 K2349 G2350F2343-V2347 HydrophobicContact CE2-CG2 4.47Å; F2343-V2347 WeakPolarHBondContact O-CG2 3.16Å; F2343-V2347 PolarHBondContact O-N 3.38Å; L2344-V2347 PolarHBondContact O-N 3.25Å; L2344-V2347 VanDerWaalsContact O-N 3.12Å; V2347-K2349 VanDerWaalsContact C-N 3.3Å; V2347-K2349 PolarHBondContact O-N 3.12Å; V2347-G2350 PolarHBondContact O-N 2.95Å
2348F57.2Low64Low72 Ų7274.2 Ų74.232%0.31641%0.411SS..Hα-helixtrans-72.7-17.5-179.3-67.4-51.7000114.3L2063 L2344 G2350 V2352L2063-F2348 HydrophobicContact CB-CZ 4.4Å; L2344-F2348 HydrophobicContact CB-CD2 3.99Å; L2344-F2348 HydrophobicContact CB-CE2 3.87Å; L2344-F2348 HydrophobicContact CD2-CE2 4.15Å; L2344-F2348 HydrophobicContact CG-CE2 4.44Å; L2344-F2348 WeakPolarHBondContact O-CB 3.3Å; L2344-F2348 WeakPolarHBondContact O-CD2 3.4Å; L2344-F2348 WeakPolarHBondContact O-CG 3.46Å; L2344-F2348 PolarHBondContact O-N 3.26Å; F2348-G2350 PolarHBondContact O-N 3.45Å; F2348-V2352 HydrophobicContact CD1-CG2 3.99Å; F2348-V2352 HydrophobicContact CE1-CG2 4.5Å
2349K57.3Low63.8Low155 Ų15572.7 Ų72.767%0.67441%0.411SS*.THydrogen-bonded Turntrans-70.5-6.3165.9-78.6175.9179.2-177.20113.3A2345 V2347A2345-K2349 WeakPolarHBondContact O-CB 3.4Å; A2345-K2349 VanDerWaalsContact O-CG 3.27Å; A2345-K2349 WeakPolarHBondContact O-CG 3.48Å; A2345-K2349 PolarHBondContact O-N 3.46Å; V2347-K2349 VanDerWaalsContact C-N 3.3Å; V2347-K2349 PolarHBondContact O-N 3.12Å
2350G59.4Low64.5Low41 Ų4174.9 Ų74.942%0.42342%0.422SS..SBendtrans-105.5161171.700000113.5V2347 F2348 V2352V2347-G2350 PolarHBondContact O-N 2.95Å; F2348-G2350 PolarHBondContact O-N 3.45Å; G2350-V2352 PolarHBondContact O-N 2.89Å
2351G62.8Low65.3Low53 Ų5375.8 Ų75.855%0.54643%0.43SS..  trans-7278.3-178.800000114I2353 A2354 V2355G2351-I2353 PolarHBondContact O-N 3.49Å; G2351-I2353 VanDerWaalsContact O-N 3.13Å; G2351-A2354 WeakPolarHBondContact O-CA 3.43Å; G2351-A2354 WeakPolarHBondContact O-CB 3.26Å; G2351-A2354 PolarHBondContact O-N 2.87Å; G2351-V2355 PolarHBondContact O-N 3.25Å
2352V61.2Low66.3Low56 Ų5678.2 Ų78.234%0.33944%0.444SS..Hα-helixtrans-52.9-36.6-177-179.50000113.2F2348 G2350 A2354 V2355 Y2356F2348-V2352 HydrophobicContact CD1-CG2 3.99Å; F2348-V2352 HydrophobicContact CE1-CG2 4.5Å; G2350-V2352 PolarHBondContact O-N 2.89Å; V2352-A2354 VanDerWaalsContact C-N 3.35Å; V2352-A2354 PolarHBondContact O-N 2.6Å; V2352-V2355 PolarHBondContact O-N 2.99Å; V2352-Y2356 WeakPolarHBondContact O-CB 3.36Å; V2352-Y2356 PolarHBondContact O-N 3.04Å
2353I68Low67.2Low119 Ų11977.6 Ų77.661%0.6144%0.438SS*.Hα-helixtrans-64-38.8175.9-63.5173.6000111.5G2351 L2357G2351-I2353 PolarHBondContact O-N 3.49Å; G2351-I2353 VanDerWaalsContact O-N 3.13Å; I2353-L2357 HydrophobicContact CG2-CD1 3.98Å; I2353-L2357 HydrophobicContact CG2-CG 4.46Å; I2353-L2357 WeakPolarHBondContact O-CB 3.44Å; I2353-L2357 VanDerWaalsContact O-CG 3.29Å; I2353-L2357 WeakPolarHBondContact O-CG 3.42Å; I2353-L2357 PolarHBondContact O-N 3.27Å
2354A70.9Confident68.2Low65 Ų6574.6 Ų74.654%0.53744%0.435SS..Hα-helixtrans-70.1-37175.500000111.5G2351 V2352 S2358G2351-A2354 WeakPolarHBondContact O-CA 3.43Å; G2351-A2354 WeakPolarHBondContact O-CB 3.26Å; G2351-A2354 PolarHBondContact O-N 2.87Å; V2352-A2354 VanDerWaalsContact C-N 3.35Å; V2352-A2354 PolarHBondContact O-N 2.6Å; A2354-S2358 VanDerWaalsContact O-CB 3.26Å; A2354-S2358 WeakPolarHBondContact O-CB 3.29Å; A2354-S2358 PolarHBondContact O-N 2.86Å; A2354-S2358 PolarHBondContact O-OG 3.34Å
2355V66.5Low69.1Low86 Ų8683 Ų8352%0.52147%0.466SS..Hα-helixtrans-61.6-51.5172.2-179.70000110.3G2351 V2352 L2357 S2358 V2359G2351-V2355 PolarHBondContact O-N 3.25Å; V2352-V2355 PolarHBondContact O-N 2.99Å; V2355-L2357 PolarHBondContact O-N 3.44Å; V2355-S2358 PolarHBondContact O-N 3.01Å; V2355-S2358 VanDerWaalsContact O-N 3.15Å; V2355-S2358 PolarHBondContact O-OG 3.28Å; V2355-V2359 HydrophobicContact CG1-CG2 4.42Å; V2355-V2359 WeakPolarHBondContact O-CG2 3.25Å; V2355-V2359 PolarHBondContact O-N 3.44Å
2356Y71.4Confident69.6Low60 Ų6083.9 Ų83.924%0.23548%0.477CS..Hα-helixtrans-56.5-48.2176.8171.9-105.5000112.7P2056 L2057 V2352 S2358 V2359 I2360P2056-Y2356 HydrophobicContact CB-CD2 3.69Å; P2056-Y2356 HydrophobicContact CB-CE2 3.94Å; P2056-Y2356 HydrophobicContact CG-CD2 4Å; P2056-Y2356 HydrophobicContact CG-CE2 4.08Å; L2057-Y2356 HydrophobicContact CG-CE2 4.49Å; V2352-Y2356 WeakPolarHBondContact O-CB 3.36Å; V2352-Y2356 PolarHBondContact O-N 3.04Å; Y2356-S2358 PolarHBondContact O-N 2.89Å; Y2356-V2359 PolarHBondContact O-N 2.67Å; Y2356-I2360 HydrophobicContact CD1-CD1 4.45Å; Y2356-I2360 HydrophobicContact CD2-CD1 4.11Å; Y2356-I2360 HydrophobicContact CE1-CD1 3.85Å; Y2356-I2360 HydrophobicContact CE2-CD1 3.46Å; Y2356-I2360 VanDerWaalsContact CE2-CD1 3.46Å; Y2356-I2360 HydrophobicContact CE2-CG1 4.34Å; Y2356-I2360 PolarHBondContact O-N 3.17Å; Y2356-I2360 WeakPolarHBondContact OH-CD1 3.45Å
2357L77.8Confident70.1Confident91 Ų9180.6 Ų80.648%0.47647%0.468SS..Hα-helixtrans-62.4-41.4175.1-74.5170.9000111.9I2353 V2355 I2360 L2361I2353-L2357 HydrophobicContact CG2-CD1 3.98Å; I2353-L2357 HydrophobicContact CG2-CG 4.46Å; I2353-L2357 WeakPolarHBondContact O-CB 3.44Å; I2353-L2357 VanDerWaalsContact O-CG 3.29Å; I2353-L2357 WeakPolarHBondContact O-CG 3.42Å; I2353-L2357 PolarHBondContact O-N 3.27Å; V2355-L2357 PolarHBondContact O-N 3.44Å; L2357-I2360 PolarHBondContact O-N 2.97Å; L2357-L2361 VanDerWaalsContact O-CB 3.25Å; L2357-L2361 WeakPolarHBondContact O-CB 3.41Å; L2357-L2361 WeakPolarHBondContact O-CG 3.43Å; L2357-L2361 PolarHBondContact O-N 3.48Å
2358S77.1Confident70.9Confident59 Ų5980 Ų8041%0.41346%0.464SS..Hα-helixtrans-63.9-41.517776.10000111.9A2354 V2355 Y2356 L2361 V2362A2354-S2358 VanDerWaalsContact O-CB 3.26Å; A2354-S2358 WeakPolarHBondContact O-CB 3.29Å; A2354-S2358 PolarHBondContact O-N 2.86Å; A2354-S2358 PolarHBondContact O-OG 3.34Å; V2355-S2358 PolarHBondContact O-N 3.01Å; V2355-S2358 VanDerWaalsContact O-N 3.15Å; V2355-S2358 PolarHBondContact O-OG 3.28Å; Y2356-S2358 PolarHBondContact O-N 2.89Å; S2358-L2361 PolarHBondContact O-N 2.91Å; S2358-V2362 VanDerWaalsContact O-CB 3.31Å; S2358-V2362 WeakPolarHBondContact O-CB 3.45Å; S2358-V2362 WeakPolarHBondContact O-CG2 3.29Å; S2358-V2362 PolarHBondContact O-N 2.96Å
2359V73.9Confident71.9Confident62 Ų6284 Ų8438%0.37648%0.477SS..Hα-helixtrans-66.6-44.3178.3168.80000111.2F2052 V2355 Y2356 V2362 V2363F2052-V2359 HydrophobicContact CE1-CG1 4.12Å; F2052-V2359 HydrophobicContact CZ-CG1 3.55Å; V2355-V2359 HydrophobicContact CG1-CG2 4.42Å; V2355-V2359 WeakPolarHBondContact O-CG2 3.25Å; V2355-V2359 PolarHBondContact O-N 3.44Å; Y2356-V2359 PolarHBondContact O-N 2.67Å; V2359-V2362 PolarHBondContact O-N 3.48Å; V2359-V2363 PolarHBondContact O-N 3.05Å
2360I80.4Confident72.7Confident54 Ų5477.5 Ų77.528%0.27745%0.454SS..Hα-helixtrans-66.8-38175.3-73.8-176.1000111.6Y2356 L2357 G2364Y2356-I2360 HydrophobicContact CD1-CD1 4.45Å; Y2356-I2360 HydrophobicContact CD2-CD1 4.11Å; Y2356-I2360 HydrophobicContact CE1-CD1 3.85Å; Y2356-I2360 HydrophobicContact CE2-CD1 3.46Å; Y2356-I2360 VanDerWaalsContact CE2-CD1 3.46Å; Y2356-I2360 HydrophobicContact CE2-CG1 4.34Å; Y2356-I2360 PolarHBondContact O-N 3.17Å; Y2356-I2360 WeakPolarHBondContact OH-CD1 3.45Å; L2357-I2360 PolarHBondContact O-N 2.97Å; I2360-G2364 WeakPolarHBondContact O-CA 3.05Å; I2360-G2364 PolarHBondContact O-N 2.99Å
