PIEZ1_CAEEL Loading...

Isoform d 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 A0A061ACU2-5 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,402 aa.

>PIEZ1_CAEEL|A0A061ACU2-5|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEELLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTTAPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low65.1Low204 Ų20467.2 Ų67.2100%1.00538%0.378SS*.  01310-78.8172.7163.400108.8L143M1-L143 HydrophobicContact CB-CD2 3.65Å; M1-L143 VanDerWaalsContact O-CD2 3.28Å; M1-L143 WeakPolarHBondContact O-CD2 3.49Å
2T44.2Very low66.5Low81 Ų8161.9 Ų61.950%0.49735%0.348SS..  trans-100.2135.9172.644.30000109.8R146T2-R146 HydrophobicContact CG2-CB 4.11Å
3V58.9Low67.2Low21 Ų2161.2 Ų61.213%0.12734%0.339CS..  trans-118130-171.3175.50000110.6L7 K8 I139 L143V3-L7 HydrophobicContact CG1-CB 3.95Å; V3-L7 HydrophobicContact CG1-CD2 3.64Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-K8 HydrophobicContact CG1-CG 4.11Å; V3-I139 HydrophobicContact CG1-CG2 4.46Å; V3-L143 HydrophobicContact CG2-CB 3.94Å; V3-L143 HydrophobicContact CG2-CD1 4.09Å; V3-L143 HydrophobicContact CG2-CD2 4.05Å; V3-L143 HydrophobicContact CG2-CG 4.24Å
4P65Low67.7Low79 Ų7965.3 Ų65.351%0.51336%0.359SS..  trans-64.7141.2-179.424-32.2000111.6L6 L7 K8P4-L6 PolarHBondContact O-N 3.28Å; P4-L6 VanDerWaalsContact O-N 3.08Å; P4-L7 HydrophobicContact CG-CB 4.1Å; P4-L7 WeakPolarHBondContact O-CB 3.3Å; P4-L7 PolarHBondContact O-N 3.34Å; P4-K8 PolarHBondContact O-N 2.82Å
5P62.5Low68.7Low25 Ų2566.5 Ų66.516%0.16236%0.364CS..Hα-helixtrans-62.4-22.4-176.623.1-33.2000113.3K8 S9 I48 K50P5-K8 PolarHBondContact O-N 2.85Å; P5-S9 WeakPolarHBondContact O-CB 3.36Å; P5-S9 PolarHBondContact O-N 3.18Å; P5-I48 HydrophobicContact CB-CG2 4.34Å; P5-K50 HydrophobicContact CG-CG 3.85Å
6L65Low69.8Low143 Ų14362.4 Ų62.475%0.74934%0.342SS*.Hα-helixtrans-66-39.6173.8-148.5159.8000111.1P4 S9 C10P4-L6 PolarHBondContact O-N 3.28Å; P4-L6 VanDerWaalsContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 3.2Å; L6-C10 WeakPolarHBondContact O-CB 3.35Å; L6-C10 PolarHBondContact O-N 2.91Å
7L73Confident70.5Confident88 Ų8858.8 Ų58.846%0.46132%0.322SS..Hα-helixtrans-66.9-47.1174.2-164.778.6000110.8V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 3.95Å; V3-L7 HydrophobicContact CG1-CD2 3.64Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; P4-L7 HydrophobicContact CG-CB 4.1Å; P4-L7 WeakPolarHBondContact O-CB 3.3Å; P4-L7 PolarHBondContact O-N 3.34Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 2.71Å; L7-C10 PolarHBondContact O-N 3.43Å; L7-V11 HydrophobicContact CG-CG2 4.47Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.32Å
8K77.1Confident71.2Confident8 Ų858.6 Ų58.64%0.03533%0.33CS..Hα-helixtrans-54.8-44.4174.5-63-166.1173.8-165.70111.7V3 P4 P5 C10 V12 I48 I139 L143V3-K8 HydrophobicContact CG1-CG 4.11Å; P4-K8 PolarHBondContact O-N 2.82Å; P5-K8 PolarHBondContact O-N 2.85Å; K8-C10 VanDerWaalsContact C-N 3.35Å; K8-C10 PolarHBondContact O-N 2.85Å; K8-V12 WeakPolarHBondContact O-CG2 3.44Å; K8-V12 PolarHBondContact O-N 2.91Å; K8-I48 HydrophobicContact CB-CD1 3.67Å; K8-I139 VanDerWaalsContact CE-O 3.28Å; K8-I139 WeakPolarHBondContact CE-O 3.39Å; K8-I139 HydrophobicContact CG-CG2 4.24Å; K8-L143 WeakPolarHBondContact CE-O 3.29Å; K8-L143 PolarHBondContact NZ-O 3.38Å
9S73.8Confident72Confident22 Ų2256.3 Ų56.315%0.15432%0.319CS..Hα-helixtrans-73.5-22.1178.6-170.10000114P5 L6 L7 K13P5-S9 WeakPolarHBondContact O-CB 3.36Å; P5-S9 PolarHBondContact O-N 3.18Å; L6-S9 PolarHBondContact O-N 3.2Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 2.71Å; S9-K13 WeakPolarHBondContact O-CB 3.49Å; S9-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 PolarHBondContact O-N 3.26Å
10C74.9Confident72.8Confident57 Ų5753.6 Ų53.639%0.38530%0.303SS..Hα-helixtrans-78.5-43.3174.9-163.40000110.8L6 L7 K8 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.35Å; L6-C10 PolarHBondContact O-N 2.91Å; L7-C10 PolarHBondContact O-N 3.43Å; K8-C10 VanDerWaalsContact C-N 3.35Å; K8-C10 PolarHBondContact O-N 2.85Å; C10-V12 PolarHBondContact O-N 2.67Å; C10-K13 PolarHBondContact O-N 3.38Å; C10-L14 WeakPolarHBondContact O-CB 3.34Å; C10-L14 PolarHBondContact O-N 3.14Å; C10-L15 PolarHBondContact O-N 3.48Å
11V82Confident73.3Confident11 Ų1152 Ų527%0.06729%0.294CS..Iπ-helixtrans-58.2-44.6177.2167.40000111.8L7 L15 L16 T136 I139L7-V11 HydrophobicContact CG-CG2 4.47Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.32Å; V11-L15 HydrophobicContact CG1-CD2 4.42Å; V11-L15 HydrophobicContact CG2-CD2 4.44Å; V11-L15 WeakPolarHBondContact O-CB 3.35Å; V11-L16 WeakPolarHBondContact O-CB 3.39Å; V11-L16 PolarHBondContact O-N 3.35Å; V11-T136 HydrophobicContact CG1-CG2 3.36Å; V11-I139 HydrophobicContact CG1-CB 4.48Å; V11-I139 HydrophobicContact CG1-CD1 4.25Å; V11-I139 HydrophobicContact CG1-CG2 4.44Å; V11-I139 HydrophobicContact CG2-CD1 4Å; V11-I139 HydrophobicContact CG2-CG2 4.32Å
12V81.7Confident75.4Confident4 Ų444 Ų442%0.02426%0.261CS..Iπ-helixtrans-72-34.3178.91740000113.6K8 C10 P17 S42 L45 V58 V140K8-V12 WeakPolarHBondContact O-CG2 3.44Å; K8-V12 PolarHBondContact O-N 2.91Å; C10-V12 PolarHBondContact O-N 2.67Å; V12-P17 WeakPolarHBondContact O-CD 3.49Å; V12-S42 PolarHBondContact O-OG 3.29Å; V12-L45 HydrophobicContact CG1-CD1 3.77Å; V12-V58 HydrophobicContact CG1-CG1 4.49Å; V12-V140 HydrophobicContact CG2-CG2 3.67Å
13K75.3Confident77.2Confident52 Ų5240.2 Ų40.223%0.22624%0.237CC..Iπ-helixtrans-103.3-10.2-169-66.9-175.7176.1175.40115.6S9 C10 P17 L45 P47S9-K13 WeakPolarHBondContact O-CB 3.49Å; S9-K13 WeakPolarHBondContact O-CG 3.33Å; S9-K13 PolarHBondContact O-N 3.26Å; C10-K13 PolarHBondContact O-N 3.38Å; K13-P17 VanDerWaalsContact C-CG 3.49Å; K13-P17 WeakPolarHBondContact O-CG 3.38Å; K13-L45 VanDerWaalsContact CE-O 3.23Å; K13-L45 WeakPolarHBondContact CE-O 3.38Å; K13-L45 PolarHBondContact NZ-O 2.69Å; K13-P47 VanDerWaalsContact NZ-CA 3.3Å
14L74.5Confident78.4Confident119 Ų11939.2 Ų39.262%0.62323%0.231SC*.Iπ-helixtrans-136.2-51.6-173.1-152.4150.9000110.7C10 A18C10-L14 WeakPolarHBondContact O-CB 3.34Å; C10-L14 PolarHBondContact O-N 3.14Å; L14-A18 WeakPolarHBondContact O-CB 3.23Å; L14-A18 PolarHBondContact O-N 3.01Å
15L82.3Confident79Confident83 Ų8340 Ų4044%0.43523%0.23SC..Iπ-helixtrans-68.2-53.3-179.8-161.983000112.7C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 3.48Å; V11-L15 HydrophobicContact CG1-CD2 4.42Å; V11-L15 HydrophobicContact CG2-CD2 4.44Å; V11-L15 WeakPolarHBondContact O-CB 3.35Å; L15-A18 PolarHBondContact O-N 3.47Å; L15-A19 PolarHBondContact O-N 2.92Å; L15-L135 HydrophobicContact CD2-CD2 3.62Å
16L86.2Confident79.7Confident1 Ų140.4 Ų40.41%0.00523%0.23CC..Hα-helixtrans-60.4-51.8179.7-177.972.9000113.7V11 A18 A19 L20 F61 T65 T136V11-L16 WeakPolarHBondContact O-CB 3.39Å; V11-L16 PolarHBondContact O-N 3.35Å; L16-A18 VanDerWaalsContact C-N 3.31Å; L16-A18 PolarHBondContact O-N 2.87Å; L16-A19 PolarHBondContact O-N 3.47Å; L16-L20 HydrophobicContact CD1-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 4.03Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.47Å; L16-F61 HydrophobicContact CD2-CE1 3.61Å; L16-F61 HydrophobicContact CD2-CZ 4.23Å; L16-T65 HydrophobicContact CD1-CG2 4.17Å; L16-T65 HydrophobicContact CD2-CG2 4.45Å; L16-T136 HydrophobicContact CB-CG2 3.89Å; L16-T136 HydrophobicContact CD1-CG2 3.98Å; L16-T136 HydrophobicContact CG-CG2 4.37Å
17P82.6Confident80.3Confident2 Ų234 Ų341%0.01320%0.196CC..Hα-helixtrans-66.1-31.6179.124.5-33.7000112.9V12 K13 L20 L21 A39 S42 Y321V12-P17 WeakPolarHBondContact O-CD 3.49Å; K13-P17 VanDerWaalsContact C-CG 3.49Å; K13-P17 WeakPolarHBondContact O-CG 3.38Å; P17-L20 PolarHBondContact O-N 2.69Å; P17-L21 WeakPolarHBondContact O-CB 3.44Å; P17-L21 WeakPolarHBondContact O-CG 3.41Å; P17-L21 PolarHBondContact O-N 3.35Å; P17-A39 HydrophobicContact CB-CB 4.09Å; P17-S42 WeakPolarHBondContact CG-OG 3.42Å; P17-Y321 WeakPolarHBondContact CB-OH 3.5Å
18A82.4Confident80.5Confident55 Ų5530.4 Ų30.446%0.45518%0.179SC..Hα-helixtrans-65-42.4173.300000111.8L14 L15 L16 L21 A22L14-A18 WeakPolarHBondContact O-CB 3.23Å; L14-A18 PolarHBondContact O-N 3.01Å; L15-A18 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.31Å; L16-A18 PolarHBondContact O-N 2.87Å; A18-L21 PolarHBondContact O-N 3.38Å; A18-A22 VanDerWaalsContact O-CB 3.3Å; A18-A22 WeakPolarHBondContact O-CB 3.35Å; A18-A22 PolarHBondContact O-N 2.87Å
19A86.2Confident80.7Confident15 Ų1530.1 Ų30.112%0.12418%0.177CC..Hα-helixtrans-65.1-40.4175.400000112.7L15 L16 A22 A23 I128 A132L15-A19 PolarHBondContact O-N 2.92Å; L16-A19 PolarHBondContact O-N 3.47Å; A19-A22 PolarHBondContact O-N 2.82Å; A19-A23 WeakPolarHBondContact O-CB 3.35Å; A19-A23 PolarHBondContact O-N 3.44Å; A19-I128 HydrophobicContact CB-CG2 4.05Å; A19-I128 WeakPolarHBondContact O-CG2 3.32Å; A19-A132 HydrophobicContact CB-CB 3.41Å; A19-A132 VanDerWaalsContact CB-CB 3.41Å
20L88.2Confident81.1Confident2 Ų233 Ų331%0.0119%0.187CC..Hα-helixtrans-66.2-42.5175.9-72.5168.7000112.4L16 P17 A23 A24 Y35 L38 A39 T65L16-L20 HydrophobicContact CD1-CD1 4.37Å; L16-L20 HydrophobicContact CG-CD1 4.03Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.47Å; P17-L20 PolarHBondContact O-N 2.69Å; L20-A23 PolarHBondContact O-N 3.41Å; L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 2.92Å; L20-Y35 HydrophobicContact CD2-CD1 3.83Å; L20-Y35 HydrophobicContact CD2-CG 4.26Å; L20-L38 HydrophobicContact CD1-CB 3.8Å; L20-A39 HydrophobicContact CB-CB 4.04Å; L20-T65 HydrophobicContact CD1-CG2 4.22Å; L20-T65 HydrophobicContact CD2-CG2 4.37Å
21L84.5Confident81.5Confident19 Ų1932.5 Ų32.510%0.09918%0.18CC..Hα-helixtrans-66.5-39.4174.3-81.1161.6000111.9P17 A18 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.44Å; P17-L21 WeakPolarHBondContact O-CG 3.41Å; P17-L21 PolarHBondContact O-N 3.35Å; A18-L21 PolarHBondContact O-N 3.38Å; L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 3.25Å; L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.31Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.45Å; L21-I25 PolarHBondContact O-N 3.31Å; L21-A39 HydrophobicContact CD1-CB 4.28Å; L21-A39 HydrophobicContact CG-CB 3.88Å; L21-F249 HydrophobicContact CD2-CE1 4.13Å; L21-F249 HydrophobicContact CD2-CZ 4.04Å; L21-L317 HydrophobicContact CD1-CD1 4.03Å; L21-L317 HydrophobicContact CD1-CD2 4.08Å; L21-L317 HydrophobicContact CD2-CD1 4.22Å
22A83.5Confident81.5Confident38 Ų3832.1 Ų32.131%0.31418%0.178SC..Hα-helixtrans-61.4-48.4174.200000111.4A18 A19 A24 I25 I26A18-A22 VanDerWaalsContact O-CB 3.3Å; A18-A22 WeakPolarHBondContact O-CB 3.35Å; A18-A22 PolarHBondContact O-N 2.87Å; A19-A22 PolarHBondContact O-N 2.82Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.92Å; A22-I25 PolarHBondContact O-N 3.03Å; A22-I26 VanDerWaalsContact O-CD1 3.3Å; A22-I26 WeakPolarHBondContact O-CD1 3.39Å; A22-I26 VanDerWaalsContact O-CG1 3.22Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 3.17Å; A22-I26 VanDerWaalsContact O-N 3.09Å
23A82.3Confident81.6Confident0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-59-39.2175.500000112.4A19 L20 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.35Å; A19-A23 PolarHBondContact O-N 3.44Å; L20-A23 PolarHBondContact O-N 3.41Å; A23-Y35 HydrophobicContact CB-CD2 4.21Å; A23-Y35 HydrophobicContact CB-CE2 4.33Å; A23-P125 HydrophobicContact CB-CB 4.09Å; A23-A129 HydrophobicContact CB-CB 4.16Å
24A82.8Confident82.1Confident0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-63.2-52.2175.300000112.5L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.44Å; L20-A24 PolarHBondContact O-N 2.92Å; L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 3.25Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.92Å; A24-I26 VanDerWaalsContact C-N 3.27Å; A24-I26 PolarHBondContact O-N 3.5Å; A24-R27 CarbonylContact O-C 3.23Å; A24-R27 VanDerWaalsContact O-C 3.23Å; A24-R27 PolarHBondContact O-N 2.9Å; A24-R27 VanDerWaalsContact O-N 3.11Å; A24-V36 HydrophobicContact CB-CG2 3.71Å; A24-Y253 WeakPolarHBondContact CA-OH 3.47Å; A24-Y253 HydrophobicContact CB-CE2 4.12Å; A24-Y253 WeakPolarHBondContact CB-OH 3.49Å; A24-Y253 PolarHBondContact O-OH 3.36Å
25I79.2Confident82.8Confident97 Ų9726 Ų2650%0.49715%0.152SC..Hα-helixtrans-60.7-34.5-178.8-67.7162.5000112.1L21 A22 R27L21-I25 WeakPolarHBondContact O-CB 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.31Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.45Å; L21-I25 PolarHBondContact O-N 3.31Å; A22-I25 PolarHBondContact O-N 3.03Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.2Å
26I77.1Confident83Confident32 Ų3222.1 Ų22.116%0.16413%0.131CC..Hα-helixtrans-68.2-29.8178.8-65.1158.6000112.3A22 A24 R121 L124 P125 I128A22-I26 VanDerWaalsContact O-CD1 3.3Å; A22-I26 WeakPolarHBondContact O-CD1 3.39Å; A22-I26 VanDerWaalsContact O-CG1 3.22Å; A22-I26 WeakPolarHBondContact O-CG1 3.45Å; A22-I26 PolarHBondContact O-N 3.17Å; A22-I26 VanDerWaalsContact O-N 3.09Å; A24-I26 VanDerWaalsContact C-N 3.27Å; A24-I26 PolarHBondContact O-N 3.5Å; I26-R121 HydrophobicContact CG2-CG 4.5Å; I26-L124 HydrophobicContact CD1-CD2 4.19Å; I26-P125 HydrophobicContact CB-CG 4.04Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; I26-I128 HydrophobicContact CD1-CD1 3.62Å
27R77.9Confident83Confident9 Ų926.3 Ų26.33%0.03415%0.153CC..SBendtrans-142.481.6-178.2-171.3167117.6-121.1-8.3111.7A24 I25 S29 S32 G107 P125 E126A24-R27 CarbonylContact O-C 3.23Å; A24-R27 VanDerWaalsContact O-C 3.23Å; A24-R27 PolarHBondContact O-N 2.9Å; A24-R27 VanDerWaalsContact O-N 3.11Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.2Å; R27-S29 PolarHBondContact O-N 2.95Å; R27-S29 VanDerWaalsContact O-N 3.1Å; R27-S32 VanDerWaalsContact O-CB 3.23Å; R27-S32 WeakPolarHBondContact O-CB 3.37Å; R27-S32 PolarHBondContact O-OG 3.01Å; R27-G107 VanDerWaalsContact CZ-O 3.28Å; R27-G107 PolarHBondContact NE-O 3.22Å; R27-G107 PolarHBondContact NH2-O 2.81Å; R27-P125 HydrophobicContact CB-CG 3.87Å; R27-E126 IonicContact CZ-OE1 2.67Å; R27-E126 IonicContact NH1-OE1 3.21Å; R27-E126 PolarHBondContact NH1-OE1 3.27Å; R27-E126 IonicContact NH2-OE1 3.09Å; R27-E126 PolarHBondContact NH2-OE1 3.09Å
28P76.7Confident83.3Confident13 Ų1327.2 Ų27.28%0.08416%0.158CC..  trans-63.9111.217325.1-33.4000111Q256 M281P28-Q256 HydrophobicContact CB-CB 4.35Å; P28-M281 HydrophobicContact CG-SD 4.28Å
29S80Confident83.4Confident1 Ų124.7 Ų24.71%0.00714%0.137CC..SBendtrans-156.2168.2-178.289.10000111.6R27 L31 S32 I33 S105 I106R27-S29 PolarHBondContact O-N 2.95Å; R27-S29 VanDerWaalsContact O-N 3.1Å; S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.15Å; S29-L31 PolarHBondContact OG-N 3.27Å; S29-S32 PolarHBondContact N-OG 3.34Å; S29-S32 WeakPolarHBondContact O-CB 3.39Å; S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 VanDerWaalsContact O-N 3.08Å; S29-S32 PolarHBondContact O-OG 3.02Å; S29-S32 PolarHBondContact OG-N 3.21Å; S29-I33 PolarHBondContact O-N 3.38Å; S29-S105 WeakPolarHBondContact CA-O 3.46Å; S29-S105 WeakPolarHBondContact CB-O 3.48Å; S29-I106 WeakPolarHBondContact CB-O 3.44Å; S29-I106 PolarHBondContact OG-O 2.94Å