2361L81.2Confident73.3Confident117 Ų11780.6 Ų80.661%0.61346%0.46SS*.Hα-helixtrans-68.6-39.4175-73.8169.4000111.9L2357 S2358 R2365L2357-L2361 VanDerWaalsContact O-CB 3.25Å; L2357-L2361 WeakPolarHBondContact O-CB 3.41Å; L2357-L2361 WeakPolarHBondContact O-CG 3.43Å; L2357-L2361 PolarHBondContact O-N 3.48Å; S2358-L2361 PolarHBondContact O-N 2.91Å; L2361-R2365 WeakPolarHBondContact O-CA 3.37Å; L2361-R2365 WeakPolarHBondContact O-CB 3.32Å; L2361-R2365 PolarHBondContact O-N 2.72Å
2362V79.9Confident74Confident101 Ų10185.3 Ų85.361%0.61247%0.465SS*.Hα-helixtrans-66.7-46.6176.8165.60000111.3S2358 V2359 G2366S2358-V2362 VanDerWaalsContact O-CB 3.31Å; S2358-V2362 WeakPolarHBondContact O-CB 3.45Å; S2358-V2362 WeakPolarHBondContact O-CG2 3.29Å; S2358-V2362 PolarHBondContact O-N 2.96Å; V2359-V2362 PolarHBondContact O-N 3.48Å; V2362-G2366 WeakPolarHBondContact O-CA 3.08Å; V2362-G2366 PolarHBondContact O-N 3.37Å
2363V76.6Confident74.8Confident31 Ų3186.4 Ų86.419%0.18847%0.472CS..Iπ-helixtrans-73-39.7178.2171.20000111.7F2052 V2359 L2367 V2368F2052-V2363 HydrophobicContact CD1-CG1 4.17Å; F2052-V2363 HydrophobicContact CE1-CB 3.72Å; F2052-V2363 HydrophobicContact CE1-CG1 3.8Å; F2052-V2363 HydrophobicContact CE1-CG2 3.8Å; F2052-V2363 HydrophobicContact CE2-CG2 4.16Å; F2052-V2363 HydrophobicContact CZ-CB 3.9Å; F2052-V2363 HydrophobicContact CZ-CG1 4.12Å; F2052-V2363 HydrophobicContact CZ-CG2 3.4Å; F2052-V2363 VanDerWaalsContact CZ-CG2 3.4Å; V2359-V2363 PolarHBondContact O-N 3.05Å; V2363-L2367 HydrophobicContact CG1-CB 4.45Å; V2363-L2367 HydrophobicContact CG1-CD1 4.27Å; V2363-L2367 HydrophobicContact CG2-CD1 4.16Å; V2363-L2367 PolarHBondContact O-N 2.83Å; V2363-L2367 VanDerWaalsContact O-N 3.15Å; V2363-V2368 HydrophobicContact CG1-CG2 4.32Å; V2363-V2368 PolarHBondContact O-N 3.15Å
2364G77.5Confident75.1Confident35 Ų3584.2 Ų84.236%0.36146%0.464SS..Iπ-helixtrans-65.9-44.8177.100000113.2I2360 R2369I2360-G2364 WeakPolarHBondContact O-CA 3.05Å; I2360-G2364 PolarHBondContact O-N 2.99Å; G2364-R2369 WeakPolarHBondContact O-CB 3.35Å; G2364-R2369 PolarHBondContact O-N 3.32Å
2365R77.6Confident75.3Confident197 Ų19784 Ų8474%0.74346%0.459SS*.Iπ-helixtrans-84.3-40.3-179.4-171.6-177.7172.2106.11.1113.1L2361L2361-R2365 WeakPolarHBondContact O-CA 3.37Å; L2361-R2365 WeakPolarHBondContact O-CB 3.32Å; L2361-R2365 PolarHBondContact O-N 2.72Å
2366G69.3Low76Confident49 Ų4984.1 Ų84.151%0.50546%0.462SS..Iπ-helixtrans-83.4-58.1-174.400000113.1V2362 G2370V2362-G2366 WeakPolarHBondContact O-CA 3.08Å; V2362-G2366 PolarHBondContact O-N 3.37Å; G2366-G2370 WeakPolarHBondContact O-CA 3.4Å; G2366-G2370 PolarHBondContact O-N 2.59Å
2367L69Low76.5Confident113 Ų11385.3 Ų85.359%0.59248%0.478SS*.Iπ-helixtrans-82.5-64.2-176.9-66175.6000112V2363 G2370 I2371V2363-L2367 HydrophobicContact CG1-CB 4.45Å; V2363-L2367 HydrophobicContact CG1-CD1 4.27Å; V2363-L2367 HydrophobicContact CG2-CD1 4.16Å; V2363-L2367 PolarHBondContact O-N 2.83Å; V2363-L2367 VanDerWaalsContact O-N 3.15Å; L2367-G2370 PolarHBondContact O-N 3.03Å; L2367-I2371 WeakPolarHBondContact O-CG1 3.5Å; L2367-I2371 PolarHBondContact O-N 2.05Å; L2367-I2371 VanDerWaalsContact O-N 3.09Å
2368V74.7Confident76.7Confident65 Ų6583.3 Ų83.339%0.39447%0.47SS..Iπ-helixtrans-65.9-56-170.5-178.90000110.9V2363 G2370 F2372V2363-V2368 HydrophobicContact CG1-CG2 4.32Å; V2363-V2368 PolarHBondContact O-N 3.15Å; V2368-G2370 VanDerWaalsContact C-N 3.3Å; V2368-G2370 PolarHBondContact O-N 3.35Å; V2368-F2372 HydrophobicContact CG1-CD2 4.16Å; V2368-F2372 HydrophobicContact CG1-CE2 4.11Å; V2368-F2372 WeakPolarHBondContact O-CD2 3.4Å; V2368-F2372 PolarHBondContact O-N 3.5Å
2369R77.3Confident77.1Confident156 Ų15684 Ų8459%0.58947%0.471SS*.Hα-helixtrans-65.6-33.5176.7-176.6175.7-177.81412112.1G2364 F2372 T2373G2364-R2369 WeakPolarHBondContact O-CB 3.35Å; G2364-R2369 PolarHBondContact O-N 3.32Å; R2369-F2372 PolarHBondContact O-N 3.03Å; R2369-T2373 HydrophobicContact CG-CG2 3.71Å; R2369-T2373 WeakPolarHBondContact O-CB 3.49Å; R2369-T2373 WeakPolarHBondContact O-CG2 3.25Å; R2369-T2373 PolarHBondContact O-N 3.04Å; R2369-T2373 PolarHBondContact O-OG1 2.91Å
2370G74.3Confident77.6Confident17 Ų1784.4 Ų84.418%0.17547%0.47CS..Hα-helixtrans-52.8-6217500000111.2G2366 L2367 V2368 F2372 T2373 T2374G2366-G2370 WeakPolarHBondContact O-CA 3.4Å; G2366-G2370 PolarHBondContact O-N 2.59Å; L2367-G2370 PolarHBondContact O-N 3.03Å; V2368-G2370 VanDerWaalsContact C-N 3.3Å; V2368-G2370 PolarHBondContact O-N 3.35Å; G2370-F2372 VanDerWaalsContact C-N 3.33Å; G2370-F2372 PolarHBondContact O-N 3.24Å; G2370-T2373 PolarHBondContact O-N 3.13Å; G2370-T2374 WeakPolarHBondContact O-CG2 3.39Å; G2370-T2374 PolarHBondContact O-N 3.42Å; G2370-T2374 PolarHBondContact O-OG1 2.97Å
2371I73Confident77.8Confident107 Ų10784.7 Ų84.755%0.54947%0.47SS..Hα-helixtrans-51.6-49-179.9-65.9162.9000111.9L2367 S2375L2367-I2371 WeakPolarHBondContact O-CG1 3.5Å; L2367-I2371 PolarHBondContact O-N 2.05Å; L2367-I2371 VanDerWaalsContact O-N 3.09Å; I2371-S2375 PolarHBondContact O-N 3.44Å; I2371-S2375 PolarHBondContact O-OG 3.35Å
2372F76.5Confident77.9Confident152 Ų15281.4 Ų81.467%0.66745%0.454SS*.Hα-helixtrans-76.4-25.6-175.8-68.9-61.7000114.6V2368 R2369 G2370V2368-F2372 HydrophobicContact CG1-CD2 4.16Å; V2368-F2372 HydrophobicContact CG1-CE2 4.11Å; V2368-F2372 WeakPolarHBondContact O-CD2 3.4Å; V2368-F2372 PolarHBondContact O-N 3.5Å; R2369-F2372 PolarHBondContact O-N 3.03Å; G2370-F2372 VanDerWaalsContact C-N 3.33Å; G2370-F2372 PolarHBondContact O-N 3.24Å
2373T78.5Confident78.2Confident79 Ų7982.5 Ų82.549%0.48545%0.453SS..Hα-helixtrans-98.1-22.3-177.759.10000114.6R2369 G2370R2369-T2373 HydrophobicContact CG-CG2 3.71Å; R2369-T2373 WeakPolarHBondContact O-CB 3.49Å; R2369-T2373 WeakPolarHBondContact O-CG2 3.25Å; R2369-T2373 PolarHBondContact O-N 3.04Å; R2369-T2373 PolarHBondContact O-OG1 2.91Å; G2370-T2373 PolarHBondContact O-N 3.13Å
2374T73.2Confident78.7Confident72 Ų7281.3 Ų81.344%0.44245%0.445SS..Hα-helixtrans-83.7-2717360.40000112.9G2370 S2377 T2378G2370-T2374 WeakPolarHBondContact O-CG2 3.39Å; G2370-T2374 PolarHBondContact O-N 3.42Å; G2370-T2374 PolarHBondContact O-OG1 2.97Å; T2374-S2377 PolarHBondContact O-N 3.31Å; T2374-S2377 VanDerWaalsContact O-N 3.1Å; T2374-S2377 PolarHBondContact O-OG 3.25Å; T2374-T2378 PolarHBondContact O-N 3.48Å; T2374-T2378 VanDerWaalsContact O-N 3.15Å; T2374-T2378 PolarHBondContact O-OG1 2.78Å
2375S76Confident79Confident60 Ų6082.6 Ų82.642%0.4245%0.447SS..Hα-helixtrans-52.3-45.2-178.3-66.60000113.6I2371 S2377 T2378 V2379I2371-S2375 PolarHBondContact O-N 3.44Å; I2371-S2375 PolarHBondContact O-OG 3.35Å; S2375-S2377 PolarHBondContact O-N 3.36Å; S2375-T2378 PolarHBondContact O-N 2.9Å; S2375-T2378 PolarHBondContact O-OG1 2.93Å; S2375-V2379 WeakPolarHBondContact O-CG2 3.45Å; S2375-V2379 PolarHBondContact O-N 2.74Å
2376P81.5Confident79.3Confident90 Ų9074.3 Ų74.358%0.58442%0.418SS*.Hα-helixtrans-64.4-35.3177.8-23.435.9000114.4T2378 V2379P2376-T2378 VanDerWaalsContact C-N 3.34Å; P2376-V2379 WeakPolarHBondContact O-CG2 3.26Å
2377S80.6Confident80.1Confident84 Ų8472 Ų7259%0.58740%0.395SS*.Hα-helixtrans-76.9-20.4179.348.50000113.1T2374 S2375T2374-S2377 PolarHBondContact O-N 3.31Å; T2374-S2377 VanDerWaalsContact O-N 3.1Å; T2374-S2377 PolarHBondContact O-OG 3.25Å; S2375-S2377 PolarHBondContact O-N 3.36Å