30F83.5Confident83.4Confident83 Ų8324.8 Ų24.836%0.36414%0.135SC..Hα-helixtrans-59.3-37.6175.6-74.8-75000113.5S32 I33 S105 I257 I259F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 2.87Å; F30-I33 HydrophobicContact CD1-CD1 3.86Å; F30-I33 HydrophobicContact CE1-CD1 4.49Å; F30-I33 WeakPolarHBondContact O-CB 3.46Å; F30-I33 PolarHBondContact O-N 3.35Å; F30-S105 WeakPolarHBondContact CD2-O 3.38Å; F30-S105 PolarHBondContact N-O 3.09Å; F30-I257 HydrophobicContact CD1-CD1 4.48Å; F30-I257 HydrophobicContact CE1-CD1 4.48Å; F30-I257 HydrophobicContact CE2-CG2 4.34Å; F30-I259 HydrophobicContact CE2-CG2 4.02Å; F30-I259 HydrophobicContact CZ-CG2 4.19Å
31L83.1Confident83.3Confident46 Ų4628 Ų2824%0.24116%0.155CC..Hα-helixtrans-59.7-40.3173.2-75.1163.5000112.5S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 3.15Å; S29-L31 PolarHBondContact OG-N 3.27Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 3.3Å; L31-G34 PolarHBondContact O-N 2.71Å; L31-V72 HydrophobicContact CD1-CG1 4.15Å; L31-V72 HydrophobicContact CD2-CG1 4.31Å; L31-V72 HydrophobicContact CD2-CG2 4.04Å; L31-I106 WeakPolarHBondContact CB-O 3.42Å; L31-I106 HydrophobicContact CD1-CG2 4.04Å; L31-I106 WeakPolarHBondContact CD1-O 3.45Å; L31-I106 HydrophobicContact CG-CG2 4.27Å; L31-I106 WeakPolarHBondContact CG-O 3.18Å; L31-I106 PolarHBondContact N-O 3.35Å; L31-I106 VanDerWaalsContact N-O 3.12Å
32S81.3Confident83.2Confident3 Ų327.1 Ų27.12%0.02115%0.15CC..Hα-helixtrans-67.5-21.7-177.975.10000114.4R27 S29 F30 G34 Y35 V36 Y253R27-S32 VanDerWaalsContact O-CB 3.23Å; R27-S32 WeakPolarHBondContact O-CB 3.37Å; R27-S32 PolarHBondContact O-OG 3.01Å; S29-S32 PolarHBondContact N-OG 3.34Å; S29-S32 WeakPolarHBondContact O-CB 3.39Å; S29-S32 PolarHBondContact O-N 3.35Å; S29-S32 VanDerWaalsContact O-N 3.08Å; S29-S32 PolarHBondContact O-OG 3.02Å; S29-S32 PolarHBondContact OG-N 3.21Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 2.87Å; S32-G34 PolarHBondContact O-N 3.05Å; S32-Y35 WeakPolarHBondContact O-CB 3.45Å; S32-Y35 PolarHBondContact O-N 3.41Å; S32-V36 PolarHBondContact O-N 2.84Å; S32-V36 VanDerWaalsContact O-N 3.15Å; S32-Y253 VanDerWaalsContact CB-OH 3.22Å; S32-Y253 WeakPolarHBondContact CB-OH 2.98Å; S32-Y253 WeakPolarHBondContact OG-CE1 3.42Å; S32-Y253 PolarHBondContact OG-OH 3.39Å
33I84.1Confident82.8Confident29 Ų2925.8 Ų25.815%0.14914%0.139CC..Hα-helixtrans-58.1-32.7171.5-58.7175.2000110.2S29 F30 L31 V36 L37 L250 Y253 T254 I257S29-I33 PolarHBondContact O-N 3.38Å; F30-I33 HydrophobicContact CD1-CD1 3.86Å; F30-I33 HydrophobicContact CE1-CD1 4.49Å; F30-I33 WeakPolarHBondContact O-CB 3.46Å; F30-I33 PolarHBondContact O-N 3.35Å; L31-I33 VanDerWaalsContact C-N 3.26Å; L31-I33 PolarHBondContact O-N 3.3Å; I33-V36 PolarHBondContact O-N 3.01Å; I33-L37 HydrophobicContact CG2-CD1 4.17Å; I33-L37 PolarHBondContact O-N 2.99Å; I33-L250 HydrophobicContact CG2-CD2 4.36Å; I33-Y253 HydrophobicContact CG1-CD1 4.42Å; I33-Y253 HydrophobicContact CG1-CE1 4.23Å; I33-T254 HydrophobicContact CD1-CG2 3.98Å; I33-I257 HydrophobicContact CD1-CD1 3.89Å; I33-I257 HydrophobicContact CG1-CD1 4.34Å
34G85.8Confident82.7Confident15 Ų1530.3 Ų30.316%0.15517%0.166CC..Hα-helixtrans-60.8-42173.100000113L31 S32 L37 L38L31-G34 PolarHBondContact O-N 2.71Å; S32-G34 PolarHBondContact O-N 3.05Å; G34-L37 PolarHBondContact O-N 3.18Å; G34-L38 WeakPolarHBondContact O-CB 3.43Å; G34-L38 WeakPolarHBondContact O-CD1 3.35Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.36Å; G34-L38 PolarHBondContact O-N 3.36Å
35Y88.8Confident82.4Confident4 Ų430.7 Ų30.72%0.01617%0.168CC..Hα-helixtrans-66.1-40.5175.3-53.7-42.3000112L20 A23 S32 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.83Å; L20-Y35 HydrophobicContact CD2-CG 4.26Å; A23-Y35 HydrophobicContact CB-CD2 4.21Å; A23-Y35 HydrophobicContact CB-CE2 4.33Å; S32-Y35 WeakPolarHBondContact O-CB 3.45Å; S32-Y35 PolarHBondContact O-N 3.41Å; Y35-L38 PolarHBondContact O-N 3.46Å; Y35-A39 WeakPolarHBondContact O-CB 3.21Å; Y35-A39 PolarHBondContact O-N 2.93Å; Y35-F68 HydrophobicContact CD1-CD1 4.11Å; Y35-F68 AromaticContact CD1-CE1 3.86Å; Y35-F68 HydrophobicContact CD1-CE1 3.86Å; Y35-F68 AromaticContact CE1-CD1 3.99Å; Y35-F68 HydrophobicContact CE1-CD1 3.99Å; Y35-F68 AromaticContact CE1-CE1 3.8Å; Y35-F68 HydrophobicContact CE1-CE1 3.8Å; Y35-E126 PolarHBondContact OH-OE1 2.77Å; Y35-E126 PolarHBondContact OH-OE2 3.39Å; Y35-A129 HydrophobicContact CE1-CB 4.15Å
36V85.9Confident82Confident1 Ų128.5 Ų28.51%0.00616%0.161CC..Hα-helixtrans-62.4-45.2176.1176.90000111A24 S32 I33 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.71Å; S32-V36 PolarHBondContact O-N 2.84Å; S32-V36 VanDerWaalsContact O-N 3.15Å; I33-V36 PolarHBondContact O-N 3.01Å; V36-A39 PolarHBondContact O-N 2.73Å; V36-L40 HydrophobicContact CG1-CD1 4Å; V36-L40 HydrophobicContact CG1-CG 4.45Å; V36-L40 WeakPolarHBondContact O-CG 3.2Å; V36-L40 PolarHBondContact O-N 2.89Å; V36-F249 HydrophobicContact CG1-CD1 4.13Å; V36-F249 HydrophobicContact CG1-CE1 3.85Å; V36-Y253 HydrophobicContact CG2-CD1 4.11Å; V36-Y253 HydrophobicContact CG2-CD2 4.07Å; V36-Y253 HydrophobicContact CG2-CE1 3.86Å; V36-Y253 HydrophobicContact CG2-CE2 3.82Å; V36-Y253 HydrophobicContact CG2-CG 4.21Å
37L86.8Confident81.5Confident88 Ų8830.1 Ų30.146%0.46117%0.173SC..Hα-helixtrans-59.6-46.2174.4-81.2165.5000111.9I33 G34 A39 L40 V41I33-L37 HydrophobicContact CG2-CD1 4.17Å; I33-L37 PolarHBondContact O-N 2.99Å; G34-L37 PolarHBondContact O-N 3.18Å; L37-A39 VanDerWaalsContact C-N 3.35Å; L37-A39 PolarHBondContact O-N 2.69Å; L37-L40 PolarHBondContact O-N 2.9Å; L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.39Å; L37-V41 PolarHBondContact O-N 3.27Å
38L88.5Confident81Confident22 Ų2230.4 Ų30.412%0.11518%0.175CC..Hα-helixtrans-62.9-38.8177.2-71.2163.8000112.1L20 G34 Y35 V41 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.8Å; G34-L38 WeakPolarHBondContact O-CB 3.43Å; G34-L38 WeakPolarHBondContact O-CD1 3.35Å; G34-L38 VanDerWaalsContact O-CG 3.24Å; G34-L38 WeakPolarHBondContact O-CG 3.36Å; G34-L38 PolarHBondContact O-N 3.36Å; Y35-L38 PolarHBondContact O-N 3.46Å; L38-V41 PolarHBondContact O-N 2.96Å; L38-S42 PolarHBondContact O-N 3.41Å; L38-F61 HydrophobicContact CD2-CE2 3.93Å; L38-F61 WeakPolarHBondContact O-CZ 3.36Å; L38-T65 HydrophobicContact CD1-CG2 4.37Å; L38-F68 HydrophobicContact CD1-CB 4.34Å; L38-F68 HydrophobicContact CD1-CD1 3.81Å; L38-F68 HydrophobicContact CD1-CE1 4.45Å; L38-F68 HydrophobicContact CD1-CG 4.19Å
39A86.1Confident80.3Confident1 Ų136.8 Ų36.81%0.00820%0.198CC..Hα-helixtrans-67.3-42.4176.400000113P17 L20 L21 Y35 V36 L37 S42 Y321P17-A39 HydrophobicContact CB-CB 4.09Å; L20-A39 HydrophobicContact CB-CB 4.04Å; L21-A39 HydrophobicContact CD1-CB 4.28Å; L21-A39 HydrophobicContact CG-CB 3.88Å; Y35-A39 WeakPolarHBondContact O-CB 3.21Å; Y35-A39 PolarHBondContact O-N 2.93Å; V36-A39 PolarHBondContact O-N 2.73Å; L37-A39 VanDerWaalsContact C-N 3.35Å; L37-A39 PolarHBondContact O-N 2.69Å; A39-S42 WeakPolarHBondContact O-CB 3.36Å; A39-S42 PolarHBondContact O-N 3.4Å; A39-Y321 PolarHBondContact O-OH 3.3Å
40L85.7Confident79Confident18 Ų1845.3 Ų45.39%0.09424%0.235CC..Hα-helixtrans-65-40.3174.9-70.5170.1000111.4V36 L37 A43 F320V36-L40 HydrophobicContact CG1-CD1 4Å; V36-L40 HydrophobicContact CG1-CG 4.45Å; V36-L40 WeakPolarHBondContact O-CG 3.2Å; V36-L40 PolarHBondContact O-N 2.89Å; L37-L40 PolarHBondContact O-N 2.9Å; L40-A43 PolarHBondContact O-N 3.37Å; L40-F320 HydrophobicContact CB-CZ 4.4Å; L40-F320 HydrophobicContact CD2-CD1 3.87Å; L40-F320 HydrophobicContact CD2-CE1 3.5Å; L40-F320 HydrophobicContact CD2-CE2 4.27Å; L40-F320 HydrophobicContact CD2-CG 4.39Å; L40-F320 HydrophobicContact CD2-CZ 3.73Å
41V85.3Confident77.9Confident70 Ų7046.3 Ų46.342%0.42425%0.252SS..Hα-helixtrans-65.4-37.2176.2169.10000112L37 L38 A43 V44 F61L37-V41 WeakPolarHBondContact O-CB 3.29Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.39Å; L37-V41 PolarHBondContact O-N 3.27Å; L38-V41 PolarHBondContact O-N 2.96Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.35Å; V41-V44 WeakPolarHBondContact O-CB 3.48Å; V41-V44 PolarHBondContact O-N 2.9Å; V41-F61 HydrophobicContact CB-CE2 4.17Å; V41-F61 HydrophobicContact CG1-CD2 3.91Å; V41-F61 HydrophobicContact CG1-CE2 3.73Å
42S83.3Confident76.6Confident0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-53.2-42.4176.2162.30000112.5V12 P17 L38 A39 V44 L45V12-S42 PolarHBondContact O-OG 3.29Å; P17-S42 WeakPolarHBondContact CG-OG 3.42Å; L38-S42 PolarHBondContact O-N 3.41Å; A39-S42 WeakPolarHBondContact O-CB 3.36Å; A39-S42 PolarHBondContact O-N 3.4Å; S42-V44 PolarHBondContact O-N 3.24Å; S42-V44 VanDerWaalsContact O-N 3.11Å; S42-L45 WeakPolarHBondContact O-CB 3.47Å; S42-L45 PolarHBondContact O-N 2.87Å
43A75.5Confident75.6Confident10 Ų1053.9 Ų53.98%0.08330%0.304CS..Hα-helixtrans-59-26.9178.700000112.9L40 V41 F320 Y321 V324 K328L40-A43 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.35Å; A43-F320 HydrophobicContact CB-CE1 3.74Å; A43-F320 HydrophobicContact CB-CZ 4.27Å; A43-Y321 HydrophobicContact CB-CD1 4.02Å; A43-Y321 HydrophobicContact CB-CE1 3.61Å; A43-V324 HydrophobicContact CB-CG1 4.22Å; A43-V324 VanDerWaalsContact O-CG1 3.31Å; A43-V324 WeakPolarHBondContact O-CG1 3.16Å; A43-K328 PolarHBondContact O-NZ 3.32Å
44V78.8Confident74.7Confident94 Ų9455.5 Ų55.557%0.5731%0.313SS*.Hα-helixtrans-85.1-20-176.5-170.10000112.6V41 S42 K328V41-V44 WeakPolarHBondContact O-CB 3.48Å; V41-V44 PolarHBondContact O-N 2.9Å; S42-V44 PolarHBondContact O-N 3.24Å; S42-V44 VanDerWaalsContact O-N 3.11Å; V44-K328 VanDerWaalsContact O-CE 3.28Å; V44-K328 WeakPolarHBondContact O-CE 3.03Å; V44-K328 PolarHBondContact O-NZ 3.44Å
45L77Confident74Confident8 Ų856.8 Ų56.84%0.04232%0.318CS..SBendtrans-61.2146.7-174.8-66.8169.3000116.3V12 K13 S42 L57 V58 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.77Å; K13-L45 VanDerWaalsContact CE-O 3.23Å; K13-L45 WeakPolarHBondContact CE-O 3.38Å; K13-L45 PolarHBondContact NZ-O 2.69Å; S42-L45 WeakPolarHBondContact O-CB 3.47Å; S42-L45 PolarHBondContact O-N 2.87Å; L45-L57 HydrophobicContact CD2-CD2 4.07Å; L45-V58 HydrophobicContact CD2-CG2 4.47Å; L45-F61 HydrophobicContact CD1-CD1 3.43Å; L45-F61 VanDerWaalsContact CD1-CD1 3.43Å; L45-F61 HydrophobicContact CD1-CD2 4.43Å; L45-F61 HydrophobicContact CD1-CE1 3.59Å; L45-F61 HydrophobicContact CD1-CG 3.87Å; L45-F61 HydrophobicContact CD1-CZ 4.19Å; L45-F61 HydrophobicContact CD2-CB 4.37Å; L45-F61 HydrophobicContact CD2-CG 4.38Å; L45-K328 PolarHBondContact O-NZ 2.88Å
46P70.6Confident73.3Confident52 Ų5265.6 Ų65.634%0.33836%0.357SS..PPolyproline II helixtrans-67.2151.4177.228.2-34.5000112.7V58P46-V58 HydrophobicContact CG-CG2 4Å
47P66.6Low73Confident66 Ų6671 Ų7143%0.42939%0.385SS..PPolyproline II helixtrans-73.9145.5174.330.6-32.8000112.5K13K13-P47 VanDerWaalsContact NZ-CA 3.3Å
48I67.9Low72.7Confident14 Ų1466.9 Ų66.97%0.07236%0.364CS..PPolyproline II helixtrans-78.5120.8174.9-59.1169.6000108.4P5 K8 L54P5-I48 HydrophobicContact CB-CG2 4.34Å; K8-I48 HydrophobicContact CB-CD1 3.67Å; I48-L54 HydrophobicContact CD1-CD1 4.14Å; I48-L54 HydrophobicContact CG1-CD1 4.44Å
49R62.5Low72.2Confident148 Ų14866.2 Ų66.256%0.55836%0.362SS*.PPolyproline II helixtrans-100.1162.4-175.4-72.2-172.4174.3-162.1-2.2111.8S51R49-S51 VanDerWaalsContact C-N 3.3Å; R49-S51 PolarHBondContact O-N 3.06Å
50K53Low72.1Confident180 Ų18069.6 Ų69.678%0.78338%0.383SS*.THydrogen-bonded Turntrans-67.2-21.7-179.7-79.2-174.9173.1-169.30115P5P5-K50 HydrophobicContact CG-CG 3.85Å
51S58.9Low72.1Confident103 Ų10369.5 Ų69.572%0.7238%0.382SS*.THydrogen-bonded Turntrans-124.47.4-164.856.30000115.3R49R49-S51 VanDerWaalsContact C-N 3.3Å; R49-S51 PolarHBondContact O-N 3.06Å
52L56.3Low72.1Confident116 Ų11666.2 Ų66.261%0.60736%0.362SS*.SBendtrans-126141.2-179.2-94.880.8000110.9
53A60.6Low72.2Confident92 Ų9269.7 Ų69.776%0.7638%0.379SS*.PPolyproline II helixtrans-53.8151.5167.200000111.5
54L65.4Low72.8Confident63 Ų6373.5 Ų73.533%0.3340%0.397SS..PPolyproline II helixtrans-54124.3-175.7-167.480.7000110.6I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.14Å; I48-L54 HydrophobicContact CG1-CD1 4.44Å; L54-K56 PolarHBondContact O-N 3.24Å; L54-V140 HydrophobicContact CD1-CG1 3.65Å; L54-V140 HydrophobicContact CD2-CG1 3.73Å; L54-V140 HydrophobicContact CG-CG1 4.32Å
55P70.5Confident73.2Confident42 Ų4269 Ų6927%0.27337%0.371SS..PPolyproline II helixtrans-61.5127.3-177.1-22.432.1000110.8L57 V58 G59P55-L57 PolarHBondContact O-N 3.01Å; P55-L57 VanDerWaalsContact O-N 3.09Å; P55-V58 HydrophobicContact CB-CB 4.49Å; P55-V58 HydrophobicContact CB-CG2 4.14Å; P55-V58 HydrophobicContact CG-CG2 4.32Å; P55-V58 WeakPolarHBondContact O-CB 3.22Å; P55-V58 PolarHBondContact O-N 2.85Å; P55-G59 PolarHBondContact O-N 3.24Å
56K75Confident73.8Confident189 Ų18971.2 Ų71.282%0.82238%0.38SS*.Hα-helixtrans-44.1-49.5-179.9-80.1-173175.1-178.30111.8L54 V58 G59 T60L54-K56 PolarHBondContact O-N 3.24Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3.42Å; K56-G59 CarbonylContact O-C 3.59Å; K56-G59 WeakPolarHBondContact O-CA 3.33Å; K56-G59 PolarHBondContact O-N 2.76Å; K56-T60 PolarHBondContact O-N 3.42Å; K56-T60 PolarHBondContact O-OG1 3.04Å
57L79.5Confident74.6Confident115 Ų11573.4 Ų73.460%0.60239%0.388SS*.Hα-helixtrans-53.9-37.7179.2-157.892.1000114.4L45 P55 F61L45-L57 HydrophobicContact CD2-CD2 4.07Å; P55-L57 PolarHBondContact O-N 3.01Å; P55-L57 VanDerWaalsContact O-N 3.09Å; L57-F61 VanDerWaalsContact O-CB 3.26Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 2.84Å
58V79Confident75.8Confident1 Ų173.4 Ų73.41%0.00638%0.381CS..Hα-helixtrans-73.7-39.9177.4176.60000110.1V12 L45 P46 P55 K56 V62V12-V58 HydrophobicContact CG1-CG1 4.49Å; L45-V58 HydrophobicContact CD2-CG2 4.47Å; P46-V58 HydrophobicContact CG-CG2 4Å; P55-V58 HydrophobicContact CB-CB 4.49Å; P55-V58 HydrophobicContact CB-CG2 4.14Å; P55-V58 HydrophobicContact CG-CG2 4.32Å; P55-V58 WeakPolarHBondContact O-CB 3.22Å; P55-V58 PolarHBondContact O-N 2.85Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 3.42Å; V58-V62 WeakPolarHBondContact O-CG2 3.17Å; V58-V62 PolarHBondContact O-N 3.31Å; V58-V62 VanDerWaalsContact O-N 3.1Å
59G79.4Confident76.7Confident8 Ų872.7 Ų72.78%0.08238%0.378CS..Hα-helixtrans-60.3-49.517200000112.4P55 K56 F61 V62 I63 M141P55-G59 PolarHBondContact O-N 3.24Å; K56-G59 CarbonylContact O-C 3.59Å; K56-G59 WeakPolarHBondContact O-CA 3.33Å; K56-G59 PolarHBondContact O-N 2.76Å; G59-F61 PolarHBondContact O-N 2.93Å; G59-V62 PolarHBondContact O-N 3.47Å; G59-I63 WeakPolarHBondContact O-CG1 3.15Å; G59-I63 PolarHBondContact O-N 3.41Å; G59-I63 VanDerWaalsContact O-N 3.07Å; G59-M141 WeakPolarHBondContact O-CE 3.16Å