2378T83.4Confident80.8Confident50 Ų5068.7 Ų68.731%0.30738%0.377SS..Hα-helixtrans-89.3-8.6175.951.60000114.7T2374 S2375 P2376 M2380 F2381 T2382T2374-T2378 PolarHBondContact O-N 3.48Å; T2374-T2378 VanDerWaalsContact O-N 3.15Å; T2374-T2378 PolarHBondContact O-OG1 2.78Å; S2375-T2378 PolarHBondContact O-N 2.9Å; S2375-T2378 PolarHBondContact O-OG1 2.93Å; P2376-T2378 VanDerWaalsContact C-N 3.34Å; T2378-M2380 PolarHBondContact O-N 2.71Å; T2378-M2380 VanDerWaalsContact O-N 3.13Å; T2378-F2381 PolarHBondContact O-N 3.07Å; T2378-T2382 PolarHBondContact O-N 2.96Å; T2378-T2382 PolarHBondContact O-OG1 3.12Å
2379V84.5Confident81.1Confident72 Ų7266.3 Ų66.344%0.43636%0.362SS..Hα-helixtrans-51.3-41.3-176174.80000112.8S2375 P2376 F2381 T2382 E2383S2375-V2379 WeakPolarHBondContact O-CG2 3.45Å; S2375-V2379 PolarHBondContact O-N 2.74Å; P2376-V2379 WeakPolarHBondContact O-CG2 3.26Å; V2379-F2381 PolarHBondContact O-N 2.81Å; V2379-F2381 VanDerWaalsContact O-N 3.13Å; V2379-T2382 WeakPolarHBondContact CA-OG1 3.42Å; V2379-T2382 PolarHBondContact O-N 2.85Å; V2379-E2383 HydrophobicContact CG1-CB 4.28Å; V2379-E2383 HydrophobicContact CG1-CG 4.18Å; V2379-E2383 PolarHBondContact O-N 3.34Å
2380M84.7Confident81.6Confident72 Ų7258.9 Ų58.936%0.35533%0.334SS..Hα-helixtrans-61.1-20.6179.663.9170.1-67.200114.3T2378 P2423 L2426T2378-M2380 PolarHBondContact O-N 2.71Å; T2378-M2380 VanDerWaalsContact O-N 3.13Å; M2380-P2423 HydrophobicContact CE-CB 3.99Å; M2380-P2423 HydrophobicContact CE-CG 3.7Å; M2380-L2426 HydrophobicContact CE-CD2 4.43Å; M2380-L2426 WeakPolarHBondContact O-CD2 3.3Å
2381F83.9Confident82.1Confident59 Ų5958.4 Ų58.426%0.25933%0.327SS..Hα-helixtrans-105.8-27.2175.9-52-61.4000112.4H2011 I2015 T2378 V2379 L2384 F2420 L2426H2011-F2381 PolarHBondContact CE1-O 3.44Å; I2015-F2381 WeakPolarHBondContact CD1-O 3.34Å; T2378-F2381 PolarHBondContact O-N 3.07Å; V2379-F2381 PolarHBondContact O-N 2.81Å; V2379-F2381 VanDerWaalsContact O-N 3.13Å; F2381-L2384 WeakPolarHBondContact O-CD1 3.49Å; F2381-L2384 WeakPolarHBondContact O-CG 3.3Å; F2381-F2420 AromaticContact CD1-CD1 3.72Å; F2381-F2420 HydrophobicContact CD1-CD1 3.72Å; F2381-F2420 AromaticContact CD1-CE1 3.99Å; F2381-F2420 HydrophobicContact CD1-CE1 3.99Å; F2381-F2420 AromaticContact CE1-CD1 3.72Å; F2381-F2420 HydrophobicContact CE1-CD1 3.72Å; F2381-F2420 HydrophobicContact CE1-CE1 4.44Å; F2381-L2426 HydrophobicContact CD1-CD2 4.11Å; F2381-L2426 HydrophobicContact CE1-CD2 4.41Å
2382T83.8Confident82.5Confident48 Ų4854.2 Ų54.229%0.29431%0.305SS..Hα-helixtrans-87.3-36-176.160.80000113.7T2378 V2379 L2384T2378-T2382 PolarHBondContact O-N 2.96Å; T2378-T2382 PolarHBondContact O-OG1 3.12Å; V2379-T2382 WeakPolarHBondContact CA-OG1 3.42Å; V2379-T2382 PolarHBondContact O-N 2.85Å; T2382-L2384 VanDerWaalsContact C-N 3.27Å; T2382-L2384 PolarHBondContact O-N 2.98Å
2383E85.4Confident82.9Confident124 Ų12447.2 Ų47.258%0.57928%0.275SS*.  trans-93.639.6-174.5-67.5-65.8-179.900113.5R2019 V2379R2019-E2383 IonicContact CZ-OE2 2.7Å; R2019-E2383 IonicContact NH1-OE2 2.66Å; R2019-E2383 IonicContact NH2-OE2 3.98Å; R2019-E2383 PolarHBondContact NH2-OE2 2.94Å; V2379-E2383 HydrophobicContact CG1-CB 4.28Å; V2379-E2383 HydrophobicContact CG1-CG 4.18Å; V2379-E2383 PolarHBondContact O-N 3.34Å
2384L87.9Confident83.3Confident6 Ų643.5 Ų43.53%0.03125%0.252CS..  trans-74.2130172.4-55.8177.2000109.4I2015 R2019 F2381 T2382 L2390 L2426 T2430I2015-L2384 HydrophobicContact CD1-CD1 4.16Å; R2019-L2384 PolarHBondContact NE-O 3.35Å; R2019-L2384 PolarHBondContact NH2-O 3.47Å; R2019-L2384 VanDerWaalsContact NH2-O 3.1Å; F2381-L2384 WeakPolarHBondContact O-CD1 3.49Å; F2381-L2384 WeakPolarHBondContact O-CG 3.3Å; T2382-L2384 VanDerWaalsContact C-N 3.27Å; T2382-L2384 PolarHBondContact O-N 2.98Å; L2384-L2390 HydrophobicContact CD1-CD1 3.55Å; L2384-L2426 HydrophobicContact CD1-CD1 4.05Å; L2384-L2426 HydrophobicContact CD2-CD1 3.79Å; L2384-L2426 HydrophobicContact CD2-CD2 4.23Å; L2384-L2426 HydrophobicContact CD2-CG 3.92Å; L2384-T2430 HydrophobicContact CD1-CG2 4.46Å; L2384-T2430 HydrophobicContact CD2-CG2 4.31Å
2385P84.8Confident83.7Confident62 Ų6242.3 Ų42.340%0.40324%0.242SC..SBendtrans-84.3-36.7-176.926.8-24.8000112.7T2430 M2432P2385-T2430 WeakPolarHBondContact CD-O 3.44Å; P2385-T2430 VanDerWaalsContact CG-O 3.31Å; P2385-T2430 WeakPolarHBondContact CG-O 3.37Å; P2385-M2432 HydrophobicContact CB-CG 4.07Å
2386N83.9Confident84.1Confident23 Ų2340.5 Ų40.512%0.12323%0.228CC..  trans-119.6122.4167-178.98.9000110D2388 H2389 T2430 M2432N2386-D2388 VanDerWaalsContact OD1-CB 3.27Å; N2386-D2388 WeakPolarHBondContact OD1-CB 3.46Å; N2386-D2388 VanDerWaalsContact OD1-CG 3.27Å; N2386-D2388 PolarHBondContact OD1-N 2.9Å; N2386-D2388 PolarHBondContact OD1-OD1 3.41Å; N2386-H2389 PolarHBondContact ND2-CD2 2.96Å; N2386-H2389 VanDerWaalsContact ND2-CD2 3.32Å; N2386-H2389 PolarHBondContact ND2-NE2 3.42Å; N2386-H2389 VanDerWaalsContact ND2-NE2 3.14Å; N2386-T2430 WeakPolarHBondContact CB-O 3.49Å; N2386-T2430 PolarHBondContact N-O 3.21Å; N2386-T2430 WeakPolarHBondContact O-CB 3.23Å; N2386-T2430 WeakPolarHBondContact O-CG2 3.45Å; N2386-M2432 HydrophobicContact CB-SD 4.27Å
2387A86.2Confident84.3Confident2 Ų236.2 Ų36.22%0.01720%0.2CC..  trans-100.5-5.4-18000000113.3I2012 I2015 H2389 L2390 L2391I2012-A2387 HydrophobicContact CG2-CB 4.36Å; I2015-A2387 HydrophobicContact CB-CB 4.4Å; I2015-A2387 HydrophobicContact CG2-CB 4.03Å; A2387-H2389 PolarHBondContact O-N 3.37Å; A2387-L2390 WeakPolarHBondContact O-CB 3.35Å; A2387-L2390 PolarHBondContact O-N 3.36Å; A2387-L2391 PolarHBondContact O-N 3.11Å
2388D81.9Confident84.4Confident42 Ų4233.8 Ų33.823%0.22518%0.178CC..Hα-helixtrans-71.2-36.6-162-64.414.9000112.3L1411 K2016 N2386 L2390 L2391 K2392L1411-D2388 HydrophobicContact CD2-CB 3.93Å; K2016-D2388 VanDerWaalsContact CD-OD1 3.23Å; K2016-D2388 WeakPolarHBondContact CD-OD1 3.41Å; K2016-D2388 VanDerWaalsContact CE-OD1 3.27Å; K2016-D2388 WeakPolarHBondContact CE-OD1 3.18Å; K2016-D2388 IonicContact NZ-OD1 3.24Å; K2016-D2388 PolarHBondContact NZ-OD1 3.39Å; K2016-D2388 IonicContact NZ-OD2 2.83Å; K2016-D2388 PolarHBondContact NZ-OD2 3.46Å; N2386-D2388 VanDerWaalsContact OD1-CB 3.27Å; N2386-D2388 WeakPolarHBondContact OD1-CB 3.46Å; N2386-D2388 VanDerWaalsContact OD1-CG 3.27Å; N2386-D2388 PolarHBondContact OD1-N 2.9Å; N2386-D2388 PolarHBondContact OD1-OD1 3.41Å; D2388-L2390 VanDerWaalsContact C-N 3.33Å; D2388-L2390 PolarHBondContact O-N 3.4Å; D2388-L2391 PolarHBondContact O-N 3.41Å; D2388-K2392 WeakPolarHBondContact O-CB 3.36Å; D2388-K2392 PolarHBondContact O-N 3Å
2389H81.6Confident84.2Confident15 Ų1532.1 Ų32.17%0.06917%0.167CC..Hα-helixtrans-64.9-35.9175.8-54.1-75.7000112.1N2386 A2387 I2393 W2429N2386-H2389 PolarHBondContact ND2-CD2 2.96Å; N2386-H2389 VanDerWaalsContact ND2-CD2 3.32Å; N2386-H2389 PolarHBondContact ND2-NE2 3.42Å; N2386-H2389 VanDerWaalsContact ND2-NE2 3.14Å; A2387-H2389 PolarHBondContact O-N 3.37Å; H2389-I2393 PolarHBondContact O-N 3.44Å; H2389-W2429 HydrophobicContact CB-CD2 4.17Å; H2389-W2429 HydrophobicContact CB-CE3 3.68Å; H2389-W2429 HydrophobicContact CB-CH2 3.58Å; H2389-W2429 HydrophobicContact CB-CZ2 4.07Å; H2389-W2429 HydrophobicContact CB-CZ3 3.39Å; H2389-W2429 VanDerWaalsContact O-CH2 3.27Å; H2389-W2429 WeakPolarHBondContact O-CH2 3.42Å; H2389-W2429 VanDerWaalsContact O-CZ3 3.28Å; H2389-W2429 WeakPolarHBondContact O-CZ3 3.1Å
2390L87.3Confident84.1Confident1 Ų128.7 Ų28.71%0.00515%0.147CC..Hα-helixtrans-70.6-40.7175.2-60.9173.9000111.6I2012 L2384 A2387 D2388 K2392 I2393 C2394 L2419 L2426 W2429 T2430I2012-L2390 HydrophobicContact CD1-CB 3.83Å; I2012-L2390 HydrophobicContact CG1-CB 4.12Å; I2012-L2390 HydrophobicContact CG1-CD1 4.47Å; I2012-L2390 HydrophobicContact CG2-CB 4.05Å; L2384-L2390 HydrophobicContact CD1-CD1 3.55Å; A2387-L2390 WeakPolarHBondContact O-CB 3.35Å; A2387-L2390 PolarHBondContact O-N 3.36Å; D2388-L2390 VanDerWaalsContact C-N 3.33Å; D2388-L2390 PolarHBondContact O-N 3.4Å; L2390-K2392 VanDerWaalsContact C-N 3.3Å; L2390-I2393 PolarHBondContact O-N 3.3Å; L2390-C2394 PolarHBondContact O-N 3.4Å; L2390-C2394 PolarHBondContact O-SG 3.4Å; L2390-L2419 HydrophobicContact CD2-CD1 4.04Å; L2390-L2419 HydrophobicContact CD2-CD2 3.49Å; L2390-L2419 VanDerWaalsContact CD2-CD2 3.49Å; L2390-L2419 HydrophobicContact CD2-CG 4.42Å; L2390-L2426 HydrophobicContact CD1-CD1 3.98Å; L2390-L2426 HydrophobicContact CD2-CD1 4.37Å; L2390-W2429 HydrophobicContact CD2-CE3 3.99Å; L2390-W2429 HydrophobicContact CD2-CZ3 3.96Å; L2390-W2429 HydrophobicContact CG-CZ3 4.48Å; L2390-T2430 HydrophobicContact CD1-CG2 3.79Å; L2390-T2430 HydrophobicContact CG-CG2 4.07Å
2391L85.6Confident84.2Confident7 Ų725.9 Ų25.94%0.03713%0.132CC..Hα-helixtrans-64.3-38.9177-171.658.1000110.8Y1964 Y2009 I2012 K2016 A2387 D2388 C2394 L2395Y1964-L2391 HydrophobicContact CE1-CD2 3.77Å; Y1964-L2391 WeakPolarHBondContact OH-CD2 3.41Å; Y2009-L2391 HydrophobicContact CD2-CD1 3.92Å; Y2009-L2391 HydrophobicContact CE2-CD1 3.6Å; I2012-L2391 HydrophobicContact CG2-CB 3.8Å; I2012-L2391 HydrophobicContact CG2-CD1 4.13Å; K2016-L2391 HydrophobicContact CB-CD2 4.24Å; K2016-L2391 HydrophobicContact CG-CD2 3.98Å; A2387-L2391 PolarHBondContact O-N 3.11Å; D2388-L2391 PolarHBondContact O-N 3.41Å; L2391-C2394 PolarHBondContact O-N 3Å; L2391-L2395 HydrophobicContact CG-CD1 4.3Å; L2391-L2395 WeakPolarHBondContact O-CG 3.41Å; L2391-L2395 PolarHBondContact O-N 3Å
2392K81.5Confident83.8Confident18 Ų1825.8 Ų25.88%0.07813%0.133CC..Hα-helixtrans-57.5-50.3172.6176.8171.2167.3177.60112.1D1409 D1410 D2388 L2390 C2394 L2395 D2396D1409-K2392 PolarHBondContact O-NZ 3.32Å; D1409-K2392 IonicContact OD1-NZ 3.39Å; D1409-K2392 PolarHBondContact OD1-NZ 2.97Å; D1410-K2392 PolarHBondContact O-NZ 3.42Å; D2388-K2392 WeakPolarHBondContact O-CB 3.36Å; D2388-K2392 PolarHBondContact O-N 3Å; L2390-K2392 VanDerWaalsContact C-N 3.3Å; K2392-C2394 VanDerWaalsContact C-N 3.27Å; K2392-C2394 PolarHBondContact O-N 3.04Å; K2392-L2395 CarbonylContact O-C 3.51Å; K2392-L2395 PolarHBondContact O-N 3.5Å; K2392-L2395 VanDerWaalsContact O-N 3.08Å; K2392-D2396 WeakPolarHBondContact CG-OD2 3.27Å; K2392-D2396 WeakPolarHBondContact O-CB 3.48Å; K2392-D2396 PolarHBondContact O-N 3.41Å
2393I85.2Confident83.6Confident6 Ų625.9 Ų25.93%0.03114%0.138CC..Hα-helixtrans-56.4-41.1175.4-70.6176.5000111.7H2389 L2390 D2396 I2397 K2415 L2416 W2429H2389-I2393 PolarHBondContact O-N 3.44Å; L2390-I2393 PolarHBondContact O-N 3.3Å; I2393-D2396 PolarHBondContact O-N 3.46Å; I2393-I2397 HydrophobicContact CG2-CD1 3.98Å; I2393-I2397 VanDerWaalsContact O-CG1 3.31Å; I2393-I2397 WeakPolarHBondContact O-CG1 3.49Å; I2393-I2397 PolarHBondContact O-N 3.29Å; I2393-K2415 HydrophobicContact CD1-CD 4.32Å; I2393-K2415 HydrophobicContact CD1-CG 4.3Å; I2393-L2416 HydrophobicContact CB-CD1 4.48Å; I2393-L2416 HydrophobicContact CG2-CB 4.08Å; I2393-L2416 HydrophobicContact CG2-CD1 3.99Å; I2393-L2416 HydrophobicContact CG2-CG 4.47Å; I2393-W2429 HydrophobicContact CD1-CH2 3.34Å; I2393-W2429 HydrophobicContact CD1-CZ2 4.23Å; I2393-W2429 HydrophobicContact CD1-CZ3 3.68Å; I2393-W2429 HydrophobicContact CG1-CH2 3.81Å; I2393-W2429 HydrophobicContact CG1-CZ3 4.35Å
2394C87.5Confident83.5Confident0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-65.8-40.8178.2-59.10000112Y2009 I2012 L2390 L2391 K2392 I2397 Y2398Y2009-C2394 HydrophobicContact CD2-CB 3.7Å; Y2009-C2394 HydrophobicContact CG-CB 4.45Å; I2012-C2394 VanDerWaalsContact CD1-SG 3.55Å; L2390-C2394 PolarHBondContact O-N 3.4Å; L2390-C2394 PolarHBondContact O-SG 3.4Å; L2391-C2394 PolarHBondContact O-N 3Å; K2392-C2394 VanDerWaalsContact C-N 3.27Å; K2392-C2394 PolarHBondContact O-N 3.04Å; C2394-I2397 PolarHBondContact O-N 3.12Å; C2394-Y2398 WeakPolarHBondContact O-CD2 3.31Å; C2394-Y2398 PolarHBondContact O-N 3.22Å
2395L81.6Confident83.3Confident48 Ų4826.1 Ų26.125%0.25114%0.138SC..Hα-helixtrans-66.7-39.5175.1-68.7171.6000112.2Y2009 L2391 K2392 I2397 Y2398 L2399Y2009-L2395 HydrophobicContact CE2-CD2 4.49Å; L2391-L2395 HydrophobicContact CG-CD1 4.3Å; L2391-L2395 WeakPolarHBondContact O-CG 3.41Å; L2391-L2395 PolarHBondContact O-N 3Å; K2392-L2395 CarbonylContact O-C 3.51Å; K2392-L2395 PolarHBondContact O-N 3.5Å; K2392-L2395 VanDerWaalsContact O-N 3.08Å; L2395-I2397 VanDerWaalsContact C-N 3.34Å; L2395-I2397 PolarHBondContact O-N 3.02Å; L2395-Y2398 PolarHBondContact O-N 3.13Å; L2395-L2399 WeakPolarHBondContact O-CB 3.36Å; L2395-L2399 PolarHBondContact O-N 3.3Å
2396D82.6Confident83.4Confident21 Ų2126.5 Ų26.511%0.11213%0.133CC..Hα-helixtrans-62.1-40.9174.9-67-25.8000110.7I1368 K2392 I2393 L2399 V2400 L2412I1368-D2396 HydrophobicContact CD1-CB 4.09Å; K2392-D2396 WeakPolarHBondContact CG-OD2 3.27Å; K2392-D2396 WeakPolarHBondContact O-CB 3.48Å; K2392-D2396 PolarHBondContact O-N 3.41Å; I2393-D2396 PolarHBondContact O-N 3.46Å; D2396-L2399 PolarHBondContact O-N 2.93Å; D2396-V2400 VanDerWaalsContact O-CB 3.24Å; D2396-V2400 WeakPolarHBondContact O-CB 3.3Å; D2396-V2400 WeakPolarHBondContact O-CG2 3.29Å; D2396-V2400 PolarHBondContact O-N 2.97Å; D2396-L2412 HydrophobicContact CB-CD1 4.16Å
2397I86.9Confident83.5Confident0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-60.8-44.4173.6-70.3165.3000111.7M1997 M2005 I2393 C2394 L2395 R2401 L2412 F2413 L2416M1997-I2397 HydrophobicContact CE-CG2 3.74Å; M2005-I2397 HydrophobicContact CE-CG2 3.98Å; M2005-I2397 HydrophobicContact CG-CD1 4.41Å; M2005-I2397 HydrophobicContact CG-CG2 4.35Å; M2005-I2397 HydrophobicContact SD-CG2 4.24Å; I2393-I2397 HydrophobicContact CG2-CD1 3.98Å; I2393-I2397 VanDerWaalsContact O-CG1 3.31Å; I2393-I2397 WeakPolarHBondContact O-CG1 3.49Å; I2393-I2397 PolarHBondContact O-N 3.29Å; C2394-I2397 PolarHBondContact O-N 3.12Å; L2395-I2397 VanDerWaalsContact C-N 3.34Å; L2395-I2397 PolarHBondContact O-N 3.02Å; I2397-R2401 WeakPolarHBondContact O-CB 3.29Å; I2397-R2401 PolarHBondContact O-N 3.44Å; I2397-L2412 HydrophobicContact CD1-CB 4.21Å; I2397-L2412 HydrophobicContact CG1-CB 3.62Å; I2397-L2412 HydrophobicContact CG1-CD1 4.37Å; I2397-F2413 HydrophobicContact CD1-CB 4.41Å; I2397-L2416 HydrophobicContact CD1-CD2 4.19Å
2398Y82.2Confident83.4Confident33 Ų3332.4 Ų32.413%0.12916%0.161CC..Hα-helixtrans-65-39.6176.1-67.2-64.3000112.4M2005 E2006 Y2009 C2394 L2395 R2401 E2402M2005-Y2398 HydrophobicContact CE-CD1 4.2Å; M2005-Y2398 HydrophobicContact CE-CE1 3.64Å; M2005-Y2398 HydrophobicContact SD-CE1 4.45Å; E2006-Y2398 PolarHBondContact OE1-OH 3.26Å; Y2009-Y2398 HydrophobicContact CD1-CE2 4.2Å; Y2009-Y2398 WeakPolarHBondContact CD1-OH 3.45Å; Y2009-Y2398 AromaticContact CD2-CE2 3.91Å; Y2009-Y2398 HydrophobicContact CD2-CE2 3.91Å; Y2009-Y2398 HydrophobicContact CE1-CE2 4.34Å; Y2009-Y2398 HydrophobicContact CE2-CE2 4.03Å; Y2009-Y2398 AromaticContact CG-CE2 3.99Å; Y2009-Y2398 HydrophobicContact CG-CE2 3.99Å; C2394-Y2398 WeakPolarHBondContact O-CD2 3.31Å; C2394-Y2398 PolarHBondContact O-N 3.22Å; L2395-Y2398 PolarHBondContact O-N 3.13Å; Y2398-R2401 PolarHBondContact O-N 3.49Å; Y2398-E2402 PolarHBondContact O-N 2.83Å; Y2398-E2402 VanDerWaalsContact O-N 3.1Å