60T83Confident78Confident72 Ų7269.2 Ų69.244%0.44237%0.37SS..Hα-helixtrans-63.1-42.6178.8-22.10000111.9K56 V62 I63 I64K56-T60 PolarHBondContact O-N 3.42Å; K56-T60 PolarHBondContact O-OG1 3.04Å; T60-V62 PolarHBondContact O-N 2.86Å; T60-I63 PolarHBondContact O-N 3.47Å; T60-I64 HydrophobicContact CG2-CD1 3.96Å; T60-I64 WeakPolarHBondContact O-CB 3.49Å; T60-I64 WeakPolarHBondContact O-CD1 3.2Å; T60-I64 VanDerWaalsContact O-CG1 3.24Å; T60-I64 WeakPolarHBondContact O-CG1 3.26Å; T60-I64 PolarHBondContact O-N 3.33Å
61F86.3Confident79.6Confident17 Ų1763.5 Ų63.58%0.07536%0.356CS..Hα-helixtrans-59.7-45.7177.5172-98000112.1L16 L38 V41 L45 L57 G59 I63 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.61Å; L16-F61 HydrophobicContact CD2-CZ 4.23Å; L38-F61 HydrophobicContact CD2-CE2 3.93Å; L38-F61 WeakPolarHBondContact O-CZ 3.36Å; V41-F61 HydrophobicContact CB-CE2 4.17Å; V41-F61 HydrophobicContact CG1-CD2 3.91Å; V41-F61 HydrophobicContact CG1-CE2 3.73Å; L45-F61 HydrophobicContact CD1-CD1 3.43Å; L45-F61 VanDerWaalsContact CD1-CD1 3.43Å; L45-F61 HydrophobicContact CD1-CD2 4.43Å; L45-F61 HydrophobicContact CD1-CE1 3.59Å; L45-F61 HydrophobicContact CD1-CG 3.87Å; L45-F61 HydrophobicContact CD1-CZ 4.19Å; L45-F61 HydrophobicContact CD2-CB 4.37Å; L45-F61 HydrophobicContact CD2-CG 4.38Å; L57-F61 VanDerWaalsContact O-CB 3.26Å; L57-F61 WeakPolarHBondContact O-CB 3.41Å; L57-F61 PolarHBondContact O-N 2.84Å; G59-F61 PolarHBondContact O-N 2.93Å; F61-I63 PolarHBondContact O-N 2.89Å; F61-I64 PolarHBondContact O-N 3.47Å; F61-T65 WeakPolarHBondContact O-CB 3.38Å; F61-T65 PolarHBondContact O-N 2.87Å; F61-T65 PolarHBondContact O-OG1 2.9Å
62V85Confident80.9Confident0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-65-39.4178.81710000111.3V58 G59 T60 F66 I137V58-V62 WeakPolarHBondContact O-CG2 3.17Å; V58-V62 PolarHBondContact O-N 3.31Å; V58-V62 VanDerWaalsContact O-N 3.1Å; G59-V62 PolarHBondContact O-N 3.47Å; T60-V62 PolarHBondContact O-N 2.86Å; V62-F66 PolarHBondContact O-N 3.3Å; V62-F66 VanDerWaalsContact O-N 3.12Å; V62-I137 HydrophobicContact CG1-CB 4.38Å; V62-I137 HydrophobicContact CG1-CG1 3.45Å; V62-I137 VanDerWaalsContact CG1-CG1 3.45Å
63I86Confident82.3Confident73 Ų7355 Ų5537%0.37431%0.309SS..Hα-helixtrans-62-50.8172.7-66.2163.4000111.3G59 T60 F61 T65 F66 L67 M141G59-I63 WeakPolarHBondContact O-CG1 3.15Å; G59-I63 PolarHBondContact O-N 3.41Å; G59-I63 VanDerWaalsContact O-N 3.07Å; T60-I63 PolarHBondContact O-N 3.47Å; F61-I63 PolarHBondContact O-N 2.89Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 3.47Å; I63-F66 PolarHBondContact O-N 2.99Å; I63-L67 HydrophobicContact CG2-CD1 3.72Å; I63-L67 HydrophobicContact CG2-CG 4.19Å; I63-L67 WeakPolarHBondContact O-CG 3.46Å; I63-L67 PolarHBondContact O-N 3.44Å; I63-M141 HydrophobicContact CD1-CE 3.84Å; I63-M141 HydrophobicContact CG1-CE 3.7Å
64I87.5Confident83.4Confident90 Ų9056.2 Ų56.246%0.46230%0.301SS..Hα-helixtrans-60.7-40.9-178.9-70.4163000110.7T60 F61 L67 F68T60-I64 HydrophobicContact CG2-CD1 3.96Å; T60-I64 WeakPolarHBondContact O-CB 3.49Å; T60-I64 WeakPolarHBondContact O-CD1 3.2Å; T60-I64 VanDerWaalsContact O-CG1 3.24Å; T60-I64 WeakPolarHBondContact O-CG1 3.26Å; T60-I64 PolarHBondContact O-N 3.33Å; F61-I64 PolarHBondContact O-N 3.47Å; I64-L67 PolarHBondContact O-N 3.32Å; I64-F68 WeakPolarHBondContact O-CB 3.42Å; I64-F68 PolarHBondContact O-N 3.47Å
65T87.4Confident84.3Confident1 Ų154.5 Ų54.51%0.00630%0.299CS..Hα-helixtrans-61.6-45.3177.5-52.50000110.9L16 L20 L38 F61 I63 C69L16-T65 HydrophobicContact CD1-CG2 4.17Å; L16-T65 HydrophobicContact CD2-CG2 4.45Å; L20-T65 HydrophobicContact CD1-CG2 4.22Å; L20-T65 HydrophobicContact CD2-CG2 4.37Å; L38-T65 HydrophobicContact CD1-CG2 4.37Å; F61-T65 WeakPolarHBondContact O-CB 3.38Å; F61-T65 PolarHBondContact O-N 2.87Å; F61-T65 PolarHBondContact O-OG1 2.9Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 3.47Å; T65-C69 PolarHBondContact O-N 3.5Å; T65-C69 PolarHBondContact O-SG 2.76Å
66F88.7Confident84.8Confident53 Ų5353 Ų5323%0.23229%0.288CS..Hα-helixtrans-66.1-46.2176.6175.9-102.9000112.7V62 I63 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 3.3Å; V62-F66 VanDerWaalsContact O-N 3.12Å; I63-F66 PolarHBondContact O-N 2.99Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.42Å; F66-C69 PolarHBondContact O-N 2.87Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 VanDerWaalsContact O-CB 3.3Å; F66-L70 WeakPolarHBondContact O-CB 3.31Å; F66-L70 PolarHBondContact O-N 2.87Å; F66-A133 HydrophobicContact CB-CB 4.23Å; F66-A133 HydrophobicContact CD2-CB 4.2Å; F66-L134 HydrophobicContact CE2-CD1 4.11Å; F66-I137 HydrophobicContact CB-CD1 3.42Å; F66-I137 VanDerWaalsContact CB-CD1 3.42Å; F66-I137 HydrophobicContact CB-CG1 4.45Å; F66-I137 HydrophobicContact CD1-CD1 3.78Å; F66-I137 HydrophobicContact CD2-CD1 3.87Å; F66-I137 HydrophobicContact CG-CD1 3.41Å; F66-I137 VanDerWaalsContact CG-CD1 3.41Å
67L88.9Confident85Confident98 Ų9845.5 Ų45.551%0.51327%0.265SS..Hα-helixtrans-60.3-40.1176.9-73.4174.3000112.1I63 I64 L70 A71I63-L67 HydrophobicContact CG2-CD1 3.72Å; I63-L67 HydrophobicContact CG2-CG 4.19Å; I63-L67 WeakPolarHBondContact O-CG 3.46Å; I63-L67 PolarHBondContact O-N 3.44Å; I64-L67 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 3.3Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 3.03Å
68F90.3Very high85.1Confident66 Ų6643.5 Ų43.529%0.28926%0.261SS..Hα-helixtrans-63.9-50.9174.9-172.8-98.1000111Y35 L38 I64 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.11Å; Y35-F68 AromaticContact CD1-CE1 3.86Å; Y35-F68 HydrophobicContact CD1-CE1 3.86Å; Y35-F68 AromaticContact CE1-CD1 3.99Å; Y35-F68 HydrophobicContact CE1-CD1 3.99Å; Y35-F68 AromaticContact CE1-CE1 3.8Å; Y35-F68 HydrophobicContact CE1-CE1 3.8Å; L38-F68 HydrophobicContact CD1-CB 4.34Å; L38-F68 HydrophobicContact CD1-CD1 3.81Å; L38-F68 HydrophobicContact CD1-CE1 4.45Å; L38-F68 HydrophobicContact CD1-CG 4.19Å; I64-F68 WeakPolarHBondContact O-CB 3.42Å; I64-F68 PolarHBondContact O-N 3.47Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.42Å; F68-L70 VanDerWaalsContact C-N 3.28Å; F68-L70 PolarHBondContact O-N 3.22Å; F68-A71 PolarHBondContact O-N 2.75Å; F68-V72 HydrophobicContact CD1-CG2 4.23Å; F68-V72 HydrophobicContact CE1-CG2 3.88Å; F68-V72 HydrophobicContact CE2-CG2 4.45Å; F68-V72 HydrophobicContact CZ-CG2 4Å; F68-V72 WeakPolarHBondContact O-CG2 3.43Å; F68-V72 PolarHBondContact O-N 3.08Å
69C88.4Confident85.2Confident0 Ų044.9 Ų44.90%027%0.266CS..Hα-helixtrans-60.4-37.7178.1-620000112.4T65 F66 A73 A129 T130T65-C69 PolarHBondContact O-N 3.5Å; T65-C69 PolarHBondContact O-SG 2.76Å; F66-C69 PolarHBondContact O-N 2.87Å; C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.29Å; C69-A73 PolarHBondContact O-N 3.38Å; C69-A129 HydrophobicContact CB-CB 4.46Å; C69-T130 HydrophobicContact CB-CG2 3.84Å
70L88.1Confident85.1Confident74 Ų7446.1 Ų46.139%0.38727%0.27SS..Hα-helixtrans-65.7-44.6175.9-16879.1000111.6F66 L67 F68 A73 L74F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 VanDerWaalsContact O-CB 3.3Å; F66-L70 WeakPolarHBondContact O-CB 3.31Å; F66-L70 PolarHBondContact O-N 2.87Å; L67-L70 PolarHBondContact O-N 3.3Å; F68-L70 VanDerWaalsContact C-N 3.28Å; F68-L70 PolarHBondContact O-N 3.22Å; L70-A73 PolarHBondContact O-N 2.92Å; L70-L74 HydrophobicContact CG-CD1 4.24Å; L70-L74 WeakPolarHBondContact O-CB 3.39Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.1Å; L70-L74 PolarHBondContact O-N 3.5Å
71A88Confident84.9Confident60 Ų6048.3 Ų48.350%0.49628%0.278SS..Hα-helixtrans-64.7-40.4178.800000112.3L67 F68 G75L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 3.03Å; F68-A71 PolarHBondContact O-N 2.75Å; A71-G75 PolarHBondContact O-N 3.12Å
72V85.9Confident84.3Confident9 Ų950.2 Ų50.26%0.05529%0.293CS..Hα-helixtrans-68-43.9175.5-173.30000111.1L31 F68 L74 G75 V76 E126L31-V72 HydrophobicContact CD1-CG1 4.15Å; L31-V72 HydrophobicContact CD2-CG1 4.31Å; L31-V72 HydrophobicContact CD2-CG2 4.04Å; F68-V72 HydrophobicContact CD1-CG2 4.23Å; F68-V72 HydrophobicContact CE1-CG2 3.88Å; F68-V72 HydrophobicContact CE2-CG2 4.45Å; F68-V72 HydrophobicContact CZ-CG2 4Å; F68-V72 WeakPolarHBondContact O-CG2 3.43Å; F68-V72 PolarHBondContact O-N 3.08Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.14Å; V72-G75 PolarHBondContact O-N 3.13Å; V72-G75 VanDerWaalsContact O-N 3.14Å; V72-V76 HydrophobicContact CG1-CG2 4.4Å; V72-V76 WeakPolarHBondContact O-CG2 3.2Å; V72-V76 PolarHBondContact O-N 2.89Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.37Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.37Å
73A84.6Confident83.6Confident33 Ų3351.9 Ų51.927%0.27330%0.301SS..Hα-helixtrans-59.9-40.117600000112.7C69 L70 G77 E126 T130C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.29Å; C69-A73 PolarHBondContact O-N 3.38Å; L70-A73 PolarHBondContact O-N 2.92Å; A73-G77 PolarHBondContact O-N 3.32Å; A73-E126 HydrophobicContact CB-CB 4.4Å; A73-T130 HydrophobicContact CB-CG2 4.09Å
74L85.7Confident82.7Confident117 Ų11755.1 Ų55.161%0.61331%0.314SS*.Hα-helixtrans-65.9-40.5173.8-73.7168.6000112.4L70 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.24Å; L70-L74 WeakPolarHBondContact O-CB 3.39Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.1Å; L70-L74 PolarHBondContact O-N 3.5Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.14Å; L74-G77 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-N 3.19Å; L74-S78 PolarHBondContact O-OG 2.77Å
75G82.3Confident81.9Confident26 Ų2656.4 Ų56.427%0.26833%0.326SS..Hα-helixtrans-67.7-37.6176.900000113.8A71 V72 S78 Y79 L108A71-G75 PolarHBondContact O-N 3.12Å; V72-G75 PolarHBondContact O-N 3.13Å; V72-G75 VanDerWaalsContact O-N 3.14Å; G75-S78 PolarHBondContact O-OG 3.2Å; G75-S78 VanDerWaalsContact O-OG 3.07Å; G75-Y79 WeakPolarHBondContact O-CB 3.41Å; G75-Y79 PolarHBondContact O-N 3.32Å; G75-L108 WeakPolarHBondContact O-CD2 3.35Å
76V80.9Confident80.9Confident10 Ų1060.8 Ų60.86%0.06135%0.353CS..Hα-helixtrans-67.9-42.3171.5174.40000110.3V72 Y79 Q80 L108 E126V72-V76 HydrophobicContact CG1-CG2 4.4Å; V72-V76 WeakPolarHBondContact O-CG2 3.2Å; V72-V76 PolarHBondContact O-N 2.89Å; V76-Y79 PolarHBondContact O-N 3.39Å; V76-Q80 HydrophobicContact CG1-CG 4.47Å; V76-Q80 WeakPolarHBondContact O-CG 3.3Å; V76-Q80 PolarHBondContact O-N 2.82Å; V76-L108 HydrophobicContact CG2-CD2 4.38Å; V76-E126 HydrophobicContact CG2-CG 4.33Å
77G79.9Confident79.4Confident32 Ų3261.3 Ų61.333%0.3336%0.356SS..Hα-helixtrans-58.6-47.5176.400000113.2A73 L74 Y79 Q80 I81A73-G77 PolarHBondContact O-N 3.32Å; L74-G77 PolarHBondContact O-N 2.8Å; G77-Y79 PolarHBondContact O-N 3.03Å; G77-Q80 PolarHBondContact O-N 3.2Å; G77-I81 WeakPolarHBondContact O-CD1 3.3Å; G77-I81 VanDerWaalsContact O-CG1 3.27Å; G77-I81 WeakPolarHBondContact O-CG1 3.44Å; G77-I81 PolarHBondContact O-N 3.15Å; G77-I81 VanDerWaalsContact O-N 3.09Å
78S82.4Confident77.7Confident73 Ų7365.8 Ų65.851%0.5137%0.371SS..Hα-helixtrans-65.8-37178.660.90000112.9L74 G75 I81 S82L74-S78 PolarHBondContact O-N 3.19Å; L74-S78 PolarHBondContact O-OG 2.77Å; G75-S78 PolarHBondContact O-OG 3.2Å; G75-S78 VanDerWaalsContact O-OG 3.07Å; S78-I81 PolarHBondContact O-N 3.4Å; S78-S82 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-OG 3.34Å
79Y81.1Confident75.9Confident31 Ų3169.9 Ų69.912%0.12240%0.396CS..Hα-helixtrans-67-42.6175.4176.4-98000113.2G75 V76 G77 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 3.41Å; G75-Y79 PolarHBondContact O-N 3.32Å; V76-Y79 PolarHBondContact O-N 3.39Å; G77-Y79 PolarHBondContact O-N 3.03Å; Y79-I81 VanDerWaalsContact C-N 3.29Å; Y79-I81 PolarHBondContact O-N 3.13Å; Y79-S82 WeakPolarHBondContact CA-OG 3.28Å; Y79-S82 PolarHBondContact O-N 3.3Å; Y79-S82 PolarHBondContact O-OG 3Å; Y79-E83 HydrophobicContact CE1-CG 4.03Å; Y79-E83 HydrophobicContact CE2-CG 4.03Å; Y79-E83 PolarHBondContact O-N 3.42Å; Y79-L108 HydrophobicContact CD1-CB 3.65Å; Y79-L108 HydrophobicContact CD2-CB 4.3Å; Y79-L108 HydrophobicContact CD2-CD1 4.07Å; Y79-L108 HydrophobicContact CE1-CB 4.05Å; Y79-L108 HydrophobicContact CG-CB 3.78Å; Y79-L108 HydrophobicContact CG-CD1 4.24Å; Y79-L108 HydrophobicContact CG-CD2 4.33Å; Y79-L108 HydrophobicContact CG-CG 4.32Å
80Q76.7Confident74.3Confident33 Ų3375.3 Ų75.315%0.15443%0.425CS..Hα-helixtrans-60.8-41.9173.6-63.2-64.1-900110.4V76 G77 S82 E83 Q84 V109V76-Q80 HydrophobicContact CG1-CG 4.47Å; V76-Q80 WeakPolarHBondContact O-CG 3.3Å; V76-Q80 PolarHBondContact O-N 2.82Å; G77-Q80 PolarHBondContact O-N 3.2Å; Q80-S82 PolarHBondContact O-N 3.08Å; Q80-E83 PolarHBondContact O-N 3.09Å; Q80-Q84 VanDerWaalsContact O-CB 3.26Å; Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 PolarHBondContact O-N 3.38Å; Q80-V109 PolarHBondContact NE2-O 2.99Å
81I78.6Confident72.5Confident119 Ų11981.5 Ų81.561%0.6144%0.443SS*.Hα-helixtrans-60.7-44.7176.4-68.2164.5000111.1G77 S78 Y79 Q84 V85G77-I81 WeakPolarHBondContact O-CD1 3.3Å; G77-I81 VanDerWaalsContact O-CG1 3.27Å; G77-I81 WeakPolarHBondContact O-CG1 3.44Å; G77-I81 PolarHBondContact O-N 3.15Å; G77-I81 VanDerWaalsContact O-N 3.09Å; S78-I81 PolarHBondContact O-N 3.4Å; Y79-I81 VanDerWaalsContact C-N 3.29Å; Y79-I81 PolarHBondContact O-N 3.13Å; I81-Q84 PolarHBondContact O-N 3Å; I81-V85 VanDerWaalsContact O-CG2 3.29Å; I81-V85 WeakPolarHBondContact O-CG2 3.36Å; I81-V85 PolarHBondContact O-N 3.04Å
82S74.9Confident70.8Confident56 Ų5684 Ų8439%0.39245%0.452SS..Hα-helixtrans-67-42.9-179.961.50000113.1S78 Y79 Q80 V85 V86S78-S82 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-OG 3.34Å; Y79-S82 WeakPolarHBondContact CA-OG 3.28Å; Y79-S82 PolarHBondContact O-N 3.3Å; Y79-S82 PolarHBondContact O-OG 3Å; Q80-S82 PolarHBondContact O-N 3.08Å; S82-V85 PolarHBondContact O-N 2.75Å; S82-V86 WeakPolarHBondContact O-CB 3.19Å; S82-V86 VanDerWaalsContact O-CG2 3.28Å; S82-V86 WeakPolarHBondContact O-CG2 3.44Å; S82-V86 PolarHBondContact O-N 2.95Å
83E69.1Low69.7Low36 Ų3687.8 Ų87.817%0.16847%0.466CS..Hα-helixtrans-65.2-39.4177.3-86.8-74133.400112Y79 Q80 V85 V86 H87 R110Y79-E83 HydrophobicContact CE1-CG 4.03Å; Y79-E83 HydrophobicContact CE2-CG 4.03Å; Y79-E83 PolarHBondContact O-N 3.42Å; Q80-E83 PolarHBondContact O-N 3.09Å; E83-V85 PolarHBondContact O-N 2.84Å; E83-V86 PolarHBondContact O-N 2.86Å; E83-H87 PolarHBondContact O-N 2.91Å; E83-R110 WeakPolarHBondContact OE2-CD 3.48Å; E83-R110 IonicContact OE2-CZ 3.17Å; E83-R110 IonicContact OE2-NE 2.72Å; E83-R110 IonicContact OE2-NH1 3.52Å; E83-R110 PolarHBondContact OE2-NH1 3.03Å
84Q67.6Low68.5Low141 Ų14188.1 Ų88.166%0.65946%0.463SS*.Hα-helixtrans-63.8-29.1177.7-15590.6-0.400112.6Q80 I81Q80-Q84 VanDerWaalsContact O-CB 3.26Å; Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 PolarHBondContact O-N 3.38Å; I81-Q84 PolarHBondContact O-N 3Å
85V70Confident67.5Low116 Ų11685.2 Ų85.270%0.70345%0.452SS*.Hα-helixtrans-85-35.7179.2169.80000112.2I81 S82 E83I81-V85 VanDerWaalsContact O-CG2 3.29Å; I81-V85 WeakPolarHBondContact O-CG2 3.36Å; I81-V85 PolarHBondContact O-N 3.04Å; S82-V85 PolarHBondContact O-N 2.75Å; E83-V85 PolarHBondContact O-N 2.84Å