2399L78.5Confident83.7Confident15 Ų1530.4 Ų30.48%0.07915%0.151CC..Hα-helixtrans-66.7-45.8179.6-178.2153.7000111.5I1361 R1364 T1365 I1368 I1956 L2395 D2396 R2401 E2402 A2403I1361-L2399 HydrophobicContact CG1-CD1 4.23Å; I1361-L2399 HydrophobicContact CG2-CD1 4.22Å; I1361-L2399 HydrophobicContact CG2-CD2 4.31Å; I1361-L2399 HydrophobicContact CG2-CG 4.04Å; R1364-L2399 HydrophobicContact CB-CD1 4.45Å; T1365-L2399 VanDerWaalsContact OG1-CD2 3.24Å; T1365-L2399 WeakPolarHBondContact OG1-CD2 2.98Å; I1368-L2399 HydrophobicContact CD1-CD2 4.41Å; I1956-L2399 HydrophobicContact CD1-CB 4.32Å; L2395-L2399 WeakPolarHBondContact O-CB 3.36Å; L2395-L2399 PolarHBondContact O-N 3.3Å; D2396-L2399 PolarHBondContact O-N 2.93Å; L2399-R2401 VanDerWaalsContact C-N 3.3Å; L2399-R2401 PolarHBondContact O-N 2.91Å; L2399-E2402 PolarHBondContact O-N 3.31Å; L2399-A2403 WeakPolarHBondContact O-CB 3.4Å; L2399-A2403 PolarHBondContact O-N 3.07Å
2400V83.4Confident84Confident0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-62.8-35.1175.9164.60000111.8D2396 A2403 K2404 D2405 L2408 E2409 L2412D2396-V2400 VanDerWaalsContact O-CB 3.24Å; D2396-V2400 WeakPolarHBondContact O-CB 3.3Å; D2396-V2400 WeakPolarHBondContact O-CG2 3.29Å; D2396-V2400 PolarHBondContact O-N 2.97Å; V2400-A2403 CarbonylContact O-C 3.58Å; V2400-A2403 PolarHBondContact O-N 2.91Å; V2400-K2404 PolarHBondContact O-N 3.41Å; V2400-K2404 VanDerWaalsContact O-N 3.09Å; V2400-D2405 HydrophobicContact CG1-CB 4.16Å; V2400-D2405 WeakPolarHBondContact CG1-O 3.46Å; V2400-D2405 PolarHBondContact O-N 2.93Å; V2400-D2405 VanDerWaalsContact O-N 3.08Å; V2400-L2408 HydrophobicContact CG1-CB 3.78Å; V2400-L2408 HydrophobicContact CG1-CD2 4.19Å; V2400-L2408 HydrophobicContact CG1-CG 3.94Å; V2400-L2408 HydrophobicContact CG2-CD2 3.71Å; V2400-L2408 HydrophobicContact CG2-CG 4.02Å; V2400-E2409 HydrophobicContact CG1-CB 4.17Å; V2400-L2412 HydrophobicContact CG2-CD1 3.95Å
2401R86.4Confident83.8Confident13 Ų1333.2 Ų33.25%0.04917%0.165CC..Hα-helixtrans-65.5-47.4172.7-179.2-177.7-64.8161.6-3.4112.9T1993 M1997 I2397 Y2398 L2399 A2403 K2404 E2409T1993-R2401 HydrophobicContact CG2-CG 4.24Å; M1997-R2401 PolarHBondContact SD-NH2 2.95Å; I2397-R2401 WeakPolarHBondContact O-CB 3.29Å; I2397-R2401 PolarHBondContact O-N 3.44Å; Y2398-R2401 PolarHBondContact O-N 3.49Å; L2399-R2401 VanDerWaalsContact C-N 3.3Å; L2399-R2401 PolarHBondContact O-N 2.91Å; R2401-A2403 VanDerWaalsContact C-N 3.28Å; R2401-A2403 PolarHBondContact O-N 3.5Å; R2401-K2404 WeakPolarHBondContact O-CA 3.32Å; R2401-K2404 PolarHBondContact O-N 3.03Å; R2401-E2409 IonicContact CZ-OE1 2.78Å; R2401-E2409 VanDerWaalsContact CZ-OE1 3.24Å; R2401-E2409 IonicContact NE-OE1 3.75Å; R2401-E2409 PolarHBondContact NE-OE1 3.3Å; R2401-E2409 IonicContact NH2-OE1 3.71Å; R2401-E2409 PolarHBondContact NH2-OE1 3.47Å
2402E76.5Confident83.9Confident58 Ų5833.2 Ų33.227%0.27117%0.165SC..Hα-helixtrans-69.3-28.1177.7-168.3158.7-140.200111.9K1891 L1954 C1955 I1956 Y2398 L2399 K2404K1891-E2402 IonicContact NZ-OE1 2.69Å; K1891-E2402 PolarHBondContact NZ-OE1 3.19Å; L1954-E2402 HydrophobicContact CD1-CG 4.39Å; L1954-E2402 WeakPolarHBondContact CD1-OE2 3.5Å; L1954-E2402 VanDerWaalsContact CG-OE2 3.3Å; L1954-E2402 WeakPolarHBondContact CG-OE2 3.35Å; C1955-E2402 PolarHBondContact N-OE1 3.09Å; C1955-E2402 PolarHBondContact N-OE2 3.44Å; I1956-E2402 WeakPolarHBondContact CG1-OE2 3.25Å; Y2398-E2402 PolarHBondContact O-N 2.83Å; Y2398-E2402 VanDerWaalsContact O-N 3.1Å; L2399-E2402 PolarHBondContact O-N 3.31Å; E2402-K2404 PolarHBondContact O-N 3.37Å
2403A78.5Confident84.3Confident49 Ų4932.4 Ų32.441%0.40516%0.161SC..THydrogen-bonded Turntrans-74-6.7167.900000114.6T1365 L2399 V2400 R2401 D2405T1365-A2403 HydrophobicContact CG2-CB 3.96Å; L2399-A2403 WeakPolarHBondContact O-CB 3.4Å; L2399-A2403 PolarHBondContact O-N 3.07Å; V2400-A2403 CarbonylContact O-C 3.58Å; V2400-A2403 PolarHBondContact O-N 2.91Å; R2401-A2403 VanDerWaalsContact C-N 3.28Å; R2401-A2403 PolarHBondContact O-N 3.5Å; A2403-D2405 VanDerWaalsContact C-N 3.32Å; A2403-D2405 PolarHBondContact O-N 2.91Å
2404K83.3Confident84.3Confident118 Ų11832.3 Ų32.351%0.51316%0.162SC..THydrogen-bonded Turntrans59.827.4-179.9-48.9-164.4-175.5-163.10115.9D1994 V2400 R2401 E2402 F2406D1994-K2404 WeakPolarHBondContact OD2-CE 3.27Å; D1994-K2404 IonicContact OD2-NZ 3.24Å; D1994-K2404 PolarHBondContact OD2-NZ 2.99Å; V2400-K2404 PolarHBondContact O-N 3.41Å; V2400-K2404 VanDerWaalsContact O-N 3.09Å; R2401-K2404 WeakPolarHBondContact O-CA 3.32Å; R2401-K2404 PolarHBondContact O-N 3.03Å; E2402-K2404 PolarHBondContact O-N 3.37Å; K2404-F2406 HydrophobicContact CB-CE1 4.49Å; K2404-F2406 HydrophobicContact CB-CE2 4.18Å; K2404-F2406 HydrophobicContact CB-CZ 3.92Å; K2404-F2406 HydrophobicContact CG-CZ 4.36Å; K2404-F2406 PolarHBondContact O-N 3.37Å
2405D85Confident84.3Confident18 Ų1832.7 Ų32.710%0.09616%0.163CC..  trans-88.481173.1-172.6-9000110.8R1369 V2400 A2403 M2407 L2408 E2409R1369-D2405 IonicContact CZ-OD2 3.52Å; R1369-D2405 VanDerWaalsContact CZ-OD2 3.24Å; R1369-D2405 IonicContact NE-OD2 2.67Å; R1369-D2405 PolarHBondContact NE-OD2 2.71Å; R1369-D2405 IonicContact NH2-OD2 3.33Å; R1369-D2405 PolarHBondContact NH2-OD2 3.01Å; V2400-D2405 HydrophobicContact CG1-CB 4.16Å; V2400-D2405 WeakPolarHBondContact CG1-O 3.46Å; V2400-D2405 PolarHBondContact O-N 2.93Å; V2400-D2405 VanDerWaalsContact O-N 3.08Å; A2403-D2405 VanDerWaalsContact C-N 3.32Å; A2403-D2405 PolarHBondContact O-N 2.91Å; D2405-M2407 VanDerWaalsContact C-N 3.31Å; D2405-M2407 PolarHBondContact O-N 3.46Å; D2405-L2408 HydrophobicContact CB-CB 4.36Å; D2405-L2408 PolarHBondContact O-N 2.7Å; D2405-L2408 PolarHBondContact OD1-N 3.44Å; D2405-E2409 PolarHBondContact O-N 3.21Å; D2405-E2409 VanDerWaalsContact O-N 3.08Å
2406F86.6Confident84.6Confident69 Ų6930.4 Ų30.430%0.30315%0.151SC..Hα-helixtrans-69.4-19.1-171.2-61.3-51.4000115.6D1994 S1996 K2404 Q2410D1994-F2406 HydrophobicContact CB-CE1 4.49Å; D1994-F2406 HydrophobicContact CB-CZ 3.94Å; D1994-F2406 WeakPolarHBondContact O-CE1 3.38Å; S1996-F2406 PolarHBondContact OG-O 2.97Å; K2404-F2406 HydrophobicContact CB-CE1 4.49Å; K2404-F2406 HydrophobicContact CB-CE2 4.18Å; K2404-F2406 HydrophobicContact CB-CZ 3.92Å; K2404-F2406 HydrophobicContact CG-CZ 4.36Å; K2404-F2406 PolarHBondContact O-N 3.37Å; F2406-Q2410 WeakPolarHBondContact O-CG 3.44Å; F2406-Q2410 PolarHBondContact O-NE2 3.3Å
2407M84.5Confident84.9Confident142 Ų14231.2 Ų31.270%0.716%0.155SC*.Hα-helixtrans-74.7-48.4174.2-62.8-166.8-58.900109.7D2405 E2409 Q2410 D2411D2405-M2407 VanDerWaalsContact C-N 3.31Å; D2405-M2407 PolarHBondContact O-N 3.46Å; M2407-E2409 PolarHBondContact O-N 3.43Å; M2407-Q2410 PolarHBondContact O-N 2.91Å; M2407-D2411 PolarHBondContact O-N 2.95Å; M2407-D2411 VanDerWaalsContact O-N 3.08Å
2408L85.6Confident85Confident7 Ų732.1 Ų32.14%0.03716%0.159CC..Hα-helixtrans-62.7-29.7176.5-171.760.2000112.4I1368 R1369 Y1372 V2400 D2405 L2412I1368-L2408 HydrophobicContact CG2-CD1 4.26Å; I1368-L2408 HydrophobicContact CG2-CD2 3.98Å; I1368-L2408 HydrophobicContact CG2-CG 4.42Å; R1369-L2408 HydrophobicContact CB-CD2 4.22Å; Y1372-L2408 HydrophobicContact CD1-CD1 4.25Å; Y1372-L2408 HydrophobicContact CG-CD1 4.06Å; V2400-L2408 HydrophobicContact CG1-CB 3.78Å; V2400-L2408 HydrophobicContact CG1-CD2 4.19Å; V2400-L2408 HydrophobicContact CG1-CG 3.94Å; V2400-L2408 HydrophobicContact CG2-CD2 3.71Å; V2400-L2408 HydrophobicContact CG2-CG 4.02Å; D2405-L2408 HydrophobicContact CB-CB 4.36Å; D2405-L2408 PolarHBondContact O-N 2.7Å; D2405-L2408 PolarHBondContact OD1-N 3.44Å; L2408-L2412 HydrophobicContact CD1-CD1 4.35Å; L2408-L2412 HydrophobicContact CD1-CG 4.17Å; L2408-L2412 HydrophobicContact CG-CD1 4.09Å; L2408-L2412 HydrophobicContact CG-CG 4.37Å; L2408-L2412 WeakPolarHBondContact O-CB 3.02Å; L2408-L2412 VanDerWaalsContact O-CG 3.27Å; L2408-L2412 WeakPolarHBondContact O-CG 3.44Å; L2408-L2412 PolarHBondContact O-N 3.02Å
2409E87.9Confident85.2Confident0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-58.4-46.2170.3-179.7-177.4-143.400112.1T1995 S1996 M1997 V2400 R2401 D2405 M2407 F2413T1995-E2409 VanDerWaalsContact OG1-CD 3.32Å; T1995-E2409 PolarHBondContact OG1-OE1 3.24Å; T1995-E2409 PolarHBondContact OG1-OE2 3.33Å; S1996-E2409 PolarHBondContact N-OE2 3.03Å; S1996-E2409 PolarHBondContact OG-OE2 3.13Å; M1997-E2409 HydrophobicContact CE-CG 3.54Å; M1997-E2409 HydrophobicContact CG-CG 4.3Å; V2400-E2409 HydrophobicContact CG1-CB 4.17Å; R2401-E2409 IonicContact CZ-OE1 2.78Å; R2401-E2409 VanDerWaalsContact CZ-OE1 3.24Å; R2401-E2409 IonicContact NE-OE1 3.75Å; R2401-E2409 PolarHBondContact NE-OE1 3.3Å; R2401-E2409 IonicContact NH2-OE1 3.71Å; R2401-E2409 PolarHBondContact NH2-OE1 3.47Å; D2405-E2409 PolarHBondContact O-N 3.21Å; D2405-E2409 VanDerWaalsContact O-N 3.08Å; M2407-E2409 PolarHBondContact O-N 3.43Å; E2409-F2413 WeakPolarHBondContact O-CB 3.3Å; E2409-F2413 PolarHBondContact O-N 3Å
2410Q86.8Confident85.7Confident42 Ų4230.9 Ų30.920%0.19615%0.154CC..Hα-helixtrans-71.3-40.4-178.1-65.5171.739.100111.5Y1390 S1996 F2406 M2407 F2413 A2414Y1390-Q2410 HydrophobicContact CD2-CG 3.93Å; Y1390-Q2410 HydrophobicContact CE2-CG 4.06Å; S1996-Q2410 VanDerWaalsContact CB-NE2 3.34Å; S1996-Q2410 WeakPolarHBondContact OG-CG 3.34Å; S1996-Q2410 PolarHBondContact OG-NE2 3.07Å; F2406-Q2410 WeakPolarHBondContact O-CG 3.44Å; F2406-Q2410 PolarHBondContact O-NE2 3.3Å; M2407-Q2410 PolarHBondContact O-N 2.91Å; Q2410-F2413 PolarHBondContact O-N 3.37Å; Q2410-A2414 PolarHBondContact O-N 2.86Å
2411D84.3Confident85.9Confident33 Ų3339.9 Ų39.918%0.17619%0.188CC..Hα-helixtrans-69.9-42.6-178.6-76.2-26.7000112.9Y1372 M2407 F2413 A2414 K2415Y1372-D2411 HydrophobicContact CD1-CB 4.34Å; Y1372-D2411 HydrophobicContact CE1-CB 3.6Å; Y1372-D2411 VanDerWaalsContact CE1-OD2 3.26Å; Y1372-D2411 WeakPolarHBondContact CE1-OD2 3.47Å; Y1372-D2411 HydrophobicContact CE2-CB 4.16Å; M2407-D2411 PolarHBondContact O-N 2.95Å; M2407-D2411 VanDerWaalsContact O-N 3.08Å; D2411-F2413 VanDerWaalsContact C-N 3.28Å; D2411-F2413 PolarHBondContact O-N 3.05Å; D2411-A2414 PolarHBondContact O-N 2.92Å; D2411-K2415 PolarHBondContact O-N 3.45Å
2412L87.2Confident85.9Confident8 Ų839.7 Ų39.74%0.04219%0.189CC..Hα-helixtrans-65.1-33.3172.9-70.1174000111.9I1368 D2396 I2397 V2400 L2408 K2415 L2416I1368-L2412 HydrophobicContact CG2-CD1 4.18Å; I1368-L2412 HydrophobicContact CG2-CD2 4.45Å; D2396-L2412 HydrophobicContact CB-CD1 4.16Å; I2397-L2412 HydrophobicContact CD1-CB 4.21Å; I2397-L2412 HydrophobicContact CG1-CB 3.62Å; I2397-L2412 HydrophobicContact CG1-CD1 4.37Å; V2400-L2412 HydrophobicContact CG2-CD1 3.95Å; L2408-L2412 HydrophobicContact CD1-CD1 4.35Å; L2408-L2412 HydrophobicContact CD1-CG 4.17Å; L2408-L2412 HydrophobicContact CG-CD1 4.09Å; L2408-L2412 HydrophobicContact CG-CG 4.37Å; L2408-L2412 WeakPolarHBondContact O-CB 3.02Å; L2408-L2412 VanDerWaalsContact O-CG 3.27Å; L2408-L2412 WeakPolarHBondContact O-CG 3.44Å; L2408-L2412 PolarHBondContact O-N 3.02Å; L2412-K2415 WeakPolarHBondContact O-CB 3.5Å; L2412-K2415 PolarHBondContact O-N 2.94Å; L2412-L2416 PolarHBondContact O-N 2.77Å
2413F89Confident86.4Confident0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-71.3-37.5174.1-178.4-115.7000112.6M1997 D2001 N2004 M2005 I2397 E2409 Q2410 D2411 K2415 L2416 I2417M1997-F2413 HydrophobicContact CE-CB 3.6Å; M1997-F2413 HydrophobicContact CE-CD1 4.38Å; M1997-F2413 HydrophobicContact CE-CD2 3.98Å; M1997-F2413 HydrophobicContact CE-CG 3.74Å; M1997-F2413 HydrophobicContact SD-CD1 4.49Å; M1997-F2413 HydrophobicContact SD-CD2 4.3Å; M1997-F2413 HydrophobicContact SD-CG 4.26Å; D2001-F2413 HydrophobicContact CB-CE1 3.6Å; D2001-F2413 HydrophobicContact CB-CZ 3.66Å; D2001-F2413 WeakPolarHBondContact O-CZ 3.39Å; N2004-F2413 HydrophobicContact CB-CZ 4.44Å; M2005-F2413 HydrophobicContact CB-CD2 4.12Å; M2005-F2413 HydrophobicContact CB-CE2 3.77Å; M2005-F2413 HydrophobicContact CG-CD2 4.04Å; M2005-F2413 HydrophobicContact CG-CE2 4.19Å; I2397-F2413 HydrophobicContact CD1-CB 4.41Å; E2409-F2413 WeakPolarHBondContact O-CB 3.3Å; E2409-F2413 PolarHBondContact O-N 3Å; Q2410-F2413 PolarHBondContact O-N 3.37Å; D2411-F2413 VanDerWaalsContact C-N 3.28Å; D2411-F2413 PolarHBondContact O-N 3.05Å; F2413-K2415 VanDerWaalsContact C-N 3.31Å; F2413-K2415 PolarHBondContact O-N 3.38Å; F2413-L2416 PolarHBondContact O-N 3.01Å; F2413-I2417 HydrophobicContact CD1-CD1 3.95Å; F2413-I2417 HydrophobicContact CE1-CD1 3.4Å; F2413-I2417 VanDerWaalsContact CE1-CD1 3.4Å; F2413-I2417 HydrophobicContact CE1-CG1 4.36Å; F2413-I2417 HydrophobicContact CE2-CD1 4.16Å; F2413-I2417 HydrophobicContact CE2-CG1 4.31Å; F2413-I2417 HydrophobicContact CZ-CD1 3.53Å; F2413-I2417 HydrophobicContact CZ-CG1 4.16Å; F2413-I2417 PolarHBondContact O-N 3.3Å
2414A86.8Confident86.7Confident4 Ų441 Ų413%0.03320%0.204CC..Hα-helixtrans-62.1-38.5170.200000111.8A1393 Q2410 D2411 I2417 F2418A1393-A2414 VanDerWaalsContact O-CB 3.22Å; A1393-A2414 WeakPolarHBondContact O-CB 3.4Å; Q2410-A2414 PolarHBondContact O-N 2.86Å; D2411-A2414 PolarHBondContact O-N 2.92Å; A2414-I2417 PolarHBondContact O-N 3.49Å; A2414-F2418 PolarHBondContact O-N 3.13Å
2415K86.6Confident86.8Confident8 Ų835.8 Ų35.84%0.03518%0.182CC..Hα-helixtrans-60.3-47.1171.6-169.4169.8-177.8170.80112.1M1401 F1402 Y1404 I2393 D2411 L2412 F2413 F2418 L2419M1401-K2415 HydrophobicContact CE-CB 3.78Å; M1401-K2415 HydrophobicContact CE-CG 3.89Å; M1401-K2415 HydrophobicContact CG-CB 4.47Å; M1401-K2415 HydrophobicContact CG-CD 3.7Å; M1401-K2415 HydrophobicContact CG-CG 3.87Å; M1401-K2415 WeakPolarHBondContact O-CE 3.41Å; M1401-K2415 HydrophobicContact SD-CB 3.61Å; M1401-K2415 HydrophobicContact SD-CD 3.86Å; M1401-K2415 HydrophobicContact SD-CG 3.68Å; F1402-K2415 HydrophobicContact CE1-CD 4.47Å; F1402-K2415 HydrophobicContact CE1-CG 3.68Å; F1402-K2415 HydrophobicContact CZ-CG 3.66Å; F1402-K2415 WeakPolarHBondContact CZ-O 3.44Å; Y1404-K2415 PolarHBondContact OH-NZ 2.83Å; Y1404-K2415 VanDerWaalsContact OH-NZ 3.09Å; I2393-K2415 HydrophobicContact CD1-CD 4.32Å; I2393-K2415 HydrophobicContact CD1-CG 4.3Å; D2411-K2415 PolarHBondContact O-N 3.45Å; L2412-K2415 WeakPolarHBondContact O-CB 3.5Å; L2412-K2415 PolarHBondContact O-N 2.94Å; F2413-K2415 VanDerWaalsContact C-N 3.31Å; F2413-K2415 PolarHBondContact O-N 3.38Å; K2415-F2418 PolarHBondContact O-N 3.37Å; K2415-L2419 PolarHBondContact O-N 3.33Å; K2415-L2419 VanDerWaalsContact O-N 3.15Å