86V67Low66.6Low94 Ų9491.1 Ų91.157%0.5748%0.477SS*.Hα-helixtrans-95.4-35.8-166.7178.60000114.3S82 E83S82-V86 WeakPolarHBondContact O-CB 3.19Å; S82-V86 VanDerWaalsContact O-CG2 3.28Å; S82-V86 WeakPolarHBondContact O-CG2 3.44Å; S82-V86 PolarHBondContact O-N 2.95Å; E83-V86 PolarHBondContact O-N 2.86Å
87H58Low65.8Low64 Ų6496.3 Ų96.330%0.29650%0.496SS..  trans-135.6105.4-169.2-72.1-38.3000115E83 Y93 R110E83-H87 PolarHBondContact O-N 2.91Å; H87-Y93 AromaticContact CD2-CE1 3.68Å; H87-Y93 AromaticContact CE1-CZ 3.96Å; H87-Y93 AromaticContact NE2-CE1 3.46Å; H87-Y93 WeakPolarHBondContact NE2-CE1 3.47Å; H87-Y93 AromaticContact NE2-CZ 3.7Å; H87-Y93 PolarHBondContact NE2-OH 3.27Å; H87-R110 PolarHBondContact O-NH1 3.02Å; H87-R110 PolarHBondContact O-NH2 3.47Å
88K51.6Low65.1Low191 Ų19198.9 Ų98.983%0.8351%0.509SS*.  trans-93.6-15.1-163.1-136176.4-174.2178.70118.3
89N53.2Low64.4Low153 Ų15398.6 Ų98.682%0.81850%0.502SS*.SBendtrans-158.4-8-178.9-105.6-17.9000122R91N89-R91 PolarHBondContact O-N 2.66Å
90D54.1Low63.7Low113 Ų11398.7 Ų98.760%0.60451%0.505SS*.  trans-86.5113.8-171.4-80.9-39.5000116
91R50.4Low63.1Low204 Ų204100.4 Ų100.477%0.7752%0.518SS*.THydrogen-bonded Turntrans-67.2-33.7173.4-73.2179.9173.8164.1-1.6113.5N89N89-R91 PolarHBondContact O-N 2.66Å
92T53.9Low62.8Low112 Ų11299.1 Ų99.169%0.68751%0.512SS*.THydrogen-bonded Turntrans-77.7-25.5-177.343.30000113.1I94T92-I94 VanDerWaalsContact C-N 3.32Å; T92-I94 PolarHBondContact O-N 2.68Å
93Y61.6Low62.8Low89 Ų89100.8 Ų100.835%0.34951%0.512SS..THydrogen-bonded Turntrans-65.1-33.3-179.1-171.7-98.7000113.1H87 R97H87-Y93 AromaticContact CD2-CE1 3.68Å; H87-Y93 AromaticContact CE1-CZ 3.96Å; H87-Y93 AromaticContact NE2-CE1 3.46Å; H87-Y93 WeakPolarHBondContact NE2-CE1 3.47Å; H87-Y93 AromaticContact NE2-CZ 3.7Å; H87-Y93 PolarHBondContact NE2-OH 3.27Å; Y93-R97 PolarHBondContact OH-NH1 3.39Å
94I60.2Low62.9Low41 Ų41102 Ų10221%0.2152%0.515CS..THydrogen-bonded Turntrans-75.1-31.8-171.2-61.1173.4000112.8T92 T100T92-I94 VanDerWaalsContact C-N 3.32Å; T92-I94 PolarHBondContact O-N 2.68Å; I94-T100 PolarHBondContact O-OG1 2.93Å
95C64.1Low63.2Low56 Ų5695.6 Ų95.638%0.37849%0.486SS..THydrogen-bonded Turntrans-91.1-9.2-175.7-65.90000114.2C285C95-C285 HydrophobicContact CB-CB 3.84Å; C95-C285 WeakPolarHBondContact CB-SG 3.48Å; C95-C285 WeakPolarHBondContact SG-CB 3.39Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 2.99Å
96N63Low63.6Low150 Ų15092.8 Ų92.880%0.80247%0.466SS*.SBendtrans-1050.3-168.1-152.919.3000114.6
97R65.2Low63.9Low119 Ų11988.3 Ų88.345%0.44944%0.44SS..  trans-122.1120.4-170.8-172.2172.8178.9150.77.9111.9Y93 D99 T100Y93-R97 PolarHBondContact OH-NH1 3.39Å; R97-D99 HydrophobicContact CG-CB 4.25Å; R97-D99 IonicContact CZ-OD2 2.73Å; R97-D99 VanDerWaalsContact CZ-OD2 3.31Å; R97-D99 IonicContact NE-OD2 2.81Å; R97-D99 PolarHBondContact NE-OD2 3.29Å; R97-D99 IonicContact NH2-OD2 2.81Å; R97-D99 PolarHBondContact NH2-OD2 2.69Å; R97-D99 PolarHBondContact O-N 2.86Å; R97-D99 VanDerWaalsContact O-N 3.14Å; R97-T100 HydrophobicContact CB-CG2 4.19Å; R97-T100 PolarHBondContact O-N 2.66Å; R97-T100 PolarHBondContact O-OG1 3.36Å
98S65.5Low64.8Low86 Ų8686.6 Ų86.660%0.60143%0.432SS*.Hα-helixtrans-47.4-43.7-179.646.60000113.5T100 T101 L102S98-T100 PolarHBondContact O-N 3.26Å; S98-T101 PolarHBondContact O-N 3.18Å; S98-T101 PolarHBondContact O-OG1 3.33Å; S98-L102 PolarHBondContact O-N 2.96Å; S98-L102 VanDerWaalsContact O-N 3.15Å
99D67.2Low65.8Low67 Ų6778.6 Ų78.636%0.35840%0.399SS..Hα-helixtrans-53.5-40.9-179.5-49.9-20.5000112.1R97 L102 F103R97-D99 HydrophobicContact CG-CB 4.25Å; R97-D99 IonicContact CZ-OD2 2.73Å; R97-D99 VanDerWaalsContact CZ-OD2 3.31Å; R97-D99 IonicContact NE-OD2 2.81Å; R97-D99 PolarHBondContact NE-OD2 3.29Å; R97-D99 IonicContact NH2-OD2 2.81Å; R97-D99 PolarHBondContact NH2-OD2 2.69Å; R97-D99 PolarHBondContact O-N 2.86Å; R97-D99 VanDerWaalsContact O-N 3.14Å; D99-L102 PolarHBondContact O-N 3.11Å; D99-F103 HydrophobicContact CB-CE2 4.33Å; D99-F103 WeakPolarHBondContact O-CD2 3.47Å; D99-F103 PolarHBondContact O-N 2.89Å
100T65.6Low66.6Low32 Ų3274.1 Ų74.120%0.19637%0.371CS..Hα-helixtrans-69.1-36.1-179.268.20000112.2I94 R97 S98 L102 R104I94-T100 PolarHBondContact O-OG1 2.93Å; R97-T100 HydrophobicContact CB-CG2 4.19Å; R97-T100 PolarHBondContact O-N 2.66Å; R97-T100 PolarHBondContact O-OG1 3.36Å; S98-T100 PolarHBondContact O-N 3.26Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.46Å; T100-R104 WeakPolarHBondContact O-CB 3.45Å; T100-R104 PolarHBondContact O-N 3.47Å
101T65Low67.5Low69 Ų6972.8 Ų72.842%0.42336%0.36SS..Hα-helixtrans-66.8-36175.770.30000111.1S98 R104 S105S98-T101 PolarHBondContact O-N 3.18Å; S98-T101 PolarHBondContact O-OG1 3.33Å; T101-R104 PolarHBondContact O-N 2.95Å; T101-S105 WeakPolarHBondContact O-CB 3.45Å; T101-S105 PolarHBondContact O-N 3.37Å; T101-S105 PolarHBondContact O-OG 3.26Å
102L70.9Confident68.2Low93 Ų9364.6 Ų64.649%0.48733%0.33SS..Hα-helixtrans-69.2-49.3177-162.3147.2000110.5S98 D99 T100 R104 S105 I106S98-L102 PolarHBondContact O-N 2.96Å; S98-L102 VanDerWaalsContact O-N 3.15Å; D99-L102 PolarHBondContact O-N 3.11Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.46Å; L102-R104 PolarHBondContact O-N 3.26Å; L102-S105 PolarHBondContact O-N 2.95Å; L102-S105 PolarHBondContact O-OG 3.31Å; L102-I106 HydrophobicContact CD2-CD1 3.65Å; L102-I106 HydrophobicContact CD2-CG1 4.43Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.39Å
103F75Confident68.5Low90 Ų9064.1 Ų64.140%0.39533%0.329SS..Hα-helixtrans-57.6-45.6171.7-70.2-56.4000112.4D99 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CE2 4.33Å; D99-F103 WeakPolarHBondContact O-CD2 3.47Å; D99-F103 PolarHBondContact O-N 2.89Å; F103-S105 VanDerWaalsContact C-N 3.3Å; F103-S105 PolarHBondContact O-N 2.95Å; F103-I106 WeakPolarHBondContact O-CB 3.39Å; F103-I106 PolarHBondContact O-N 3.24Å; F103-G107 PolarHBondContact O-N 3.5Å; F103-L108 HydrophobicContact CD1-CD1 4.01Å; F103-L108 VanDerWaalsContact O-CA 3.32Å; F103-L108 WeakPolarHBondContact O-CA 3.42Å; F103-L108 PolarHBondContact O-N 2.87Å
104R71.5Confident68.3Low63 Ų6364.9 Ų64.924%0.23834%0.343CS..Hα-helixtrans-58.6-40177.6-164.6177.180.4154.315.9112.2T100 T101 L102 G107 V109 S283T100-R104 WeakPolarHBondContact O-CB 3.45Å; T100-R104 PolarHBondContact O-N 3.47Å; T101-R104 PolarHBondContact O-N 2.95Å; L102-R104 PolarHBondContact O-N 3.26Å; R104-G107 PolarHBondContact O-N 3.07Å; R104-V109 HydrophobicContact CG-CG2 4.4Å; R104-S283 PolarHBondContact NH1-O 2.94Å; R104-S283 PolarHBondContact NH2-O 3.43Å
105S74.3Confident68Low5 Ų564.7 Ų64.74%0.03535%0.352CS..Hα-helixtrans-72.1-33.7176.674.70000114S29 F30 T101 L102 F103 G107S29-S105 WeakPolarHBondContact CA-O 3.46Å; S29-S105 WeakPolarHBondContact CB-O 3.48Å; F30-S105 WeakPolarHBondContact CD2-O 3.38Å; F30-S105 PolarHBondContact N-O 3.09Å; T101-S105 WeakPolarHBondContact O-CB 3.45Å; T101-S105 PolarHBondContact O-N 3.37Å; T101-S105 PolarHBondContact O-OG 3.26Å; L102-S105 PolarHBondContact O-N 2.95Å; L102-S105 PolarHBondContact O-OG 3.31Å; F103-S105 VanDerWaalsContact C-N 3.3Å; F103-S105 PolarHBondContact O-N 2.95Å; S105-G107 PolarHBondContact O-N 3.29Å
106I78.8Confident67.6Low57 Ų5768.6 Ų68.629%0.29237%0.374SS..Hα-helixtrans-59.9-39168.4-70.4169.3000109.8S29 L31 L102 F103 L108S29-I106 WeakPolarHBondContact CB-O 3.44Å; S29-I106 PolarHBondContact OG-O 2.94Å; L31-I106 WeakPolarHBondContact CB-O 3.42Å; L31-I106 HydrophobicContact CD1-CG2 4.04Å; L31-I106 WeakPolarHBondContact CD1-O 3.45Å; L31-I106 HydrophobicContact CG-CG2 4.27Å; L31-I106 WeakPolarHBondContact CG-O 3.18Å; L31-I106 PolarHBondContact N-O 3.35Å; L31-I106 VanDerWaalsContact N-O 3.12Å; L102-I106 HydrophobicContact CD2-CD1 3.65Å; L102-I106 HydrophobicContact CD2-CG1 4.43Å; L102-I106 WeakPolarHBondContact O-CG1 3.47Å; L102-I106 PolarHBondContact O-N 3.39Å; F103-I106 WeakPolarHBondContact O-CB 3.39Å; F103-I106 PolarHBondContact O-N 3.24Å; I106-L108 HydrophobicContact CG2-CD1 4.38Å
107G72.1Confident67.3Low1 Ų169.1 Ų69.11%0.0137%0.369CS..THydrogen-bonded Turntrans120.67.9-176.100000113R27 F103 R104 S105 V109R27-G107 VanDerWaalsContact CZ-O 3.28Å; R27-G107 PolarHBondContact NE-O 3.22Å; R27-G107 PolarHBondContact NH2-O 2.81Å; F103-G107 PolarHBondContact O-N 3.5Å; R104-G107 PolarHBondContact O-N 3.07Å; S105-G107 PolarHBondContact O-N 3.29Å; G107-V109 PolarHBondContact O-N 3.34Å
108L76.6Confident67.1Low27 Ų2767 Ų6714%0.14136%0.364CS..  trans-64.473.7171.157.166.5000112.9G75 V76 Y79 F103 I106G75-L108 WeakPolarHBondContact O-CD2 3.35Å; V76-L108 HydrophobicContact CG2-CD2 4.38Å; Y79-L108 HydrophobicContact CD1-CB 3.65Å; Y79-L108 HydrophobicContact CD2-CB 4.3Å; Y79-L108 HydrophobicContact CD2-CD1 4.07Å; Y79-L108 HydrophobicContact CE1-CB 4.05Å; Y79-L108 HydrophobicContact CG-CB 3.78Å; Y79-L108 HydrophobicContact CG-CD1 4.24Å; Y79-L108 HydrophobicContact CG-CD2 4.33Å; Y79-L108 HydrophobicContact CG-CG 4.32Å; F103-L108 HydrophobicContact CD1-CD1 4.01Å; F103-L108 VanDerWaalsContact O-CA 3.32Å; F103-L108 WeakPolarHBondContact O-CA 3.42Å; F103-L108 PolarHBondContact O-N 2.87Å; I106-L108 HydrophobicContact CG2-CD1 4.38Å
109V72.7Confident66.8Low23 Ų2363.2 Ų63.214%0.13934%0.338CS..  trans-108119.9-171.1-175.30000112.1Q80 R104 G107 W288Q80-V109 PolarHBondContact NE2-O 2.99Å; R104-V109 HydrophobicContact CG-CG2 4.4Å; G107-V109 PolarHBondContact O-N 3.34Å; V109-W288 HydrophobicContact CG1-CE3 4.35Å; V109-W288 HydrophobicContact CG1-CZ3 3.94Å
110R70.8Confident66.8Low59 Ų5961.4 Ų61.422%0.22333%0.33CS..PPolyproline II helixtrans-64.4142.9178.2-176.6176.9176.7145.8-2.1112.2E83 H87 W288E83-R110 WeakPolarHBondContact OE2-CD 3.48Å; E83-R110 IonicContact OE2-CZ 3.17Å; E83-R110 IonicContact OE2-NE 2.72Å; E83-R110 IonicContact OE2-NH1 3.52Å; E83-R110 PolarHBondContact OE2-NH1 3.03Å; H87-R110 PolarHBondContact O-NH1 3.02Å; H87-R110 PolarHBondContact O-NH2 3.47Å; R110-W288 HydrophobicContact CB-CH2 4.18Å; R110-W288 VanDerWaalsContact O-CH2 3.32Å; R110-W288 WeakPolarHBondContact O-CH2 3.44Å; R110-W288 VanDerWaalsContact O-CZ3 3.31Å; R110-W288 WeakPolarHBondContact O-CZ3 3.47Å
111F72Confident66.9Low86 Ų8661.5 Ų61.538%0.37733%0.326SS..PPolyproline II helixtrans-73.3135172.2172.8-106.4000112.2P113 F123F111-P113 HydrophobicContact CE1-CB 4.37Å; F111-F123 HydrophobicContact CD2-CD1 4.36Å; F111-F123 AromaticContact CD2-CE1 3.89Å; F111-F123 HydrophobicContact CD2-CE1 3.89Å; F111-F123 AromaticContact CE2-CE1 3.89Å; F111-F123 HydrophobicContact CE2-CE1 3.89Å
112H66.6Low67.1Low31 Ų3158.4 Ų58.414%0.14431%0.308CS..PPolyproline II helixtrans-103.7123.2177.9-161.9-99.5000111.1T114 S119 W288 W289H112-T114 VanDerWaalsContact C-N 3.32Å; H112-T114 PolarHBondContact CE1-OG1 3.48Å; H112-T114 PolarHBondContact ND1-OG1 3.14Å; H112-T114 VanDerWaalsContact ND1-OG1 3.09Å; H112-T114 PolarHBondContact O-N 3.19Å; H112-S119 WeakPolarHBondContact O-CB 3.38Å; H112-S119 PolarHBondContact O-OG 3.34Å; H112-W288 HydrophobicContact CB-CH2 4.3Å; H112-W288 AromaticContact CD2-CZ2 4Å; H112-W289 HydrophobicContact CB-CB 4.42Å
113P60.1Low67.4Low103 Ų10357.9 Ų57.967%0.66930%0.302SS*.THydrogen-bonded Turntrans-80.94.7-165.829.4-34.9000116.4F111F111-P113 HydrophobicContact CE1-CB 4.37Å
114T57.7Low67.5Low104 Ų10455.7 Ų55.764%0.63829%0.294SS*.THydrogen-bonded Turntrans-126.919-16657.70000116H112H112-T114 VanDerWaalsContact C-N 3.32Å; H112-T114 PolarHBondContact CE1-OG1 3.48Å; H112-T114 PolarHBondContact ND1-OG1 3.14Å; H112-T114 VanDerWaalsContact ND1-OG1 3.09Å; H112-T114 PolarHBondContact O-N 3.19Å
115G52.8Low67.8Low38 Ų3852.7 Ų52.739%0.39228%0.283SS..  trans-144.3127.8-177.200000116S119G115-S119 VanDerWaalsContact O-CB 3.27Å; G115-S119 WeakPolarHBondContact O-CB 3.31Å; G115-S119 PolarHBondContact O-OG 2.88Å
116T56.2Low68.3Low137 Ų13753 Ų5384%0.8428%0.284SS*.THydrogen-bonded Turntrans-71.2141.7174.742.10000113E118T116-E118 PolarHBondContact O-N 3.49Å
117F57Low68.5Low162 Ų16254.6 Ų54.671%0.71129%0.292SS*.THydrogen-bonded Turntrans54.6-49.4-177.1-145.6-91.7000117.1S119 T120F117-S119 PolarHBondContact O-N 3Å; F117-T120 VanDerWaalsContact O-CB 3.26Å; F117-T120 WeakPolarHBondContact O-CB 3.46Å; F117-T120 VanDerWaalsContact O-CG2 3.31Å; F117-T120 WeakPolarHBondContact O-CG2 3.46Å; F117-T120 PolarHBondContact O-N 3.35Å; F117-T120 PolarHBondContact O-OG1 3.08Å
118E60.5Low69.2Low73 Ų7356.8 Ų56.834%0.34130%0.303SS..G310 helixtrans-64.2-40.2-178.7-66.1-160.1123.500113T116 T120 R121 F291T116-E118 PolarHBondContact O-N 3.49Å; E118-T120 PolarHBondContact O-N 3.46Å; E118-R121 VanDerWaalsContact O-CB 3.23Å; E118-R121 WeakPolarHBondContact O-CB 3.44Å; E118-R121 PolarHBondContact O-N 2.9Å; E118-R121 VanDerWaalsContact O-N 3.08Å; E118-F291 PolarHBondContact OE1-N 2.8Å
119S60.1Low69.7Low8 Ų855.5 Ų55.56%0.05630%0.297CS..G310 helixtrans-65.9-9.8175-61.60000113.2H112 G115 F117 R121H112-S119 WeakPolarHBondContact O-CB 3.38Å; H112-S119 PolarHBondContact O-OG 3.34Å; G115-S119 VanDerWaalsContact O-CB 3.27Å; G115-S119 WeakPolarHBondContact O-CB 3.31Å; G115-S119 PolarHBondContact O-OG 2.88Å; F117-S119 PolarHBondContact O-N 3Å; S119-R121 VanDerWaalsContact C-N 3.26Å; S119-R121 PolarHBondContact O-N 2.89Å
120T66Low70.4Confident29 Ų2956.3 Ų56.318%0.17830%0.302CS..G310 helixtrans-73-18173.877.30000112.7F117 E118 A122 F123 L124F117-T120 VanDerWaalsContact O-CB 3.26Å; F117-T120 WeakPolarHBondContact O-CB 3.46Å; F117-T120 VanDerWaalsContact O-CG2 3.31Å; F117-T120 WeakPolarHBondContact O-CG2 3.46Å; F117-T120 PolarHBondContact O-N 3.35Å; F117-T120 PolarHBondContact O-OG1 3.08Å; E118-T120 PolarHBondContact O-N 3.46Å; T120-A122 PolarHBondContact O-N 2.72Å; T120-F123 HydrophobicContact CG2-CE2 4.07Å; T120-F123 HydrophobicContact CG2-CZ 3.74Å; T120-F123 PolarHBondContact O-N 2.66Å; T120-L124 VanDerWaalsContact O-CB 3.22Å; T120-L124 WeakPolarHBondContact O-CB 3.29Å; T120-L124 PolarHBondContact O-N 3.09Å
121R67.6Low71.1Confident33 Ų3356.5 Ų56.513%0.12531%0.312CS..G310 helixtrans-47.7-31.2176177.7179.7175.2175.1-2.6114.1I26 E118 S119 P125 K290 F291I26-R121 HydrophobicContact CG2-CG 4.5Å; E118-R121 VanDerWaalsContact O-CB 3.23Å; E118-R121 WeakPolarHBondContact O-CB 3.44Å; E118-R121 PolarHBondContact O-N 2.9Å; E118-R121 VanDerWaalsContact O-N 3.08Å; S119-R121 VanDerWaalsContact C-N 3.26Å; S119-R121 PolarHBondContact O-N 2.89Å; R121-P125 WeakPolarHBondContact O-CD 3.4Å; R121-K290 PolarHBondContact NH1-O 3.41Å; R121-K290 VanDerWaalsContact NH1-O 3.09Å; R121-F291 HydrophobicContact CG-CE2 4.38Å
122A68.9Low71.8Confident5 Ų552.9 Ų52.94%0.04130%0.298CS..G310 helixtrans-67.6-30.7178.800000113.9T120T120-A122 PolarHBondContact O-N 2.72Å