2416L88.7Confident86.9Confident0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-61.7-45.6177-168.964.6000111.9M2005 F2008 I2393 I2397 L2412 F2413 L2419 F2420M2005-L2416 HydrophobicContact CG-CD2 4.5Å; F2008-L2416 HydrophobicContact CB-CD2 4.35Å; F2008-L2416 HydrophobicContact CD2-CD2 4.08Å; F2008-L2416 HydrophobicContact CD2-CG 4.44Å; I2393-L2416 HydrophobicContact CB-CD1 4.48Å; I2393-L2416 HydrophobicContact CG2-CB 4.08Å; I2393-L2416 HydrophobicContact CG2-CD1 3.99Å; I2393-L2416 HydrophobicContact CG2-CG 4.47Å; I2397-L2416 HydrophobicContact CD1-CD2 4.19Å; L2412-L2416 PolarHBondContact O-N 2.77Å; F2413-L2416 PolarHBondContact O-N 3.01Å; L2416-L2419 PolarHBondContact O-N 2.88Å; L2416-F2420 HydrophobicContact CD1-CD2 4.16Å; L2416-F2420 HydrophobicContact CD1-CE2 3.73Å; L2416-F2420 HydrophobicContact CG-CD2 4.1Å; L2416-F2420 HydrophobicContact CG-CE2 3.99Å; L2416-F2420 WeakPolarHBondContact O-CD2 3.17Å; L2416-F2420 PolarHBondContact O-N 3.48Å; L2416-F2420 VanDerWaalsContact O-N 3.15Å
2417I89Confident86.9Confident38 Ų3837.2 Ų37.220%0.19519%0.191CC..Hα-helixtrans-60.8-46.3177.1-78.3177.5000111.9K1394 F2413 A2414 L2419 F2420 R2421K1394-I2417 HydrophobicContact CD-CD1 4.49Å; K1394-I2417 HydrophobicContact CG-CD1 3.98Å; F2413-I2417 HydrophobicContact CD1-CD1 3.95Å; F2413-I2417 HydrophobicContact CE1-CD1 3.4Å; F2413-I2417 VanDerWaalsContact CE1-CD1 3.4Å; F2413-I2417 HydrophobicContact CE1-CG1 4.36Å; F2413-I2417 HydrophobicContact CE2-CD1 4.16Å; F2413-I2417 HydrophobicContact CE2-CG1 4.31Å; F2413-I2417 HydrophobicContact CZ-CD1 3.53Å; F2413-I2417 HydrophobicContact CZ-CG1 4.16Å; F2413-I2417 PolarHBondContact O-N 3.3Å; A2414-I2417 PolarHBondContact O-N 3.49Å; I2417-L2419 VanDerWaalsContact C-N 3.34Å; I2417-L2419 PolarHBondContact O-N 2.94Å; I2417-F2420 PolarHBondContact O-N 3.33Å; I2417-R2421 WeakPolarHBondContact O-CB 3.45Å; I2417-R2421 PolarHBondContact O-N 3.43Å
2418F88.4Confident86.8Confident20 Ų2037.6 Ų37.69%0.08819%0.191CC..Hα-helixtrans-63.5-42.3-179-176.9-86.7000111.7G1397 Y1399 F1402 A2414 K2415 F2420 R2421 S2422G1397-F2418 WeakPolarHBondContact O-CD2 3.4Å; G1397-F2418 WeakPolarHBondContact O-CE2 3.44Å; Y1399-F2418 HydrophobicContact CD1-CE1 4.16Å; Y1399-F2418 HydrophobicContact CD1-CZ 4.12Å; Y1399-F2418 AromaticContact CD2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CD2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CE1-CE1 4.31Å; Y1399-F2418 HydrophobicContact CE1-CZ 4.12Å; Y1399-F2418 AromaticContact CE2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CE2-CZ 3.89Å; Y1399-F2418 HydrophobicContact CG-CE1 4.34Å; Y1399-F2418 AromaticContact CG-CZ 4Å; Y1399-F2418 HydrophobicContact CG-CZ 4Å; F1402-F2418 HydrophobicContact CD2-CD1 4.03Å; F1402-F2418 HydrophobicContact CD2-CE1 4.16Å; F1402-F2418 HydrophobicContact CE2-CB 4.34Å; F1402-F2418 AromaticContact CE2-CD1 3.26Å; F1402-F2418 HydrophobicContact CE2-CD1 3.26Å; F1402-F2418 AromaticContact CE2-CE1 3.83Å; F1402-F2418 HydrophobicContact CE2-CE1 3.83Å; F1402-F2418 HydrophobicContact CE2-CG 4.08Å; F1402-F2418 HydrophobicContact CZ-CB 4.35Å; F1402-F2418 AromaticContact CZ-CD1 3.87Å; F1402-F2418 HydrophobicContact CZ-CD1 3.87Å; A2414-F2418 PolarHBondContact O-N 3.13Å; K2415-F2418 PolarHBondContact O-N 3.37Å; F2418-F2420 PolarHBondContact O-N 2.84Å; F2418-R2421 CarbonylContact O-C 3.59Å; F2418-R2421 WeakPolarHBondContact O-CA 3.44Å; F2418-R2421 WeakPolarHBondContact O-CB 3.28Å; F2418-R2421 PolarHBondContact O-N 2.7Å; F2418-S2422 PolarHBondContact O-N 3.32Å
2419L87.2Confident86.7Confident1 Ų138 Ų381%0.00519%0.192CC..Hα-helixtrans-63-43.1179.8-169.2155.6000111.1F1402 L2390 K2415 L2416 I2417 R2421 S2422 L2426 W2429F1402-L2419 HydrophobicContact CD1-CD1 4.06Å; F1402-L2419 HydrophobicContact CE1-CB 3.89Å; F1402-L2419 HydrophobicContact CE1-CD1 3.72Å; F1402-L2419 HydrophobicContact CE1-CG 4.25Å; F1402-L2419 HydrophobicContact CZ-CB 4.06Å; L2390-L2419 HydrophobicContact CD2-CD1 4.04Å; L2390-L2419 HydrophobicContact CD2-CD2 3.49Å; L2390-L2419 VanDerWaalsContact CD2-CD2 3.49Å; L2390-L2419 HydrophobicContact CD2-CG 4.42Å; K2415-L2419 PolarHBondContact O-N 3.33Å; K2415-L2419 VanDerWaalsContact O-N 3.15Å; L2416-L2419 PolarHBondContact O-N 2.88Å; I2417-L2419 VanDerWaalsContact C-N 3.34Å; I2417-L2419 PolarHBondContact O-N 2.94Å; L2419-R2421 PolarHBondContact O-N 3.41Å; L2419-S2422 PolarHBondContact O-N 2.68Å; L2419-L2426 HydrophobicContact CD2-CB 3.81Å; L2419-L2426 HydrophobicContact CD2-CD1 3.43Å; L2419-L2426 VanDerWaalsContact CD2-CD1 3.43Å; L2419-L2426 HydrophobicContact CD2-CG 4.16Å; L2419-W2429 HydrophobicContact CD1-CB 4.28Å; L2419-W2429 HydrophobicContact CD1-CD2 3.83Å; L2419-W2429 HydrophobicContact CD1-CE3 3.4Å; L2419-W2429 HydrophobicContact CD1-CG 4.22Å; L2419-W2429 HydrophobicContact CD1-CZ3 3.99Å
2420F87.6Confident86.6Confident21 Ų2138 Ų389%0.09219%0.193CC..Hα-helixtrans-67.1-21.9172.5-80.2-62.3000114.1F2008 I2012 F2381 L2416 I2417 F2418F2008-F2420 HydrophobicContact CB-CE2 3.82Å; F2008-F2420 HydrophobicContact CB-CZ 4.28Å; F2008-F2420 AromaticContact CD1-CD2 3.74Å; F2008-F2420 HydrophobicContact CD1-CD2 3.74Å; F2008-F2420 HydrophobicContact CD1-CE1 4.42Å; F2008-F2420 AromaticContact CD1-CE2 3.54Å; F2008-F2420 HydrophobicContact CD1-CE2 3.54Å; F2008-F2420 HydrophobicContact CD1-CG 4.28Å; F2008-F2420 AromaticContact CD1-CZ 3.91Å; F2008-F2420 HydrophobicContact CD1-CZ 3.91Å; F2008-F2420 HydrophobicContact CD2-CD2 4.16Å; F2008-F2420 HydrophobicContact CD2-CE2 4.14Å; F2008-F2420 HydrophobicContact CE1-CB 4.48Å; F2008-F2420 AromaticContact CE1-CD2 3.81Å; F2008-F2420 HydrophobicContact CE1-CD2 3.81Å; F2008-F2420 HydrophobicContact CE1-CE2 4.11Å; F2008-F2420 HydrophobicContact CE1-CG 4.04Å; F2008-F2420 HydrophobicContact CE2-CD2 4.22Å; F2008-F2420 AromaticContact CG-CD2 3.95Å; F2008-F2420 HydrophobicContact CG-CD2 3.95Å; F2008-F2420 AromaticContact CG-CE2 3.58Å; F2008-F2420 HydrophobicContact CG-CE2 3.58Å; F2008-F2420 HydrophobicContact CG-CZ 4.25Å; F2008-F2420 HydrophobicContact CZ-CD2 4.06Å; F2008-F2420 HydrophobicContact CZ-CG 4.42Å; I2012-F2420 HydrophobicContact CD1-CE2 4.29Å; I2012-F2420 HydrophobicContact CD1-CZ 3.97Å; I2012-F2420 HydrophobicContact CG1-CZ 4.19Å; F2381-F2420 AromaticContact CD1-CD1 3.72Å; F2381-F2420 HydrophobicContact CD1-CD1 3.72Å; F2381-F2420 AromaticContact CD1-CE1 3.99Å; F2381-F2420 HydrophobicContact CD1-CE1 3.99Å; F2381-F2420 AromaticContact CE1-CD1 3.72Å; F2381-F2420 HydrophobicContact CE1-CD1 3.72Å; F2381-F2420 HydrophobicContact CE1-CE1 4.44Å; L2416-F2420 HydrophobicContact CD1-CD2 4.16Å; L2416-F2420 HydrophobicContact CD1-CE2 3.73Å; L2416-F2420 HydrophobicContact CG-CD2 4.1Å; L2416-F2420 HydrophobicContact CG-CE2 3.99Å; L2416-F2420 WeakPolarHBondContact O-CD2 3.17Å; L2416-F2420 PolarHBondContact O-N 3.48Å; L2416-F2420 VanDerWaalsContact O-N 3.15Å; I2417-F2420 PolarHBondContact O-N 3.33Å; F2418-F2420 PolarHBondContact O-N 2.84Å
2421R87.7Confident86.3Confident189 Ų18945 Ų4571%0.71322%0.217SC*.Hα-helixtrans-81.1-20.3175.8-171.9179.1179-160.4-2.5113.3I2417 F2418 L2419I2417-R2421 WeakPolarHBondContact O-CB 3.45Å; I2417-R2421 PolarHBondContact O-N 3.43Å; F2418-R2421 CarbonylContact O-C 3.59Å; F2418-R2421 WeakPolarHBondContact O-CA 3.44Å; F2418-R2421 WeakPolarHBondContact O-CB 3.28Å; F2418-R2421 PolarHBondContact O-N 2.7Å; L2419-R2421 PolarHBondContact O-N 3.41Å