123F78.1Confident72.7Confident81 Ų8151.4 Ų51.436%0.35529%0.291SS..THydrogen-bonded Turntrans-128.9-23.4-171.456.7-100.1000115.2F111 T120 P125 E126 I127F111-F123 HydrophobicContact CD2-CD1 4.36Å; F111-F123 AromaticContact CD2-CE1 3.89Å; F111-F123 HydrophobicContact CD2-CE1 3.89Å; F111-F123 AromaticContact CE2-CE1 3.89Å; F111-F123 HydrophobicContact CE2-CE1 3.89Å; T120-F123 HydrophobicContact CG2-CE2 4.07Å; T120-F123 HydrophobicContact CG2-CZ 3.74Å; T120-F123 PolarHBondContact O-N 2.66Å; F123-P125 VanDerWaalsContact C-CD 3.42Å; F123-E126 WeakPolarHBondContact O-CB 3.28Å; F123-E126 PolarHBondContact O-N 2.81Å; F123-E126 VanDerWaalsContact O-N 3.15Å; F123-I127 HydrophobicContact CD2-CD1 3.84Å; F123-I127 HydrophobicContact CE2-CD1 4.46Å; F123-I127 PolarHBondContact O-N 3.04Å
124L76.8Confident74Confident44 Ų4450.6 Ų50.623%0.2328%0.281CS..Hα-helixtrans-54.8-41.1178.5-16878.1000113.8I26 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.19Å; T120-L124 VanDerWaalsContact O-CB 3.22Å; T120-L124 WeakPolarHBondContact O-CB 3.29Å; T120-L124 PolarHBondContact O-N 3.09Å; L124-E126 VanDerWaalsContact C-N 3.32Å; L124-E126 PolarHBondContact O-N 2.66Å; L124-I127 PolarHBondContact O-N 2.86Å; L124-I128 HydrophobicContact CD2-CD1 4.36Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 3.04Å
125P78.3Confident75.4Confident1 Ų149.5 Ų49.51%0.00627%0.27CS..Hα-helixtrans-58.4-42.5175.8-24.834.9000113A23 I26 R27 R121 F123 I127 I128 A129A23-P125 HydrophobicContact CB-CB 4.09Å; I26-P125 HydrophobicContact CB-CG 4.04Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; R27-P125 HydrophobicContact CB-CG 3.87Å; R121-P125 WeakPolarHBondContact O-CD 3.4Å; F123-P125 VanDerWaalsContact C-CD 3.42Å; P125-I127 VanDerWaalsContact C-N 3.35Å; P125-I127 PolarHBondContact O-N 2.93Å; P125-I128 PolarHBondContact O-N 3.25Å; P125-A129 WeakPolarHBondContact O-CB 3.38Å; P125-A129 PolarHBondContact O-N 3.04Å
126E83.9Confident76.9Confident11 Ų1147.7 Ų47.75%0.05125%0.252CS..Hα-helixtrans-66.1-40.2-178.4-51-59157.400110.4R27 Y35 V72 A73 V76 F123 L124 T130R27-E126 IonicContact CZ-OE1 2.67Å; R27-E126 IonicContact NH1-OE1 3.21Å; R27-E126 PolarHBondContact NH1-OE1 3.27Å; R27-E126 IonicContact NH2-OE1 3.09Å; R27-E126 PolarHBondContact NH2-OE1 3.09Å; Y35-E126 PolarHBondContact OH-OE1 2.77Å; Y35-E126 PolarHBondContact OH-OE2 3.39Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.37Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.37Å; A73-E126 HydrophobicContact CB-CB 4.4Å; V76-E126 HydrophobicContact CG2-CG 4.33Å; F123-E126 WeakPolarHBondContact O-CB 3.28Å; F123-E126 PolarHBondContact O-N 2.81Å; F123-E126 VanDerWaalsContact O-N 3.15Å; L124-E126 VanDerWaalsContact C-N 3.32Å; L124-E126 PolarHBondContact O-N 2.66Å; E126-T130 VanDerWaalsContact O-CB 3.28Å; E126-T130 WeakPolarHBondContact O-CB 3.42Å; E126-T130 VanDerWaalsContact O-CG2 3.27Å; E126-T130 WeakPolarHBondContact O-CG2 3.31Å; E126-T130 PolarHBondContact O-N 3.4Å; E126-T130 PolarHBondContact O-OG1 3.45Å
127I84.7Confident78.3Confident91 Ų9142.3 Ų42.347%0.46722%0.218SC..Hα-helixtrans-63.9-46.1176.2-62.9173000110.8F123 L124 P125 T130 S131F123-I127 HydrophobicContact CD2-CD1 3.84Å; F123-I127 HydrophobicContact CE2-CD1 4.46Å; F123-I127 PolarHBondContact O-N 3.04Å; L124-I127 PolarHBondContact O-N 2.86Å; P125-I127 VanDerWaalsContact C-N 3.35Å; P125-I127 PolarHBondContact O-N 2.93Å; I127-T130 PolarHBondContact O-OG1 3.28Å; I127-S131 WeakPolarHBondContact O-CB 3.48Å; I127-S131 PolarHBondContact O-N 3.2Å; I127-S131 PolarHBondContact O-OG 2.7Å
128I86.5Confident79.6Confident46 Ų4638 Ų3824%0.23620%0.201CC..Hα-helixtrans-63.3-47179.1-67.7166.5000110.5A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 4.05Å; A19-I128 WeakPolarHBondContact O-CG2 3.32Å; I26-I128 HydrophobicContact CD1-CD1 3.62Å; L124-I128 HydrophobicContact CD2-CD1 4.36Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 3.04Å; P125-I128 PolarHBondContact O-N 3.25Å; I128-S131 PolarHBondContact O-OG 3.28Å; I128-A132 VanDerWaalsContact O-CB 3.3Å; I128-A132 WeakPolarHBondContact O-CB 3.34Å; I128-A132 PolarHBondContact O-N 3.47Å; I128-A132 VanDerWaalsContact O-N 3.13Å
129A85.8Confident80.6Confident1 Ų135.7 Ų35.71%0.00819%0.191CC..Hα-helixtrans-68-47.9-178.200000112.3A23 Y35 C69 P125 A133A23-A129 HydrophobicContact CB-CB 4.16Å; Y35-A129 HydrophobicContact CE1-CB 4.15Å; C69-A129 HydrophobicContact CB-CB 4.46Å; P125-A129 WeakPolarHBondContact O-CB 3.38Å; P125-A129 PolarHBondContact O-N 3.04Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 2.77Å
130T87.3Confident81.4Confident40 Ų4035.6 Ų35.625%0.24519%0.19CC..Hα-helixtrans-67-41.1179.755.30000112.7C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.84Å; A73-T130 HydrophobicContact CB-CG2 4.09Å; E126-T130 VanDerWaalsContact O-CB 3.28Å; E126-T130 WeakPolarHBondContact O-CB 3.42Å; E126-T130 VanDerWaalsContact O-CG2 3.27Å; E126-T130 WeakPolarHBondContact O-CG2 3.31Å; E126-T130 PolarHBondContact O-N 3.4Å; E126-T130 PolarHBondContact O-OG1 3.45Å; I127-T130 PolarHBondContact O-OG1 3.28Å; T130-A133 PolarHBondContact O-N 3.36Å; T130-L134 VanDerWaalsContact O-CB 3.29Å; T130-L134 WeakPolarHBondContact O-CB 3.12Å; T130-L134 PolarHBondContact O-N 3.32Å
131S86.7Confident81.9Confident63 Ų6338.2 Ų38.244%0.44120%0.201SC..Hα-helixtrans-66.8-41.517862.30000112.5I127 I128 L134 L135I127-S131 WeakPolarHBondContact O-CB 3.48Å; I127-S131 PolarHBondContact O-N 3.2Å; I127-S131 PolarHBondContact O-OG 2.7Å; I128-S131 PolarHBondContact O-OG 3.28Å; S131-L134 PolarHBondContact O-N 3.47Å; S131-L135 WeakPolarHBondContact O-CB 3.32Å; S131-L135 PolarHBondContact O-N 3.28Å
132A86Confident82.2Confident10 Ų1044.7 Ų44.78%0.08323%0.23CC..Hα-helixtrans-66.4-42.1174.400000112.1A19 I128 L135 T136A19-A132 HydrophobicContact CB-CB 3.41Å; A19-A132 VanDerWaalsContact CB-CB 3.41Å; I128-A132 VanDerWaalsContact O-CB 3.3Å; I128-A132 WeakPolarHBondContact O-CB 3.34Å; I128-A132 PolarHBondContact O-N 3.47Å; I128-A132 VanDerWaalsContact O-N 3.13Å; A132-L135 PolarHBondContact O-N 2.98Å; A132-T136 WeakPolarHBondContact O-CB 3.21Å; A132-T136 WeakPolarHBondContact O-CG2 3.35Å; A132-T136 PolarHBondContact O-N 2.91Å; A132-T136 PolarHBondContact O-OG1 2.69Å; A132-T136 VanDerWaalsContact O-OG1 3.13Å
133A85.8Confident82.2Confident0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-61-43.6174.600000111.8F66 A129 T130 T136 I137F66-A133 HydrophobicContact CB-CB 4.23Å; F66-A133 HydrophobicContact CD2-CB 4.2Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 3.29Å; A129-A133 PolarHBondContact O-N 2.77Å; T130-A133 PolarHBondContact O-N 3.36Å; A133-T136 PolarHBondContact O-N 3.37Å; A133-T136 PolarHBondContact O-OG1 3.43Å; A133-I137 PolarHBondContact O-N 2.99Å
134L88.1Confident81.2Confident86 Ų8646.4 Ų46.445%0.4525%0.249SC..Hα-helixtrans-63.4-47.5175.4-173.274.2000111.9F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.11Å; T130-L134 VanDerWaalsContact O-CB 3.29Å; T130-L134 WeakPolarHBondContact O-CB 3.12Å; T130-L134 PolarHBondContact O-N 3.32Å; S131-L134 PolarHBondContact O-N 3.47Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 3.44Å; L134-I137 WeakPolarHBondContact O-CB 3.36Å; L134-I137 PolarHBondContact O-N 3.06Å; L134-I138 HydrophobicContact CG-CD1 4.04Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 2.89Å
135L86.3Confident80.2Confident80 Ų8046.7 Ų46.742%0.41925%0.249SC..Hα-helixtrans-59.7-41.6178.1-166.191.8000111.4L15 S131 A132 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.62Å; S131-L135 WeakPolarHBondContact O-CB 3.32Å; S131-L135 PolarHBondContact O-N 3.28Å; A132-L135 PolarHBondContact O-N 2.98Å; L135-I138 PolarHBondContact O-N 2.98Å; L135-I139 HydrophobicContact CD2-CD1 4Å; L135-I139 HydrophobicContact CG-CD1 3.9Å; L135-I139 WeakPolarHBondContact O-CB 3.4Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3Å
136T84.1Confident78.7Confident0 Ų054.2 Ų54.20%028%0.278CS..Hα-helixtrans-69.3-37.1177.462.70000112.4V11 L16 A132 A133 L134 V140V11-T136 HydrophobicContact CG1-CG2 3.36Å; L16-T136 HydrophobicContact CB-CG2 3.89Å; L16-T136 HydrophobicContact CD1-CG2 3.98Å; L16-T136 HydrophobicContact CG-CG2 4.37Å; A132-T136 WeakPolarHBondContact O-CB 3.21Å; A132-T136 WeakPolarHBondContact O-CG2 3.35Å; A132-T136 PolarHBondContact O-N 2.91Å; A132-T136 PolarHBondContact O-OG1 2.69Å; A132-T136 VanDerWaalsContact O-OG1 3.13Å; A133-T136 PolarHBondContact O-N 3.37Å; A133-T136 PolarHBondContact O-OG1 3.43Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 3.44Å; T136-V140 WeakPolarHBondContact O-CB 3.17Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 3.2Å
137I85.4Confident76.6Confident25 Ų2560.6 Ų60.613%0.12831%0.312CS..Hα-helixtrans-56.4-49.8168.4-83.9179.2000110.9V62 F66 A133 L134 V140 M141 F142V62-I137 HydrophobicContact CG1-CB 4.38Å; V62-I137 HydrophobicContact CG1-CG1 3.45Å; V62-I137 VanDerWaalsContact CG1-CG1 3.45Å; F66-I137 HydrophobicContact CB-CD1 3.42Å; F66-I137 VanDerWaalsContact CB-CD1 3.42Å; F66-I137 HydrophobicContact CB-CG1 4.45Å; F66-I137 HydrophobicContact CD1-CD1 3.78Å; F66-I137 HydrophobicContact CD2-CD1 3.87Å; F66-I137 HydrophobicContact CG-CD1 3.41Å; F66-I137 VanDerWaalsContact CG-CD1 3.41Å; A133-I137 PolarHBondContact O-N 2.99Å; L134-I137 WeakPolarHBondContact O-CB 3.36Å; L134-I137 PolarHBondContact O-N 3.06Å; I137-V140 PolarHBondContact O-N 2.67Å; I137-M141 WeakPolarHBondContact O-CB 3.39Å; I137-M141 PolarHBondContact O-N 3.41Å; I137-F142 HydrophobicContact CG2-CD2 4.4Å; I137-F142 HydrophobicContact CG2-CE2 4.4Å
138I84.5Confident74.6Confident72 Ų7262.9 Ų62.937%0.36932%0.321SS..Iπ-helixtrans-61.9-49.4-177.6-67.2163.5000110.9L134 L135 V140 F142 L143L134-I138 HydrophobicContact CG-CD1 4.04Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 2.89Å; L135-I138 PolarHBondContact O-N 2.98Å; I138-V140 PolarHBondContact O-N 2.98Å; I138-F142 WeakPolarHBondContact O-CB 3.4Å; I138-F142 PolarHBondContact O-N 3.46Å; I138-F142 VanDerWaalsContact O-N 3.1Å; I138-L143 HydrophobicContact CG2-CD1 4.18Å; I138-L143 PolarHBondContact O-N 3.39Å
139I81.5Confident71.9Confident24 Ų2469.2 Ų69.212%0.12335%0.349CS..Iπ-helixtrans-68.6-34.4-177.2-66.9171.7000112.5V3 K8 V11 L135 L143V3-I139 HydrophobicContact CG1-CG2 4.46Å; K8-I139 VanDerWaalsContact CE-O 3.28Å; K8-I139 WeakPolarHBondContact CE-O 3.39Å; K8-I139 HydrophobicContact CG-CG2 4.24Å; V11-I139 HydrophobicContact CG1-CB 4.48Å; V11-I139 HydrophobicContact CG1-CD1 4.25Å; V11-I139 HydrophobicContact CG1-CG2 4.44Å; V11-I139 HydrophobicContact CG2-CD1 4Å; V11-I139 HydrophobicContact CG2-CG2 4.32Å; L135-I139 HydrophobicContact CD2-CD1 4Å; L135-I139 HydrophobicContact CG-CD1 3.9Å; L135-I139 WeakPolarHBondContact O-CB 3.4Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3Å; I139-L143 HydrophobicContact CG1-CD1 4.3Å
140V76.7Confident69.6Low5 Ų576.9 Ų76.93%0.0339%0.389CS..Iπ-helixtrans-89.7-42.6-174.3179.90000112.2V12 L54 T136 I137 I138V12-V140 HydrophobicContact CG2-CG2 3.67Å; L54-V140 HydrophobicContact CD1-CG1 3.65Å; L54-V140 HydrophobicContact CD2-CG1 3.73Å; L54-V140 HydrophobicContact CG-CG1 4.32Å; T136-V140 WeakPolarHBondContact O-CB 3.17Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 3.2Å; I137-V140 PolarHBondContact O-N 2.67Å; I138-V140 PolarHBondContact O-N 2.98Å
141M76.8Confident66.9Low85 Ų8581.8 Ų81.842%0.41941%0.414SS..Iπ-helixtrans-96.9-40-176-63.2-156.8175.600115.1G59 I63 I137G59-M141 WeakPolarHBondContact O-CE 3.16Å; I63-M141 HydrophobicContact CD1-CE 3.84Å; I63-M141 HydrophobicContact CG1-CE 3.7Å; I137-M141 WeakPolarHBondContact O-CB 3.39Å; I137-M141 PolarHBondContact O-N 3.41Å
142F73.7Confident64.3Low168 Ų16885.1 Ų85.174%0.73743%0.431SS*.Iπ-helixtrans-88.7-21.3-172.8-83.9-87.1000114.8I137 I138I137-F142 HydrophobicContact CG2-CD2 4.4Å; I137-F142 HydrophobicContact CG2-CE2 4.4Å; I138-F142 WeakPolarHBondContact O-CB 3.4Å; I138-F142 PolarHBondContact O-N 3.46Å; I138-F142 VanDerWaalsContact O-N 3.1Å
143L68.5Low61.5Low37 Ų3791.5 Ų91.519%0.19447%0.469CS..SBendtrans-99.1114.5-174-79.9152.7000112.3M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.65Å; M1-L143 VanDerWaalsContact O-CD2 3.28Å; M1-L143 WeakPolarHBondContact O-CD2 3.49Å; V3-L143 HydrophobicContact CG2-CB 3.94Å; V3-L143 HydrophobicContact CG2-CD1 4.09Å; V3-L143 HydrophobicContact CG2-CD2 4.05Å; V3-L143 HydrophobicContact CG2-CG 4.24Å; K8-L143 WeakPolarHBondContact CE-O 3.29Å; K8-L143 PolarHBondContact NZ-O 3.38Å; I138-L143 HydrophobicContact CG2-CD1 4.18Å; I138-L143 PolarHBondContact O-N 3.39Å; I139-L143 HydrophobicContact CG1-CD1 4.3Å
144S58.3Low58.7Low86 Ų8694.8 Ų94.860%0.60150%0.503SS*.  trans-67.3157.3-173.8-164.20000114.5
145H56.4Low55.9Low49 Ų4998.6 Ų98.623%0.22752%0.524CS..  trans-70.7153.2170.2-95.9-97.7000111.3
146R45.5Very low53.1Low160 Ų160101.4 Ų101.460%0.60454%0.544SS*.  trans-91.2105.4163.4175.4176.6172.9138.7-1.8107.1T2 E148T2-R146 HydrophobicContact CG2-CB 4.11Å; R146-E148 IonicContact CZ-OE1 2.6Å; R146-E148 IonicContact CZ-OE2 3.76Å; R146-E148 IonicContact NE-OE1 2.59Å; R146-E148 IonicContact NE-OE2 3.24Å; R146-E148 PolarHBondContact NE-OE2 3.2Å; R146-E148 VanDerWaalsContact NH2-CD 3.29Å; R146-E148 IonicContact NH2-OE1 2.73Å; R146-E148 PolarHBondContact NH2-OE1 3.11Å; R146-E148 IonicContact NH2-OE2 3.44Å; R146-E148 PolarHBondContact NH2-OE2 3.35Å
147D40.5Very low50.6Low144 Ų144107.4 Ų107.477%0.7758%0.58SS**  trans-81.5132.1164-63.8-36.8000108.2
148E42.1Very low47.9Very low139 Ų139112.8 Ų112.865%0.6562%0.615SS**  trans-138.2100.2179.9-163155.9-152.100106.8R146R146-E148 IonicContact CZ-OE1 2.6Å; R146-E148 IonicContact CZ-OE2 3.76Å; R146-E148 IonicContact NE-OE1 2.59Å; R146-E148 IonicContact NE-OE2 3.24Å; R146-E148 PolarHBondContact NE-OE2 3.2Å; R146-E148 VanDerWaalsContact NH2-CD 3.29Å; R146-E148 IonicContact NH2-OE1 2.73Å; R146-E148 PolarHBondContact NH2-OE1 3.11Å; R146-E148 IonicContact NH2-OE2 3.44Å; R146-E148 PolarHBondContact NH2-OE2 3.35Å
149Q30.9Very low45.6Very low179 Ų179115.7 Ų115.784%0.83664%0.635SS**  trans-66.9135178.8-63.8161.3-82.200109.8
150L36.2Very low43.1Very low162 Ų162125.9 Ų125.985%0.84867%0.672SS**  trans-171.495.3146.1-126.377.3000111.5
151D30.1Very low40.8Very low144 Ų144130.6 Ų130.677%0.7771%0.706SS**  trans44.982.8134.8-50.1-21.1000121.5
152V32.1Very low38.5Very low132 Ų132133.9 Ų133.980%0.872%0.72SS**  19.9118.2109.5-175.10000119.5
153V28.4Very low36.6Very low144 Ų144131.7 Ų131.787%0.87373%0.725SS**  trans75.7129147.7172.30000121.6
154G27.6Very low34.8Very low70 Ų70132.3 Ų132.372%0.72274%0.741SS**  trans123.5125.2139.900000117.2
155D28.7Very low33.5Very low165 Ų165137.2 Ų137.288%0.88275%0.746SS**  trans-72.6136.5173.9-59.5-69.6000113.1
156V26.5Very low32.5Very low139 Ų139142.8 Ų142.884%0.84277%0.772SS**  trans-163.3139.6138.8164.10000109.2
157V33.1Very low32.1Very low126 Ų126143 Ų14376%0.76478%0.78SS**  trans-82.3134.5176.61760000111.9V159V157-V159 HydrophobicContact CG1-CG2 4.44Å
158T27.2Very low31.9Very low138 Ų138145.2 Ų145.285%0.84778%0.778SS**  trans-134.6150.4158.8510000111.7
159V36Very low31.6Very low133 Ų133147.6 Ų147.681%0.80678%0.781SS**  trans-111.7150.1-167.1179.50000111.1V157V157-V159 HydrophobicContact CG1-CG2 4.44Å
160R29.8Very low31.9Very low238 Ų238146 Ų14690%0.89877%0.773SS**  trans95.5105.7157.8-153.1175.1-162137.94.1119
161S27.7Very low31.9Very low105 Ų105148.2 Ų148.273%0.73477%0.77SS**  -176.5136.4122.2-171.90000109.9
162E30.3Very low32.2Very low154 Ų154147.8 Ų147.872%0.7276%0.761SS**  trans-97.8-4.9-159.8-69.4-165.1103.100117G164 R165E162-G164 VanDerWaalsContact C-N 3.31Å; E162-G164 PolarHBondContact O-N 3.42Å; E162-G164 VanDerWaalsContact O-N 3.13Å; E162-R165 IonicContact OE1-NH1 2.69Å
163S32.1Very low32.3Very low121 Ų121146.2 Ų146.285%0.84675%0.748SS**THydrogen-bonded Turntrans-73.1-5.5-165.855.60000117.1
164G31.7Very low32.7Very low50 Ų50142.1 Ų142.152%0.51573%0.73SS.*THydrogen-bonded Turntrans-1038.6-171.100000117.4E162 E166E162-G164 VanDerWaalsContact C-N 3.31Å; E162-G164 PolarHBondContact O-N 3.42Å; E162-G164 VanDerWaalsContact O-N 3.13Å; G164-E166 PolarHBondContact O-N 3.09Å
165R30.7Very low33.3Very low190 Ų190141.8 Ų141.872%0.71772%0.72SS**THydrogen-bonded Turntrans-77-24.7-157.3-137.1169-173.1158.9-1116E162E162-R165 IonicContact OE1-NH1 2.69Å
166E35.2Very low33.8Very low165 Ų165138.6 Ų138.677%0.77170%0.702SS**THydrogen-bonded Turntrans-88.7-49.3-175.9-71.9-175130.700114.4G164 R168 R169 Q170G164-E166 PolarHBondContact O-N 3.09Å; E166-R168 PolarHBondContact O-N 3.13Å; E166-R169 WeakPolarHBondContact O-CA 3.38Å; E166-R169 WeakPolarHBondContact O-CB 3.43Å; E166-R169 PolarHBondContact O-N 2.95Å; E166-Q170 PolarHBondContact O-N 3.12Å
167Q37.4Very low34.3Very low164 Ų164137.3 Ų137.377%0.76669%0.688SS**Hα-helixtrans-59.2-33.2176.3-88.1-178.8-19.100112.5R169 R171Q167-R169 VanDerWaalsContact C-N 3.33Å; Q167-R171 PolarHBondContact O-N 3.33Å
168R35.9Very low34.7Very low191 Ų191141 Ų14172%0.72169%0.688SS**Hα-helixtrans-74.2-23175.3-139.9171.5-171178.72.7112.4E166 K172E166-R168 PolarHBondContact O-N 3.13Å; R168-K172 VanDerWaalsContact O-CB 3.29Å; R168-K172 WeakPolarHBondContact O-CB 3.37Å; R168-K172 WeakPolarHBondContact O-CG 3.31Å; R168-K172 PolarHBondContact O-N 2.95Å; R168-K172 VanDerWaalsContact O-N 3.11Å
169R35.6Very low35.5Very low189 Ų189137.5 Ų137.571%0.71367%0.669SS**Hα-helixtrans-76.1-41.6176.8-136.8174.4-173.9179.90.5111.8E166 Q167 K172 L173E166-R169 WeakPolarHBondContact O-CA 3.38Å; E166-R169 WeakPolarHBondContact O-CB 3.43Å; E166-R169 PolarHBondContact O-N 2.95Å; Q167-R169 VanDerWaalsContact C-N 3.33Å; R169-K172 PolarHBondContact O-N 3.25Å; R169-L173 WeakPolarHBondContact O-CB 3.36Å; R169-L173 PolarHBondContact O-N 3.06Å
170Q37.4Very low35.7Very low145 Ų145133.7 Ų133.768%0.67865%0.652SS**Hα-helixtrans-66.9-44.9175.3-77.8177.7-26.100112.9E166 K172 L173 A174E166-Q170 PolarHBondContact O-N 3.12Å; Q170-K172 PolarHBondContact O-N 2.95Å; Q170-L173 PolarHBondContact O-N 2.86Å; Q170-A174 PolarHBondContact O-N 3.35Å
171R36.7Very low36.2Very low209 Ų209125.9 Ų125.979%0.78963%0.627SS**Hα-helixtrans-65.6-36.5175.2-74.3-177176.9167.50.4112.6Q167 A175Q167-R171 PolarHBondContact O-N 3.33Å; R171-A175 WeakPolarHBondContact O-CB 3.36Å; R171-A175 PolarHBondContact O-N 3.02Å
172K35.8Very low37Very low135 Ų135122.2 Ų122.259%0.58761%0.606SS**Hα-helixtrans-66-41.6169.7-83.3-172.7170.8-170.60112R168 R169 Q170 A174 A175 I176R168-K172 VanDerWaalsContact O-CB 3.29Å; R168-K172 WeakPolarHBondContact O-CB 3.37Å; R168-K172 WeakPolarHBondContact O-CG 3.31Å; R168-K172 PolarHBondContact O-N 2.95Å; R168-K172 VanDerWaalsContact O-N 3.11Å; R169-K172 PolarHBondContact O-N 3.25Å; Q170-K172 PolarHBondContact O-N 2.95Å; K172-A174 PolarHBondContact O-N 2.93Å; K172-A175 PolarHBondContact O-N 3.16Å; K172-I176 HydrophobicContact CB-CD1 4.18Å; K172-I176 VanDerWaalsContact O-CB 3.24Å; K172-I176 WeakPolarHBondContact O-CB 3.47Å; K172-I176 WeakPolarHBondContact O-CD1 2.96Å; K172-I176 WeakPolarHBondContact O-CG1 3.28Å; K172-I176 PolarHBondContact O-N 3.43Å
173L35.7Very low37.8Very low99 Ų99118 Ų11852%0.51859%0.589SS.*Hα-helixtrans-60.7-43.8176.9-93.1160.7000112.3R169 Q170 I176 M177R169-L173 WeakPolarHBondContact O-CB 3.36Å; R169-L173 PolarHBondContact O-N 3.06Å; Q170-L173 PolarHBondContact O-N 2.86Å; L173-I176 PolarHBondContact O-N 3.36Å; L173-M177 WeakPolarHBondContact O-CB 3.39Å; L173-M177 PolarHBondContact O-N 3.19Å
174A36.2Very low38.3Very low59 Ų59114.9 Ų114.949%0.48857%0.567SS.*Hα-helixtrans-63.1-42.5175.500000112.3Q170 K172 M177 W178Q170-A174 PolarHBondContact O-N 3.35Å; K172-A174 PolarHBondContact O-N 2.93Å; A174-M177 PolarHBondContact O-N 2.8Å; A174-W178 PolarHBondContact O-N 3.5Å
175A39.1Very low39.1Very low62 Ų62117.3 Ų117.351%0.51257%0.567SS.*Hα-helixtrans-69.8-38.1177.600000113.2R171 K172 S179R171-A175 WeakPolarHBondContact O-CB 3.36Å; R171-A175 PolarHBondContact O-N 3.02Å; K172-A175 PolarHBondContact O-N 3.16Å; A175-S179 WeakPolarHBondContact O-CB 3.33Å; A175-S179 PolarHBondContact O-N 2.97Å; A175-S179 PolarHBondContact O-OG 3.31Å
176I40.6Very low40.2Very low99 Ų99113.5 Ų113.551%0.50855%0.553SS.*Hα-helixtrans-69.7-36.8174.5-69.5164.2000110.3K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.18Å; K172-I176 VanDerWaalsContact O-CB 3.24Å; K172-I176 WeakPolarHBondContact O-CB 3.47Å; K172-I176 WeakPolarHBondContact O-CD1 2.96Å; K172-I176 WeakPolarHBondContact O-CG1 3.28Å; K172-I176 PolarHBondContact O-N 3.43Å; L173-I176 PolarHBondContact O-N 3.36Å; I176-S179 WeakPolarHBondContact CA-OG 3.34Å; I176-S179 PolarHBondContact O-OG 2.92Å; I176-A180 WeakPolarHBondContact O-CA 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.35Å; I176-A180 PolarHBondContact O-N 3.1Å
177M37.2Very low41.2Very low112 Ų112116 Ų11655%0.55256%0.555SS**Hα-helixtrans-68.9-43.1175.6-168.8-175.6-62.700110.8L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CB 3.39Å; L173-M177 PolarHBondContact O-N 3.19Å; A174-M177 PolarHBondContact O-N 2.8Å; M177-A180 PolarHBondContact O-N 3.3Å; M177-I181 HydrophobicContact CG-CD1 3.83Å; M177-I181 HydrophobicContact CG-CG1 4.49Å; M177-I181 WeakPolarHBondContact O-CB 3.31Å; M177-I181 WeakPolarHBondContact O-CD1 3.38Å; M177-I181 WeakPolarHBondContact O-CG1 3.41Å; M177-I181 PolarHBondContact O-N 2.67Å
178W40.7Very low42Very low204 Ų204112.4 Ų112.477%0.77354%0.541SS*.Hα-helixtrans-67.6-34.9174-110.499.1000113.4A174 G182A174-W178 PolarHBondContact O-N 3.5Å; W178-G182 PolarHBondContact O-N 3.41Å
179S44.9Very low43.4Very low63 Ų63104.8 Ų104.844%0.44152%0.516SS..Hα-helixtrans-75.1-35.3174.873.90000112.4A175 I176 G182 N183A175-S179 WeakPolarHBondContact O-CB 3.33Å; A175-S179 PolarHBondContact O-N 2.97Å; A175-S179 PolarHBondContact O-OG 3.31Å; I176-S179 WeakPolarHBondContact CA-OG 3.34Å; I176-S179 PolarHBondContact O-OG 2.92Å; S179-G182 PolarHBondContact O-N 3.21Å; S179-N183 VanDerWaalsContact O-CB 3.25Å; S179-N183 WeakPolarHBondContact O-CB 3.45Å; S179-N183 PolarHBondContact O-N 2.76Å
180A38.9Very low44.9Very low54 Ų5498.4 Ų98.445%0.44650%0.496SS..Hα-helixtrans-70.1-38.2172.900000112.1I176 M177 S184I176-A180 WeakPolarHBondContact O-CA 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.35Å; I176-A180 PolarHBondContact O-N 3.1Å; M177-A180 PolarHBondContact O-N 3.3Å; A180-S184 WeakPolarHBondContact O-CA 3.35Å; A180-S184 WeakPolarHBondContact O-CB 3.46Å; A180-S184 PolarHBondContact O-N 3.05Å; A180-S184 PolarHBondContact O-OG 3.21Å
181I40.3Very low46.4Very low73 Ų7397.1 Ų97.137%0.37449%0.488SS..Hα-helixtrans-66.1-44170.4-72.4167.6000109.9M177 N183 S184 L185M177-I181 HydrophobicContact CG-CD1 3.83Å; M177-I181 HydrophobicContact CG-CG1 4.49Å; M177-I181 WeakPolarHBondContact O-CB 3.31Å; M177-I181 WeakPolarHBondContact O-CD1 3.38Å; M177-I181 WeakPolarHBondContact O-CG1 3.41Å; M177-I181 PolarHBondContact O-N 2.67Å; I181-N183 PolarHBondContact O-N 3.32Å; I181-S184 PolarHBondContact O-N 3.39Å; I181-S184 PolarHBondContact O-OG 3.45Å; I181-S184 VanDerWaalsContact O-OG 3.11Å; I181-L185 HydrophobicContact CG2-CD1 3.6Å; I181-L185 WeakPolarHBondContact O-CB 3.39Å; I181-L185 VanDerWaalsContact O-CD1 3.26Å; I181-L185 WeakPolarHBondContact O-CD1 3.49Å; I181-L185 PolarHBondContact O-N 2.7Å
182G44.6Very low48Very low29 Ų2990.1 Ų90.130%0.29947%0.468SS..Hα-helixtrans-62.5-39.8175.700000113.5W178 S179 R186W178-G182 PolarHBondContact O-N 3.41Å; S179-G182 PolarHBondContact O-N 3.21Å; G182-R186 WeakPolarHBondContact O-CB 3.35Å; G182-R186 WeakPolarHBondContact O-CG 3.4Å; G182-R186 PolarHBondContact O-N 3.39Å
183N47.4Very low49.9Very low65 Ų6584 Ų8435%0.34844%0.442SS..Hα-helixtrans-78.1-32176.9-76-19.9000112.8S179 I181 R186 R187S179-N183 VanDerWaalsContact O-CB 3.25Å; S179-N183 WeakPolarHBondContact O-CB 3.45Å; S179-N183 PolarHBondContact O-N 2.76Å; I181-N183 PolarHBondContact O-N 3.32Å; N183-R186 PolarHBondContact O-N 2.94Å; N183-R187 PolarHBondContact O-N 3.35Å
184S42.8Very low51.9Low56 Ų5681.1 Ų81.139%0.39243%0.425SS..Hα-helixtrans-69.9-44.4171.7780000110.4A180 I181 R186 R187 L188A180-S184 WeakPolarHBondContact O-CA 3.35Å; A180-S184 WeakPolarHBondContact O-CB 3.46Å; A180-S184 PolarHBondContact O-N 3.05Å; A180-S184 PolarHBondContact O-OG 3.21Å; I181-S184 PolarHBondContact O-N 3.39Å; I181-S184 PolarHBondContact O-OG 3.45Å; I181-S184 VanDerWaalsContact O-OG 3.11Å; S184-R186 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 3.28Å; S184-R187 CarbonylContact O-C 3.39Å; S184-R187 PolarHBondContact O-N 3.17Å; S184-R187 VanDerWaalsContact O-N 3.09Å; S184-L188 WeakPolarHBondContact O-CB 3.47Å; S184-L188 PolarHBondContact O-N 2.97Å
185L47.9Very low53.9Low100 Ų10082.4 Ų82.452%0.52442%0.424SS..Hα-helixtrans-55.6-46.1169.4-100.694000110.7I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.6Å; I181-L185 WeakPolarHBondContact O-CB 3.39Å; I181-L185 VanDerWaalsContact O-CD1 3.26Å; I181-L185 WeakPolarHBondContact O-CD1 3.49Å; I181-L185 PolarHBondContact O-N 2.7Å; L185-R187 VanDerWaalsContact C-N 3.32Å; L185-R187 PolarHBondContact O-N 3Å; L185-L188 CarbonylContact O-C 3.53Å; L185-L188 PolarHBondContact O-N 3.36Å; L185-T189 WeakPolarHBondContact O-CG2 3.46Å; L185-T189 PolarHBondContact O-N 3.12Å
186R55Low56Low111 Ų11181.8 Ų81.842%0.41941%0.41SS..Hα-helixtrans-57.2-41.4175.2-84.6176.6166.6177.6-4.3112.7G182 N183 S184 T189G182-R186 WeakPolarHBondContact O-CB 3.35Å; G182-R186 WeakPolarHBondContact O-CG 3.4Å; G182-R186 PolarHBondContact O-N 3.39Å; N183-R186 PolarHBondContact O-N 2.94Å; S184-R186 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 3.28Å; R186-T189 PolarHBondContact O-OG1 3.47Å
187R55.8Low58.2Low216 Ų21677.3 Ų77.382%0.81539%0.387SS*.Hα-helixtrans-70.2-40.5174.1-75.5-177.3173.3176.4-1.4112.7N183 S184 L185 T189N183-R187 PolarHBondContact O-N 3.35Å; S184-R187 CarbonylContact O-C 3.39Å; S184-R187 PolarHBondContact O-N 3.17Å; S184-R187 VanDerWaalsContact O-N 3.09Å; L185-R187 VanDerWaalsContact C-N 3.32Å; L185-R187 PolarHBondContact O-N 3Å; R187-T189 VanDerWaalsContact C-N 3.33Å; R187-T189 PolarHBondContact O-N 3.14Å
188L54.3Low60.4Low89 Ų8972.3 Ų72.347%0.46636%0.364SS..Hα-helixtrans-65.4-31.3175.8-111.8149.9000112.4S184 L185 N190 F191 V192S184-L188 WeakPolarHBondContact O-CB 3.47Å; S184-L188 PolarHBondContact O-N 2.97Å; L185-L188 CarbonylContact O-C 3.53Å; L185-L188 PolarHBondContact O-N 3.36Å; L188-N190 PolarHBondContact O-N 2.99Å; L188-N190 VanDerWaalsContact O-N 3.13Å; L188-F191 HydrophobicContact CD2-CD1 4.26Å; L188-F191 CarbonylContact O-C 3.32Å; L188-F191 WeakPolarHBondContact O-CA 3.49Å; L188-F191 WeakPolarHBondContact O-CB 3.36Å; L188-F191 PolarHBondContact O-N 3.27Å; L188-V192 HydrophobicContact CD2-CG2 4.09Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.98Å
189T64.4Low62.6Low31 Ų3167 Ų6719%0.1934%0.344CS..Hα-helixtrans-60-28.6-17657.90000113.3L185 R186 R187 L193 Q326L185-T189 WeakPolarHBondContact O-CG2 3.46Å; L185-T189 PolarHBondContact O-N 3.12Å; R186-T189 PolarHBondContact O-OG1 3.47Å; R187-T189 VanDerWaalsContact C-N 3.33Å; R187-T189 PolarHBondContact O-N 3.14Å; T189-L193 VanDerWaalsContact O-CB 3.22Å; T189-L193 WeakPolarHBondContact O-CB 3.22Å; T189-L193 PolarHBondContact O-N 3.22Å; T189-Q326 PolarHBondContact OG1-NE2 3.41Å
190N67.3Low64.7Low55 Ų5564 Ų6429%0.29432%0.323SS..Hα-helixtrans-65.7-39.7172-74.2-33.2000111.8L188 F194 Q326L188-N190 PolarHBondContact O-N 2.99Å; L188-N190 VanDerWaalsContact O-N 3.13Å; N190-F194 WeakPolarHBondContact O-CB 3.27Å; N190-F194 PolarHBondContact O-N 2.92Å; N190-Q326 PolarHBondContact OD1-NE2 3Å; N190-Q326 PolarHBondContact OD1-OE1 3.07Å
191F69.2Low66.9Low119 Ų11961.5 Ų61.552%0.52230%0.302SS..Hα-helixtrans-75-39.3178.6-178-102.2000111.8L188 F194 L195L188-F191 HydrophobicContact CD2-CD1 4.26Å; L188-F191 CarbonylContact O-C 3.32Å; L188-F191 WeakPolarHBondContact O-CA 3.49Å; L188-F191 WeakPolarHBondContact O-CB 3.36Å; L188-F191 PolarHBondContact O-N 3.27Å; F191-F194 WeakPolarHBondContact O-CB 3.29Å; F191-F194 PolarHBondContact O-N 3.41Å; F191-L195 HydrophobicContact CD1-CD1 3.96Å; F191-L195 HydrophobicContact CE1-CD1 3.44Å; F191-L195 VanDerWaalsContact CE1-CD1 3.44Å; F191-L195 HydrophobicContact CE1-CG 4.36Å; F191-L195 HydrophobicContact CZ-CD1 3.88Å; F191-L195 HydrophobicContact CZ-CG 4.45Å; F191-L195 PolarHBondContact O-N 3.4Å
192V69.6Low69.1Low61 Ų6158.4 Ų58.437%0.3729%0.286SS..Hα-helixtrans-61.3-45.2171.5175.20000110.4L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 4.09Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.98Å; V192-F194 VanDerWaalsContact C-N 3.29Å; V192-F194 PolarHBondContact O-N 3.27Å; V192-L195 PolarHBondContact O-N 3.31Å; V192-F196 WeakPolarHBondContact O-CB 2.86Å; V192-F196 PolarHBondContact O-N 3.28Å
193L76.4Confident71Confident8 Ų857.1 Ų57.14%0.04227%0.273CS..Hα-helixtrans-61.4-38.1177.9-155.284.8000112.1T189 F196 T197 K238 L322 T323 Q326T189-L193 VanDerWaalsContact O-CB 3.22Å; T189-L193 WeakPolarHBondContact O-CB 3.22Å; T189-L193 PolarHBondContact O-N 3.22Å; L193-F196 PolarHBondContact O-N 3.36Å; L193-T197 PolarHBondContact O-N 3.47Å; L193-T197 PolarHBondContact O-OG1 3.16Å; L193-K238 HydrophobicContact CD2-CG 4.44Å; L193-L322 HydrophobicContact CD1-CB 4.24Å; L193-T323 HydrophobicContact CD1-CG2 3.85Å; L193-T323 HydrophobicContact CD2-CG2 4.31Å; L193-T323 HydrophobicContact CG-CG2 4.34Å; L193-Q326 HydrophobicContact CD1-CB 4.37Å