2422S87.4Confident85.6Confident9 Ų949.6 Ų49.66%0.06324%0.239CC..  trans-120.298.5-175.9175.50000111.6F2418 L2419 A2424 T2425 L2426F2418-S2422 PolarHBondContact O-N 3.32Å; L2419-S2422 PolarHBondContact O-N 2.68Å; S2422-A2424 PolarHBondContact O-N 3.35Å; S2422-T2425 WeakPolarHBondContact CB-OG1 3.06Å; S2422-T2425 PolarHBondContact O-N 3.01Å; S2422-T2425 PolarHBondContact O-OG1 3.08Å; S2422-T2425 PolarHBondContact OG-OG1 3.08Å; S2422-L2426 PolarHBondContact O-N 3.38Å; S2422-L2426 VanDerWaalsContact O-N 3.1Å
2423P86.1Confident84.2Confident63 Ų6351.8 Ų51.841%0.40926%0.255SS..Hα-helixtrans-60.3-31.1-177.1-22.231.1000113.9M2380 L2426 I2427M2380-P2423 HydrophobicContact CE-CB 3.99Å; M2380-P2423 HydrophobicContact CE-CG 3.7Å; P2423-L2426 PolarHBondContact O-N 2.9Å; P2423-I2427 VanDerWaalsContact O-CG1 3.3Å; P2423-I2427 WeakPolarHBondContact O-CG1 3.46Å; P2423-I2427 PolarHBondContact O-N 3.09Å
2424A85.4Confident82.5Confident70 Ų7060 Ų6058%0.57929%0.291SS*.Hα-helixtrans-65.8-50.8-179.800000111.5S2422 L2426 I2427 E2428S2422-A2424 PolarHBondContact O-N 3.35Å; A2424-L2426 VanDerWaalsContact C-N 3.32Å; A2424-L2426 PolarHBondContact O-N 3.05Å; A2424-I2427 PolarHBondContact O-N 2.66Å; A2424-E2428 PolarHBondContact O-N 3.09Å
2425T85.5Confident80.5Confident9 Ų967.7 Ų67.76%0.05532%0.324CS..Hα-helixtrans-66.4-34.2176.745.80000111.9Y1399 S2422 E2428 W2429Y1399-T2425 HydrophobicContact CD1-CG2 3.78Å; Y1399-T2425 HydrophobicContact CE1-CG2 3.98Å; S2422-T2425 WeakPolarHBondContact CB-OG1 3.06Å; S2422-T2425 PolarHBondContact O-N 3.01Å; S2422-T2425 PolarHBondContact O-OG1 3.08Å; S2422-T2425 PolarHBondContact OG-OG1 3.08Å; T2425-E2428 PolarHBondContact O-N 2.81Å; T2425-W2429 WeakPolarHBondContact O-CB 3.32Å; T2425-W2429 PolarHBondContact O-N 3.29Å
2426L87.2Confident78.5Confident1 Ų176.1 Ų76.11%0.00536%0.36CS..Hα-helixtrans-60-45.4173.3171.559.3000111.7M2380 F2381 L2384 L2390 L2419 S2422 P2423 A2424 T2430M2380-L2426 HydrophobicContact CE-CD2 4.43Å; M2380-L2426 WeakPolarHBondContact O-CD2 3.3Å; F2381-L2426 HydrophobicContact CD1-CD2 4.11Å; F2381-L2426 HydrophobicContact CE1-CD2 4.41Å; L2384-L2426 HydrophobicContact CD1-CD1 4.05Å; L2384-L2426 HydrophobicContact CD2-CD1 3.79Å; L2384-L2426 HydrophobicContact CD2-CD2 4.23Å; L2384-L2426 HydrophobicContact CD2-CG 3.92Å; L2390-L2426 HydrophobicContact CD1-CD1 3.98Å; L2390-L2426 HydrophobicContact CD2-CD1 4.37Å; L2419-L2426 HydrophobicContact CD2-CB 3.81Å; L2419-L2426 HydrophobicContact CD2-CD1 3.43Å; L2419-L2426 VanDerWaalsContact CD2-CD1 3.43Å; L2419-L2426 HydrophobicContact CD2-CG 4.16Å; S2422-L2426 PolarHBondContact O-N 3.38Å; S2422-L2426 VanDerWaalsContact O-N 3.1Å; P2423-L2426 PolarHBondContact O-N 2.9Å; A2424-L2426 VanDerWaalsContact C-N 3.32Å; A2424-L2426 PolarHBondContact O-N 3.05Å; L2426-T2430 HydrophobicContact CD1-CG2 3.88Å; L2426-T2430 WeakPolarHBondContact O-CB 3.39Å; L2426-T2430 VanDerWaalsContact O-CG2 3.29Å; L2426-T2430 WeakPolarHBondContact O-CG2 3.47Å; L2426-T2430 PolarHBondContact O-N 3.46Å; L2426-T2430 PolarHBondContact O-OG1 3.24Å
2427I86Confident76Confident116 Ų11685.3 Ų85.360%0.59540%0.403SS*.Hα-helixtrans-68.9-40.9179-69.8165.8000111.6P2423 A2424P2423-I2427 VanDerWaalsContact O-CG1 3.3Å; P2423-I2427 WeakPolarHBondContact O-CG1 3.46Å; P2423-I2427 PolarHBondContact O-N 3.09Å; A2424-I2427 PolarHBondContact O-N 2.66Å
2428E82.9Confident73.3Confident150 Ų15094.2 Ų94.270%0.70144%0.444SS*.Hα-helixtrans-62.3-46.2177.7-174.8166.1-150.700111.7A2424 T2425 T2430A2424-E2428 PolarHBondContact O-N 3.09Å; T2425-E2428 PolarHBondContact O-N 2.81Å; E2428-T2430 PolarHBondContact O-N 2.69Å
2429W82Confident72.6Confident15 Ų1598 Ų986%0.05746%0.462CS..Hα-helixtrans-80.7-9.7-174.8-150.570.9000114.6H2389 L2390 I2393 L2419 T2425H2389-W2429 HydrophobicContact CB-CD2 4.17Å; H2389-W2429 HydrophobicContact CB-CE3 3.68Å; H2389-W2429 HydrophobicContact CB-CH2 3.58Å; H2389-W2429 HydrophobicContact CB-CZ2 4.07Å; H2389-W2429 HydrophobicContact CB-CZ3 3.39Å; H2389-W2429 VanDerWaalsContact O-CH2 3.27Å; H2389-W2429 WeakPolarHBondContact O-CH2 3.42Å; H2389-W2429 VanDerWaalsContact O-CZ3 3.28Å; H2389-W2429 WeakPolarHBondContact O-CZ3 3.1Å; L2390-W2429 HydrophobicContact CD2-CE3 3.99Å; L2390-W2429 HydrophobicContact CD2-CZ3 3.96Å; L2390-W2429 HydrophobicContact CG-CZ3 4.48Å; I2393-W2429 HydrophobicContact CD1-CH2 3.34Å; I2393-W2429 HydrophobicContact CD1-CZ2 4.23Å; I2393-W2429 HydrophobicContact CD1-CZ3 3.68Å; I2393-W2429 HydrophobicContact CG1-CH2 3.81Å; I2393-W2429 HydrophobicContact CG1-CZ3 4.35Å; L2419-W2429 HydrophobicContact CD1-CB 4.28Å; L2419-W2429 HydrophobicContact CD1-CD2 3.83Å; L2419-W2429 HydrophobicContact CD1-CE3 3.4Å; L2419-W2429 HydrophobicContact CD1-CG 4.22Å; L2419-W2429 HydrophobicContact CD1-CZ3 3.99Å; T2425-W2429 WeakPolarHBondContact O-CB 3.32Å; T2425-W2429 PolarHBondContact O-N 3.29Å
2430T86.3Confident71.8Confident1 Ų1103.1 Ų103.11%0.00649%0.486CS..THydrogen-bonded Turntrans-110.48.8178.157.30000113.8L2384 P2385 N2386 L2390 L2426 E2428L2384-T2430 HydrophobicContact CD1-CG2 4.46Å; L2384-T2430 HydrophobicContact CD2-CG2 4.31Å; P2385-T2430 WeakPolarHBondContact CD-O 3.44Å; P2385-T2430 VanDerWaalsContact CG-O 3.31Å; P2385-T2430 WeakPolarHBondContact CG-O 3.37Å; N2386-T2430 WeakPolarHBondContact CB-O 3.49Å; N2386-T2430 PolarHBondContact N-O 3.21Å; N2386-T2430 WeakPolarHBondContact O-CB 3.23Å; N2386-T2430 WeakPolarHBondContact O-CG2 3.45Å; L2390-T2430 HydrophobicContact CD1-CG2 3.79Å; L2390-T2430 HydrophobicContact CG-CG2 4.07Å; L2426-T2430 HydrophobicContact CD1-CG2 3.88Å; L2426-T2430 WeakPolarHBondContact O-CB 3.39Å; L2426-T2430 VanDerWaalsContact O-CG2 3.29Å; L2426-T2430 WeakPolarHBondContact O-CG2 3.47Å; L2426-T2430 PolarHBondContact O-N 3.46Å; L2426-T2430 PolarHBondContact O-OG1 3.24Å; E2428-T2430 PolarHBondContact O-N 2.69Å
2431R81Confident71Confident189 Ų189107.6 Ų107.671%0.71351%0.508SS*.PPolyproline II helixtrans-72.5140.8-176.5-173.4177.7-180177.22112.5S2433R2431-S2433 PolarHBondContact O-N 2.73Å
2432M70.3Confident70Confident130 Ų130102.8 Ų102.864%0.6450%0.496SS*.PPolyproline II helixtrans-72.2119.9167.5-69-79.5-80.800110.4P2385 N2386P2385-M2432 HydrophobicContact CB-CG 4.07Å; N2386-M2432 HydrophobicContact CB-SD 4.27Å
2433S58.2Low68.9Low54 Ų54108.7 Ų108.738%0.37852%0.523SS..PPolyproline II helixtrans-71.5144174.6-173.30000111.5E1407 R2431E1407-S2433 VanDerWaalsContact CD-OG 3.3Å; E1407-S2433 WeakPolarHBondContact OE1-CB 3.26Å; E1407-S2433 PolarHBondContact OE1-OG 3.24Å; E1407-S2433 VanDerWaalsContact OE2-CB 3.26Å; E1407-S2433 WeakPolarHBondContact OE2-CB 3.33Å; E1407-S2433 PolarHBondContact OE2-OG 3.23Å; R2431-S2433 PolarHBondContact O-N 2.73Å
2434K51.5Low67.7Low171 Ų171111.7 Ų111.774%0.74353%0.53SS*.SBendtrans-75.8-23.1179.9-78.4-171.2168.9-168.30113.6K2436 Q2437K2434-K2436 PolarHBondContact O-N 2.82Å; K2434-Q2437 PolarHBondContact O-N 3.13Å
2435K46Very low66.5Low167 Ų167114.7 Ų114.773%0.72653%0.527SS*.THydrogen-bonded Turntrans-74.77.8-164.2-76.5-177.2173.21770116.6
2436K43.9Very low65Low185 Ų185122.8 Ų122.880%0.80456%0.563SS**THydrogen-bonded Turntrans-111.812.4176.6-85.7-175.9174.11760113.9K2434K2434-K2436 PolarHBondContact O-N 2.82Å
2437Q36.6Very low63.1Low193 Ų193133 Ų13390%0.90261%0.61SS**  trans-130.17.7175.9-68.8-170.8-29.900113.6K2434K2434-Q2437 PolarHBondContact O-N 3.13Å
2438E33.3Very low61.1Low225 Ų225134.5 Ų134.5100%1.05161%0.611SS**  trans-111.80164.9-69.9175178.900107.9

Retrieved 2,438 of 2,438 residues in 1205.8 ms (Link to these results)

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