194F78.7Confident72.7Confident37 Ų3755.4 Ų55.416%0.16226%0.262CS..Hα-helixtrans-64.3-47.8175.5168.5-101.2000112.3N190 F191 V192 F196 T197 A198 F216 I219 S220N190-F194 WeakPolarHBondContact O-CB 3.27Å; N190-F194 PolarHBondContact O-N 2.92Å; F191-F194 WeakPolarHBondContact O-CB 3.29Å; F191-F194 PolarHBondContact O-N 3.41Å; V192-F194 VanDerWaalsContact C-N 3.29Å; V192-F194 PolarHBondContact O-N 3.27Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 3.39Å; F194-T197 WeakPolarHBondContact CA-OG1 3.42Å; F194-T197 PolarHBondContact O-N 3.2Å; F194-T197 PolarHBondContact O-OG1 3.4Å; F194-A198 PolarHBondContact O-N 2.78Å; F194-F216 HydrophobicContact CD2-CD2 4.38Å; F194-F216 HydrophobicContact CE1-CE2 4.12Å; F194-F216 AromaticContact CE2-CD2 3.81Å; F194-F216 HydrophobicContact CE2-CD2 3.81Å; F194-F216 AromaticContact CE2-CE2 3.9Å; F194-F216 HydrophobicContact CE2-CE2 3.9Å; F194-F216 AromaticContact CZ-CD2 3.97Å; F194-F216 HydrophobicContact CZ-CD2 3.97Å; F194-F216 AromaticContact CZ-CE2 3.56Å; F194-F216 HydrophobicContact CZ-CE2 3.56Å; F194-I219 HydrophobicContact CD2-CB 4.43Å; F194-I219 HydrophobicContact CD2-CG2 3.71Å; F194-I219 HydrophobicContact CE2-CB 4.36Å; F194-I219 HydrophobicContact CE2-CG2 3.85Å; F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.25Å; F194-S220 VanDerWaalsContact CZ-OG 3.25Å; F194-S220 WeakPolarHBondContact CZ-OG 3.49Å
195L76.6Confident74.6Confident86 Ų8653.6 Ų53.645%0.4525%0.249SC..Hα-helixtrans-63-38.7172.9-78.9168.5000112.2F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 3.96Å; F191-L195 HydrophobicContact CE1-CD1 3.44Å; F191-L195 VanDerWaalsContact CE1-CD1 3.44Å; F191-L195 HydrophobicContact CE1-CG 4.36Å; F191-L195 HydrophobicContact CZ-CD1 3.88Å; F191-L195 HydrophobicContact CZ-CG 4.45Å; F191-L195 PolarHBondContact O-N 3.4Å; V192-L195 PolarHBondContact O-N 3.31Å; L195-T197 VanDerWaalsContact C-N 3.29Å; L195-T197 PolarHBondContact O-N 3.01Å; L195-A198 WeakPolarHBondContact O-CB 3.45Å; L195-A198 PolarHBondContact O-N 3.29Å; L195-Y199 PolarHBondContact O-N 3.49Å
196F84.2Confident76.4Confident49 Ų4948.9 Ų48.922%0.21522%0.224CC..Hα-helixtrans-67.6-29.1177.6-134.1-97000112.2V192 L193 F194 Y199 V200 V315 V318 F319 L322V192-F196 WeakPolarHBondContact O-CB 2.86Å; V192-F196 PolarHBondContact O-N 3.28Å; L193-F196 PolarHBondContact O-N 3.36Å; F194-F196 VanDerWaalsContact C-N 3.33Å; F194-F196 PolarHBondContact O-N 3.39Å; F196-Y199 PolarHBondContact O-N 3.04Å; F196-V200 HydrophobicContact CD1-CG2 3.96Å; F196-V200 HydrophobicContact CE1-CG2 4.4Å; F196-V200 WeakPolarHBondContact O-CG2 3.35Å; F196-V200 PolarHBondContact O-N 3.16Å; F196-V315 HydrophobicContact CE1-CG1 4.34Å; F196-V318 HydrophobicContact CE1-CB 4.34Å; F196-V318 HydrophobicContact CE1-CG1 3.86Å; F196-V318 HydrophobicContact CZ-CB 4.42Å; F196-V318 HydrophobicContact CZ-CG1 3.67Å; F196-F319 HydrophobicContact CD1-CB 4.17Å; F196-F319 HydrophobicContact CD1-CD2 4.08Å; F196-F319 HydrophobicContact CE1-CB 4.33Å; F196-L322 HydrophobicContact CD1-CD1 4.26Å; F196-L322 HydrophobicContact CD2-CD1 4.35Å; F196-L322 HydrophobicContact CE1-CD1 4.27Å; F196-L322 HydrophobicContact CE2-CD1 4.37Å; F196-L322 HydrophobicContact CG-CD1 4.28Å; F196-L322 HydrophobicContact CZ-CD1 4.33Å
197T87.2Confident77.8Confident5 Ų547 Ų473%0.03122%0.222CC..Hα-helixtrans-67-39.3173.80.80000111.5L193 F194 L195 G201 L241 F319L193-T197 PolarHBondContact O-N 3.47Å; L193-T197 PolarHBondContact O-OG1 3.16Å; F194-T197 WeakPolarHBondContact CA-OG1 3.42Å; F194-T197 PolarHBondContact O-N 3.2Å; F194-T197 PolarHBondContact O-OG1 3.4Å; L195-T197 VanDerWaalsContact C-N 3.29Å; L195-T197 PolarHBondContact O-N 3.01Å; T197-G201 PolarHBondContact O-N 3.36Å; T197-L241 HydrophobicContact CG2-CD1 4.37Å; T197-F319 HydrophobicContact CG2-CE2 3.86Å; T197-F319 HydrophobicContact CG2-CZ 3.8Å
198A83.7Confident79.3Confident8 Ų837 Ų377%0.06619%0.185CC..Hα-helixtrans-61.8-49.6171.700000110.8F194 L195 V200 G201 I202 F216F194-A198 PolarHBondContact O-N 2.78Å; L195-A198 WeakPolarHBondContact O-CB 3.45Å; L195-A198 PolarHBondContact O-N 3.29Å; A198-V200 PolarHBondContact O-N 3.15Å; A198-G201 PolarHBondContact O-N 3.39Å; A198-G201 VanDerWaalsContact O-N 3.08Å; A198-I202 HydrophobicContact CB-CD1 4.37Å; A198-I202 WeakPolarHBondContact O-CD1 3.4Å; A198-I202 VanDerWaalsContact O-CG1 3.25Å; A198-I202 WeakPolarHBondContact O-CG1 3.44Å; A198-I202 PolarHBondContact O-N 3.43Å; A198-F216 HydrophobicContact CB-CB 4.43Å; A198-F216 HydrophobicContact CB-CD1 4.12Å; A198-F216 HydrophobicContact CB-CD2 3.61Å; A198-F216 HydrophobicContact CB-CE1 4.3Å; A198-F216 HydrophobicContact CB-CE2 3.8Å; A198-F216 HydrophobicContact CB-CG 3.77Å; A198-F216 HydrophobicContact CB-CZ 4.15Å
199Y86.6Confident80.9Confident93 Ų9332.8 Ų32.837%0.36516%0.163SC..Hα-helixtrans-57.8-47.7-178.6-173.6-114.2000113L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 3.49Å; F196-Y199 PolarHBondContact O-N 3.04Å; Y199-G201 PolarHBondContact O-N 3.47Å; Y199-I202 PolarHBondContact O-N 3.01Å; Y199-I202 VanDerWaalsContact O-N 3.11Å; Y199-V203 HydrophobicContact CD1-CG2 4.13Å; Y199-V203 HydrophobicContact CD2-CG2 4.12Å; Y199-V203 HydrophobicContact CE1-CG2 3.78Å; Y199-V203 HydrophobicContact CE2-CG2 3.76Å; Y199-V203 HydrophobicContact CG-CG2 4.29Å; Y199-V203 WeakPolarHBondContact O-CG2 3.41Å; Y199-V203 PolarHBondContact O-N 3.09Å; Y199-V315 HydrophobicContact CD1-CG1 3.85Å; Y199-V315 HydrophobicContact CD1-CG2 4.38Å; Y199-V315 HydrophobicContact CE1-CG1 3.96Å; Y199-V315 HydrophobicContact CE1-CG2 3.65Å
200V87.7Confident81.9Confident0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-59.8-36.3176.8-177.40000111.3F196 A198 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 3.96Å; F196-V200 HydrophobicContact CE1-CG2 4.4Å; F196-V200 WeakPolarHBondContact O-CG2 3.35Å; F196-V200 PolarHBondContact O-N 3.16Å; A198-V200 PolarHBondContact O-N 3.15Å; V200-Y212 HydrophobicContact CB-CD2 4.33Å; V200-Y212 HydrophobicContact CB-CG 4.28Å; V200-Y212 HydrophobicContact CG1-CD1 4.21Å; V200-Y212 HydrophobicContact CG1-CD2 3.4Å; V200-Y212 VanDerWaalsContact CG1-CD2 3.4Å; V200-Y212 HydrophobicContact CG1-CE1 4.38Å; V200-Y212 HydrophobicContact CG1-CE2 3.61Å; V200-Y212 HydrophobicContact CG1-CG 3.74Å; V200-V315 HydrophobicContact CB-CG1 4.19Å; V200-V315 HydrophobicContact CG1-CG1 4.46Å; V200-V315 HydrophobicContact CG2-CG1 3.6Å; V200-V316 HydrophobicContact CG1-CG2 4.25Å; V200-F319 HydrophobicContact CG2-CB 3.81Å; V200-F319 HydrophobicContact CG2-CD2 3.97Å; V200-F319 HydrophobicContact CG2-CG 3.87Å
201G85Confident83Confident0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-70.6-29.4176.300000114.5T197 A198 Y199T197-G201 PolarHBondContact O-N 3.36Å; A198-G201 PolarHBondContact O-N 3.39Å; A198-G201 VanDerWaalsContact O-N 3.08Å; Y199-G201 PolarHBondContact O-N 3.47Å
202I87.7Confident84Confident9 Ų926.7 Ų26.75%0.04614%0.136CC..Hα-helixtrans-90.6-32.5-174.1-61.4158.6000112.6A198 Y199 K204 F213 V518 L521 T525A198-I202 HydrophobicContact CB-CD1 4.37Å; A198-I202 WeakPolarHBondContact O-CD1 3.4Å; A198-I202 VanDerWaalsContact O-CG1 3.25Å; A198-I202 WeakPolarHBondContact O-CG1 3.44Å; A198-I202 PolarHBondContact O-N 3.43Å; Y199-I202 PolarHBondContact O-N 3.01Å; Y199-I202 VanDerWaalsContact O-N 3.11Å; I202-K204 VanDerWaalsContact C-N 3.26Å; I202-K204 PolarHBondContact O-N 3.47Å; I202-K204 VanDerWaalsContact O-N 3.12Å; I202-F213 HydrophobicContact CG1-CD2 4.48Å; I202-V518 HydrophobicContact CG2-CG1 4.38Å; I202-L521 HydrophobicContact CG1-CB 4.41Å; I202-L521 HydrophobicContact CG2-CB 3.68Å; I202-L521 HydrophobicContact CG2-CD1 4.32Å; I202-T525 HydrophobicContact CD1-CG2 4.32Å
203V84.1Confident84.8Confident2 Ų224 Ų241%0.01212%0.119CC..SBendtrans-53.4-36.8-171.5159.20000114.2Y199 P308 A311 N312 V315 V518Y199-V203 HydrophobicContact CD1-CG2 4.13Å; Y199-V203 HydrophobicContact CD2-CG2 4.12Å; Y199-V203 HydrophobicContact CE1-CG2 3.78Å; Y199-V203 HydrophobicContact CE2-CG2 3.76Å; Y199-V203 HydrophobicContact CG-CG2 4.29Å; Y199-V203 WeakPolarHBondContact O-CG2 3.41Å; Y199-V203 PolarHBondContact O-N 3.09Å; V203-P308 VanDerWaalsContact O-CB 3.22Å; V203-P308 WeakPolarHBondContact O-CB 3.36Å; V203-A311 HydrophobicContact CG1-CB 4.33Å; V203-N312 HydrophobicContact CG1-CB 4.13Å; V203-V315 HydrophobicContact CG2-CG2 4.47Å; V203-V518 WeakPolarHBondContact O-CG2 3.3Å
204K83.6Confident85.4Confident29 Ų2928.2 Ų28.213%0.12614%0.142CC..SBendtrans-146.8104.1171.8-179.2164-178.9171.60109.2I202 S206 N209 G276 T278 N312I202-K204 VanDerWaalsContact C-N 3.26Å; I202-K204 PolarHBondContact O-N 3.47Å; I202-K204 VanDerWaalsContact O-N 3.12Å; K204-S206 PolarHBondContact O-N 2.93Å; K204-S206 VanDerWaalsContact O-N 3.08Å; K204-N209 VanDerWaalsContact O-CB 3.31Å; K204-N209 WeakPolarHBondContact O-CB 3.13Å; K204-N209 PolarHBondContact O-ND2 3.36Å; K204-G276 WeakPolarHBondContact CE-O 3.31Å; K204-G276 PolarHBondContact NZ-O 3.41Å; K204-T278 PolarHBondContact NZ-OG1 2.89Å; K204-N312 HydrophobicContact CB-CB 4.39Å
205P82.3Confident85.8Confident17 Ų1727.4 Ų27.411%0.1114%0.142CC..  trans-62.9112.4178.324.7-33.8000110.3Y487 S490 M491 A517P205-Y487 HydrophobicContact CB-CE2 4.1Å; P205-S490 WeakPolarHBondContact CB-OG 3.49Å; P205-S490 WeakPolarHBondContact CG-O 3.04Å; P205-M491 HydrophobicContact CB-CG 4.49Å; P205-A517 HydrophobicContact CG-CB 4.24Å
206S84.3Confident86.3Confident1 Ų123.6 Ų23.61%0.00712%0.121CC..SBendtrans-150.2168.3-179.871.10000110.5K204 S208 N209 S210 Y487K204-S206 PolarHBondContact O-N 2.93Å; K204-S206 VanDerWaalsContact O-N 3.08Å; S206-S208 VanDerWaalsContact C-N 3.26Å; S206-S208 PolarHBondContact O-N 3.37Å; S206-S208 PolarHBondContact OG-N 3.29Å; S206-S208 PolarHBondContact OG-OG 3.47Å; S206-N209 PolarHBondContact O-N 3.39Å; S206-N209 PolarHBondContact OG-N 3.1Å; S206-S210 WeakPolarHBondContact O-CB 3.32Å; S206-S210 PolarHBondContact O-N 3.4Å; S206-Y487 PolarHBondContact N-OH 3.07Å; S206-Y487 VanDerWaalsContact N-OH 3.15Å; S206-Y487 PolarHBondContact O-OH 2.9Å
207L86.1Confident86.4Confident72 Ų7221.8 Ų21.838%0.37711%0.114SC..THydrogen-bonded Turntrans-63.2-34.6175-170.966.2000111.7S210 L274 F275 M491L207-S210 PolarHBondContact O-OG 2.9Å; L207-L274 HydrophobicContact CB-CG 4.26Å; L207-L274 VanDerWaalsContact CB-O 3.24Å; L207-L274 WeakPolarHBondContact CB-O 3.23Å; L207-L274 HydrophobicContact CD2-CD2 3.98Å; L207-L274 HydrophobicContact CD2-CG 4.01Å; L207-L274 PolarHBondContact N-O 2.93Å; L207-F275 HydrophobicContact CD2-CD1 4.37Å; L207-F275 HydrophobicContact CD2-CE1 3.93Å; L207-F275 HydrophobicContact CD2-CZ 4.17Å; L207-M491 HydrophobicContact CB-CE 4.41Å
208S85.7Confident86.3Confident6 Ų626.9 Ų26.94%0.04214%0.136CC..THydrogen-bonded Turntrans-68.3-46.217551.90000112.7S206 S210 Y244 H248 F275S206-S208 VanDerWaalsContact C-N 3.26Å; S206-S208 PolarHBondContact O-N 3.37Å; S206-S208 PolarHBondContact OG-N 3.29Å; S206-S208 PolarHBondContact OG-OG 3.47Å; S208-S210 VanDerWaalsContact C-N 3.28Å; S208-S210 PolarHBondContact O-N 2.65Å; S208-Y244 VanDerWaalsContact CA-OH 3.29Å; S208-Y244 WeakPolarHBondContact CA-OH 3.37Å; S208-Y244 WeakPolarHBondContact CB-OH 3.26Å; S208-Y244 PolarHBondContact O-OH 3.47Å; S208-Y244 VanDerWaalsContact O-OH 3.07Å; S208-H248 WeakPolarHBondContact CB-NE2 3.38Å; S208-H248 PolarHBondContact OG-NE2 3.03Å; S208-F275 PolarHBondContact OG-O 2.64Å
209N88Confident86.3Confident0 Ų027.4 Ų27.40%014%0.137CC..THydrogen-bonded Turntrans-73.6-19.4179.8-80.2-23.7000113.5K204 S206 I211 Y212 F213 H248 N312K204-N209 VanDerWaalsContact O-CB 3.31Å; K204-N209 WeakPolarHBondContact O-CB 3.13Å; K204-N209 PolarHBondContact O-ND2 3.36Å; S206-N209 PolarHBondContact O-N 3.39Å; S206-N209 PolarHBondContact OG-N 3.1Å; N209-I211 PolarHBondContact O-N 3.3Å; N209-I211 VanDerWaalsContact O-N 3.12Å; N209-Y212 HydrophobicContact CB-CD2 4.38Å; N209-Y212 PolarHBondContact O-N 2.99Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.32Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.27Å; N209-F213 PolarHBondContact O-N 2.96Å; N209-H248 PolarHBondContact OD1-CE1 2.92Å; N209-N312 PolarHBondContact ND2-OD1 3.11Å
210S87.1Confident86Confident20 Ų2023.1 Ų23.114%0.1412%0.121CC..Hα-helixtrans-55.9-31.1176.278.90000112.7S206 L207 S208 Y212 F213 L214 Y487S206-S210 WeakPolarHBondContact O-CB 3.32Å; S206-S210 PolarHBondContact O-N 3.4Å; L207-S210 PolarHBondContact O-OG 2.9Å; S208-S210 VanDerWaalsContact C-N 3.28Å; S208-S210 PolarHBondContact O-N 2.65Å; S210-Y212 VanDerWaalsContact C-N 3.32Å; S210-Y212 PolarHBondContact O-N 3.23Å; S210-F213 PolarHBondContact O-N 2.89Å; S210-L214 WeakPolarHBondContact O-CB 3.37Å; S210-L214 WeakPolarHBondContact O-CG 3.36Å; S210-L214 PolarHBondContact O-N 3.19Å; S210-Y487 WeakPolarHBondContact CA-OH 3.49Å; S210-Y487 PolarHBondContact N-OH 3.47Å
211I89.1Confident85.9Confident57 Ų5725 Ų2529%0.29213%0.132SC..Hα-helixtrans-66.3-33.9179.4-71.5168.4000111.4N209 A215 F240 Y244N209-I211 PolarHBondContact O-N 3.3Å; N209-I211 VanDerWaalsContact O-N 3.12Å; I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.49Å; I211-A215 PolarHBondContact O-N 3.01Å; I211-A215 VanDerWaalsContact O-N 3.13Å; I211-F240 HydrophobicContact CG2-CE1 4.02Å; I211-Y244 HydrophobicContact CB-CE1 4.04Å; I211-Y244 HydrophobicContact CD1-CD2 4.45Å; I211-Y244 HydrophobicContact CD1-CE1 4.18Å; I211-Y244 HydrophobicContact CD1-CE2 3.72Å; I211-Y244 HydrophobicContact CG2-CD1 4.01Å; I211-Y244 HydrophobicContact CG2-CE1 4.02Å; I211-Y244 HydrophobicContact CG2-CG 4.47Å
212Y89.8Confident85.9Confident0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-75-39.3173.9-50.7-67.5000111.6V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.33Å; V200-Y212 HydrophobicContact CB-CG 4.28Å; V200-Y212 HydrophobicContact CG1-CD1 4.21Å; V200-Y212 HydrophobicContact CG1-CD2 3.4Å; V200-Y212 VanDerWaalsContact CG1-CD2 3.4Å; V200-Y212 HydrophobicContact CG1-CE1 4.38Å; V200-Y212 HydrophobicContact CG1-CE2 3.61Å; V200-Y212 HydrophobicContact CG1-CG 3.74Å; N209-Y212 HydrophobicContact CB-CD2 4.38Å; N209-Y212 PolarHBondContact O-N 2.99Å; N209-Y212 WeakPolarHBondContact OD1-CD2 3.32Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.27Å; S210-Y212 VanDerWaalsContact C-N 3.32Å; S210-Y212 PolarHBondContact O-N 3.23Å; Y212-A215 PolarHBondContact O-N 3.07Å; Y212-F216 PolarHBondContact O-N 2.62Å; Y212-L241 HydrophobicContact CD1-CD2 3.78Å; Y212-L241 HydrophobicContact CE1-CD2 4.1Å; Y212-Y244 AromaticContact CE1-CD1 3.73Å; Y212-Y244 HydrophobicContact CE1-CD1 3.73Å; Y212-Y244 HydrophobicContact CE1-CE1 4.13Å; Y212-Y244 HydrophobicContact CE2-CD1 4.4Å; Y212-Y244 AromaticContact CE2-CE1 3.97Å; Y212-Y244 HydrophobicContact CE2-CE1 3.97Å; Y212-Y244 AromaticContact CZ-CD1 3.6Å; Y212-Y244 AromaticContact CZ-CE1 3.61Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.48Å; Y212-H248 AromaticContact CE2-ND1 3.67Å; Y212-H248 AromaticContact CZ-ND1 3.9Å; Y212-H248 PolarHBondContact OH-ND1 3.39Å; Y212-F319 HydrophobicContact CD1-CE1 4.07Å; Y212-F319 HydrophobicContact CD1-CZ 4.49Å; Y212-F319 HydrophobicContact CE1-CD1 4.24Å; Y212-F319 AromaticContact CE1-CE1 3.83Å; Y212-F319 HydrophobicContact CE1-CE1 3.83Å
213F87.8Confident85.6Confident5 Ų534.9 Ų34.92%0.02217%0.169CC..Hα-helixtrans-66-45177.8-174.1-109.4000112.4I202 N209 S210 A215 F216 L217 L483 Y487 T525I202-F213 HydrophobicContact CG1-CD2 4.48Å; N209-F213 PolarHBondContact O-N 2.96Å; S210-F213 PolarHBondContact O-N 2.89Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 2.86Å; F213-F216 HydrophobicContact CD2-CD1 4.49Å; F213-F216 WeakPolarHBondContact O-CB 3.35Å; F213-F216 PolarHBondContact O-N 2.86Å; F213-L217 HydrophobicContact CD1-CD1 4.03Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.39Å; F213-L217 HydrophobicContact CZ-CD1 4.18Å; F213-L217 PolarHBondContact O-N 3.34Å; F213-L483 HydrophobicContact CZ-CB 4.39Å; F213-L483 HydrophobicContact CZ-CD2 4.2Å; F213-Y487 HydrophobicContact CB-CD2 4.5Å; F213-Y487 HydrophobicContact CB-CE2 4.08Å; F213-Y487 AromaticContact CD1-CD2 3.71Å; F213-Y487 HydrophobicContact CD1-CD2 3.71Å; F213-Y487 HydrophobicContact CD1-CE2 4.12Å; F213-Y487 HydrophobicContact CD1-CG 4.09Å; F213-Y487 HydrophobicContact CD2-CD2 4.32Å; F213-Y487 AromaticContact CE1-CD2 3.88Å; F213-Y487 HydrophobicContact CE1-CD2 3.88Å; F213-Y487 HydrophobicContact CE1-CG 4.1Å; F213-Y487 HydrophobicContact CE2-CD2 4.48Å; F213-Y487 AromaticContact CG-CD2 3.94Å; F213-Y487 HydrophobicContact CG-CD2 3.94Å; F213-Y487 HydrophobicContact CG-CE2 4Å; F213-Y487 HydrophobicContact CZ-CD2 4.27Å; F213-T525 HydrophobicContact CE2-CG2 4.16Å
214L87.9Confident85.6Confident97 Ų9734.8 Ų34.851%0.50817%0.169SC..Hα-helixtrans-64-37.6173.2-72.1170.2000112S210 L217 F218S210-L214 WeakPolarHBondContact O-CB 3.37Å; S210-L214 WeakPolarHBondContact O-CG 3.36Å; S210-L214 PolarHBondContact O-N 3.19Å; L214-L217 PolarHBondContact O-N 3.03Å; L214-F218 VanDerWaalsContact O-CB 3.24Å; L214-F218 WeakPolarHBondContact O-CB 3.48Å; L214-F218 PolarHBondContact O-N 3.13Å
215A86.3Confident85.5Confident20 Ų2035.5 Ų35.517%0.16518%0.176CC..Hα-helixtrans-64.9-39.1172.900000112I211 Y212 F213 I219I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.49Å; I211-A215 PolarHBondContact O-N 3.01Å; I211-A215 VanDerWaalsContact O-N 3.13Å; Y212-A215 PolarHBondContact O-N 3.07Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 2.86Å; A215-I219 WeakPolarHBondContact O-CB 3.3Å; A215-I219 WeakPolarHBondContact O-CD1 3.45Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 3.38Å
216F87.8Confident85.3Confident6 Ų637.8 Ų37.83%0.02618%0.182CC..Hα-helixtrans-63.5-48.4173.7160.5-105000112.1F194 A198 Y212 F213 I219 S220 T525F194-F216 HydrophobicContact CD2-CD2 4.38Å; F194-F216 HydrophobicContact CE1-CE2 4.12Å; F194-F216 AromaticContact CE2-CD2 3.81Å; F194-F216 HydrophobicContact CE2-CD2 3.81Å; F194-F216 AromaticContact CE2-CE2 3.9Å; F194-F216 HydrophobicContact CE2-CE2 3.9Å; F194-F216 AromaticContact CZ-CD2 3.97Å; F194-F216 HydrophobicContact CZ-CD2 3.97Å; F194-F216 AromaticContact CZ-CE2 3.56Å; F194-F216 HydrophobicContact CZ-CE2 3.56Å; A198-F216 HydrophobicContact CB-CB 4.43Å; A198-F216 HydrophobicContact CB-CD1 4.12Å; A198-F216 HydrophobicContact CB-CD2 3.61Å; A198-F216 HydrophobicContact CB-CE1 4.3Å; A198-F216 HydrophobicContact CB-CE2 3.8Å; A198-F216 HydrophobicContact CB-CG 3.77Å; A198-F216 HydrophobicContact CB-CZ 4.15Å; Y212-F216 PolarHBondContact O-N 2.62Å; F213-F216 HydrophobicContact CD2-CD1 4.49Å; F213-F216 WeakPolarHBondContact O-CB 3.35Å; F213-F216 PolarHBondContact O-N 2.86Å; F216-I219 PolarHBondContact O-N 3.48Å; F216-S220 WeakPolarHBondContact CE2-OG 3.47Å; F216-S220 WeakPolarHBondContact O-CB 3.46Å; F216-S220 PolarHBondContact O-N 2.94Å; F216-S220 PolarHBondContact O-OG 2.93Å; F216-T525 HydrophobicContact CE1-CG2 4.14Å
217L85.7Confident84.7Confident10 Ų1040.8 Ų40.85%0.05220%0.201CC..Hα-helixtrans-57.9-54.7175.2-74.7174.5000110.1F213 L214 I219 S220 T221 L483 I484 F532F213-L217 HydrophobicContact CD1-CD1 4.03Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.39Å; F213-L217 HydrophobicContact CZ-CD1 4.18Å; F213-L217 PolarHBondContact O-N 3.34Å; L214-L217 PolarHBondContact O-N 3.03Å; L217-I219 VanDerWaalsContact C-N 3.32Å; L217-I219 PolarHBondContact O-N 3.48Å; L217-S220 CarbonylContact O-C 3.58Å; L217-S220 WeakPolarHBondContact O-CA 3.4Å; L217-S220 WeakPolarHBondContact O-CB 3.29Å; L217-S220 PolarHBondContact O-N 2.95Å; L217-T221 PolarHBondContact O-N 3.25Å; L217-T221 PolarHBondContact O-OG1 3.4Å; L217-L483 HydrophobicContact CD2-CD1 4.24Å; L217-I484 HydrophobicContact CD1-CG1 4.22Å; L217-F532 HydrophobicContact CD2-CZ 4.42Å
218F85.5Confident83.7Confident113 Ų11343 Ų4350%0.49622%0.22SC..Hα-helixtrans-53.4-44.5179.4-178.3-98.7000113.2L214 W222L214-F218 VanDerWaalsContact O-CB 3.24Å; L214-F218 WeakPolarHBondContact O-CB 3.48Å; L214-F218 PolarHBondContact O-N 3.13Å; F218-W222 AromaticContact CE1-CE3 3.97Å; F218-W222 HydrophobicContact CE1-CE3 3.97Å; F218-W222 HydrophobicContact CE1-CZ3 4.42Å; F218-W222 HydrophobicContact CE2-CE3 4.11Å; F218-W222 HydrophobicContact CE2-CZ3 4.34Å; F218-W222 AromaticContact CZ-CE3 3.54Å; F218-W222 HydrophobicContact CZ-CE3 3.54Å; F218-W222 AromaticContact CZ-CZ3 3.7Å; F218-W222 HydrophobicContact CZ-CZ3 3.7Å; F218-W222 WeakPolarHBondContact O-CB 3.39Å; F218-W222 PolarHBondContact O-N 3.01Å
219I83.6Confident82.6Confident19 Ų1945.4 Ų45.410%0.09723%0.232CC..Hα-helixtrans-67.5-37.3177-66.8164.9000111.4F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.43Å; F194-I219 HydrophobicContact CD2-CG2 3.71Å; F194-I219 HydrophobicContact CE2-CB 4.36Å; F194-I219 HydrophobicContact CE2-CG2 3.85Å; A215-I219 WeakPolarHBondContact O-CB 3.3Å; A215-I219 WeakPolarHBondContact O-CD1 3.45Å; A215-I219 WeakPolarHBondContact O-CG1 3.34Å; A215-I219 PolarHBondContact O-N 3.38Å; F216-I219 PolarHBondContact O-N 3.48Å; L217-I219 VanDerWaalsContact C-N 3.32Å; L217-I219 PolarHBondContact O-N 3.48Å; I219-W223 VanDerWaalsContact O-CB 3.27Å; I219-W223 WeakPolarHBondContact O-CB 3.49Å; I219-W223 PolarHBondContact O-N 3.01Å
220S81.9Confident81.7Confident2 Ų255.3 Ų55.31%0.01427%0.269CS..Hα-helixtrans-68.4-49178.1-58.30000112.1F194 F216 L217 W222 W223 S224F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.25Å; F194-S220 VanDerWaalsContact CZ-OG 3.25Å; F194-S220 WeakPolarHBondContact CZ-OG 3.49Å; F216-S220 WeakPolarHBondContact CE2-OG 3.47Å; F216-S220 WeakPolarHBondContact O-CB 3.46Å; F216-S220 PolarHBondContact O-N 2.94Å; F216-S220 PolarHBondContact O-OG 2.93Å; L217-S220 CarbonylContact O-C 3.58Å; L217-S220 WeakPolarHBondContact O-CA 3.4Å; L217-S220 WeakPolarHBondContact O-CB 3.29Å; L217-S220 PolarHBondContact O-N 2.95Å; S220-W222 VanDerWaalsContact C-N 3.34Å; S220-W222 PolarHBondContact O-N 3.44Å; S220-W223 PolarHBondContact O-N 3.38Å; S220-S224 PolarHBondContact O-N 2.75Å
221T85.3Confident80.7Confident40 Ų4060 Ų6025%0.24529%0.289CS..Hα-helixtrans-60.5-45.3175.2-380000109.5L217 W223 S224 T225 E480L217-T221 PolarHBondContact O-N 3.25Å; L217-T221 PolarHBondContact O-OG1 3.4Å; T221-W223 PolarHBondContact O-N 3.18Å; T221-S224 WeakPolarHBondContact O-CB 3.44Å; T221-S224 PolarHBondContact O-N 2.85Å; T221-S224 VanDerWaalsContact O-N 3.1Å; T221-S224 PolarHBondContact O-OG 2.81Å; T221-T225 WeakPolarHBondContact O-CG2 3.42Å; T221-T225 PolarHBondContact O-N 3.36Å; T221-E480 WeakPolarHBondContact CG2-OE1 3.45Å; T221-E480 PolarHBondContact OG1-OE1 3.04Å
222W84.9Confident79.8Confident106 Ų10659.7 Ų59.740%0.40230%0.299SS..Hα-helixtrans-58.2-47.2174.8-162-68.3000112.1F218 S220 S224 T225 T227 L229F218-W222 AromaticContact CE1-CE3 3.97Å; F218-W222 HydrophobicContact CE1-CE3 3.97Å; F218-W222 HydrophobicContact CE1-CZ3 4.42Å; F218-W222 HydrophobicContact CE2-CE3 4.11Å; F218-W222 HydrophobicContact CE2-CZ3 4.34Å; F218-W222 AromaticContact CZ-CE3 3.54Å; F218-W222 HydrophobicContact CZ-CE3 3.54Å; F218-W222 AromaticContact CZ-CZ3 3.7Å; F218-W222 HydrophobicContact CZ-CZ3 3.7Å; F218-W222 WeakPolarHBondContact O-CB 3.39Å; F218-W222 PolarHBondContact O-N 3.01Å; S220-W222 VanDerWaalsContact C-N 3.34Å; S220-W222 PolarHBondContact O-N 3.44Å; W222-S224 VanDerWaalsContact C-N 3.26Å; W222-S224 PolarHBondContact O-N 3.09Å; W222-T225 PolarHBondContact O-N 3.12Å; W222-T225 VanDerWaalsContact O-N 3.1Å; W222-T225 PolarHBondContact O-OG1 2.98Å; W222-T227 PolarHBondContact NE1-OG1 3.41Å; W222-L229 HydrophobicContact CB-CD1 4.4Å; W222-L229 HydrophobicContact CG-CD1 4Å
223W81.9Confident79.1Confident111 Ų11162.8 Ų62.842%0.4232%0.318SS..Hα-helixtrans-60.8-33.5176178.897.3000112.7I219 S220 T221 T225 F532 L533 R536I219-W223 VanDerWaalsContact O-CB 3.27Å; I219-W223 WeakPolarHBondContact O-CB 3.49Å; I219-W223 PolarHBondContact O-N 3.01Å; S220-W223 PolarHBondContact O-N 3.38Å; T221-W223 PolarHBondContact O-N 3.18Å; W223-T225 VanDerWaalsContact C-N 3.34Å; W223-F532 HydrophobicContact CZ3-CB 4.4Å; W223-L533 HydrophobicContact CH2-CD1 4.49Å; W223-R536 VanDerWaalsContact CE2-NH1 3.34Å; W223-R536 VanDerWaalsContact CH2-CD 3.43Å; W223-R536 HydrophobicContact CZ3-CB 4.39Å; W223-R536 PolarHBondContact O-NH1 2.88Å
224S82.8Confident78.5Confident0 Ų064.3 Ų64.30%032%0.324CS..Hα-helixtrans-69.6-27.8175.583.90000113.3S220 T221 W222 Y226 F532 R536S220-S224 PolarHBondContact O-N 2.75Å; T221-S224 WeakPolarHBondContact O-CB 3.44Å; T221-S224 PolarHBondContact O-N 2.85Å; T221-S224 VanDerWaalsContact O-N 3.1Å; T221-S224 PolarHBondContact O-OG 2.81Å; W222-S224 VanDerWaalsContact C-N 3.26Å; W222-S224 PolarHBondContact O-N 3.09Å; S224-Y226 PolarHBondContact O-N 2.89Å; S224-Y226 VanDerWaalsContact O-N 3.16Å; S224-F532 WeakPolarHBondContact CB-O 3.42Å; S224-R536 VanDerWaalsContact O-CA 3.23Å; S224-R536 WeakPolarHBondContact O-CA 3.38Å; S224-R536 PolarHBondContact O-N 2.95Å
225T82.8Confident78Confident44 Ų4461.1 Ų61.127%0.2731%0.307SS..THydrogen-bonded Turntrans-72.7-4.7-179.767.80000115T221 W222 W223 T227T221-T225 WeakPolarHBondContact O-CG2 3.42Å; T221-T225 PolarHBondContact O-N 3.36Å; W222-T225 PolarHBondContact O-N 3.12Å; W222-T225 VanDerWaalsContact O-N 3.1Å; W222-T225 PolarHBondContact O-OG1 2.98Å; W223-T225 VanDerWaalsContact C-N 3.34Å; T225-T227 VanDerWaalsContact C-N 3.26Å; T225-T227 PolarHBondContact O-N 2.79Å; T225-T227 PolarHBondContact OG1-OG1 2.94Å
226Y76.2Confident77.7Confident64 Ų6466.3 Ų66.325%0.25133%0.328SS..THydrogen-bonded Turntrans63.423.8-177-161.2-108.3000114.4S224 R536 R540 F543S224-Y226 PolarHBondContact O-N 2.89Å; S224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-R536 HydrophobicContact CD2-CG 4.29Å; Y226-R540 HydrophobicContact CD1-CB 4.47Å; Y226-R540 HydrophobicContact CD2-CB 3.9Å; Y226-R540 HydrophobicContact CD2-CG 4.38Å; Y226-R540 HydrophobicContact CE1-CB 4.41Å; Y226-R540 HydrophobicContact CE1-CG 4.34Å; Y226-R540 HydrophobicContact CE2-CB 3.83Å; Y226-R540 HydrophobicContact CE2-CG 3.79Å; Y226-R540 HydrophobicContact CG-CB 4.23Å; Y226-F543 HydrophobicContact CD1-CB 4.38Å; Y226-F543 HydrophobicContact CD1-CG 4.36Å; Y226-F543 HydrophobicContact CE1-CB 4.37Å; Y226-F543 AromaticContact CE1-CD1 3.8Å; Y226-F543 HydrophobicContact CE1-CD1 3.8Å; Y226-F543 HydrophobicContact CE1-CE1 4.29Å; Y226-F543 HydrophobicContact CE1-CG 4.07Å
227T71.6Confident77.5Confident65 Ų6567.7 Ų67.740%0.39934%0.335SS..  trans-97.4140.8175.360.10000111.9W222 T225W222-T227 PolarHBondContact NE1-OG1 3.41Å; T225-T227 VanDerWaalsContact C-N 3.26Å; T225-T227 PolarHBondContact O-N 2.79Å; T225-T227 PolarHBondContact OG1-OG1 2.94Å
228P65.1Low77.4Confident119 Ų11967.3 Ų67.377%0.77333%0.333SS*.  trans-79.1123.1-178.129.9-33.5000112.4R230P228-R230 PolarHBondContact O-N 3.16Å
229L64.1Low77.3Confident56 Ų5668 Ų6829%0.29334%0.336SS..  trans-76.3107.2176.4-131.2149.1000109.6W222 H231 V233 Y234 I237W222-L229 HydrophobicContact CB-CD1 4.4Å; W222-L229 HydrophobicContact CG-CD1 4Å; L229-H231 PolarHBondContact O-N 2.95Å; L229-V233 HydrophobicContact CD2-CB 4.5Å; L229-V233 HydrophobicContact CD2-CG1 4.39Å; L229-Y234 HydrophobicContact CD2-CD2 4.36Å; L229-Y234 HydrophobicContact CD2-CG 4.48Å; L229-I237 HydrophobicContact CD2-CD1 4.43Å
230R68Low77.5Confident207 Ų20772.8 Ų72.878%0.78136%0.356SS*.  trans-58.5132.9-179.7-77.9-177.8169.4-175.7-3.4110.4P228 G232 V233 Y234P228-R230 PolarHBondContact O-N 3.16Å; R230-G232 PolarHBondContact O-N 2.79Å; R230-V233 HydrophobicContact CB-CG2 4.2Å; R230-V233 PolarHBondContact O-N 3.37Å; R230-Y234 PolarHBondContact O-N 3.02Å
231H65.8Low77.8Confident120 Ų12073.1 Ų73.156%0.55636%0.358SS*.Hα-helixtrans-52.8-32.8179.3-95.3-87.6000113.9L229 N235L229-H231 PolarHBondContact O-N 2.95Å; H231-N235 VanDerWaalsContact O-CB 3.29Å; H231-N235 WeakPolarHBondContact O-CB 3.38Å; H231-N235 PolarHBondContact O-N 2.91Å
232G70.6Confident77.8Confident49 Ų4972.7 Ų72.751%0.50535%0.354SS..Hα-helixtrans-62.7-47.1173.700000113.3R230 N235 Q236R230-G232 PolarHBondContact O-N 2.79Å; G232-N235 PolarHBondContact O-N 3.3Å; G232-Q236 WeakPolarHBondContact O-CG 3.49Å; G232-Q236 PolarHBondContact O-N 2.95Å
233V75.7Confident78Confident66 Ų6674.3 Ų74.340%0.436%0.364SS..Hα-helixtrans-66.2-43.2178-178.60000110.4L229 R230 N235 Q236 I237L229-V233 HydrophobicContact CD2-CB 4.5Å; L229-V233 HydrophobicContact CD2-CG1 4.39Å; R230-V233 HydrophobicContact CB-CG2 4.2Å; R230-V233 PolarHBondContact O-N 3.37Å; V233-N235 VanDerWaalsContact C-N 3.32Å; V233-N235 PolarHBondContact O-N 2.77Å; V233-Q236 WeakPolarHBondContact O-CB 3.29Å; V233-Q236 PolarHBondContact O-N 3.12Å; V233-Q236 VanDerWaalsContact O-N 3.09Å; V233-I237 HydrophobicContact CG1-CD1 4.15Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 PolarHBondContact O-N 3.43Å
234Y75.1Confident78.4Confident36 Ų3670.7 Ų70.714%0.14135%0.35CS..Hα-helixtrans-63.5-37.7176.2-168.6-133.5000112.3L229 R230 I237 K238L229-Y234 HydrophobicContact CD2-CD2 4.36Å; L229-Y234 HydrophobicContact CD2-CG 4.48Å; R230-Y234 PolarHBondContact O-N 3.02Å; Y234-I237 PolarHBondContact O-N 3.45Å; Y234-K238 VanDerWaalsContact CD1-CE 3.4Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.35Å; Y234-K238 WeakPolarHBondContact O-CG 3.36Å; Y234-K238 PolarHBondContact O-N 3.07Å
235N76.9Confident78.6Confident30 Ų3070.7 Ų70.716%0.1635%0.35CS..Hα-helixtrans-71-26.9173.1-78.3-15.4000113.1H231 G232 V233 K239 T330H231-N235 VanDerWaalsContact O-CB 3.29Å; H231-N235 WeakPolarHBondContact O-CB 3.38Å; H231-N235 PolarHBondContact O-N 2.91Å; G232-N235 PolarHBondContact O-N 3.3Å; V233-N235 VanDerWaalsContact C-N 3.32Å; V233-N235 PolarHBondContact O-N 2.77Å; N235-K239 PolarHBondContact O-N 3.07Å; N235-T330 PolarHBondContact ND2-O 3.23Å; N235-T330 PolarHBondContact OD1-OG1 3.45Å
236Q81Confident78.8Confident130 Ų13069.7 Ų69.761%0.60735%0.346SS*.Hα-helixtrans-68.7-46.5169.3-77.6173.8-34.300111.4G232 V233 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.49Å; G232-Q236 PolarHBondContact O-N 2.95Å; V233-Q236 WeakPolarHBondContact O-CB 3.29Å; V233-Q236 PolarHBondContact O-N 3.12Å; V233-Q236 VanDerWaalsContact O-N 3.09Å; Q236-K238 VanDerWaalsContact C-N 3.31Å; Q236-K238 PolarHBondContact O-N 3.31Å; Q236-K239 WeakPolarHBondContact O-CB 3.11Å; Q236-K239 PolarHBondContact O-N 3Å; Q236-F240 PolarHBondContact O-N 3.22Å
237I82.4Confident79.3Confident35 Ų3570.6 Ų70.618%0.17936%0.355CS..Hα-helixtrans-58.2-44.1175-65.8165.6000110.4L229 V233 Y234 K239 F240 L241L229-I237 HydrophobicContact CD2-CD1 4.43Å; V233-I237 HydrophobicContact CG1-CD1 4.15Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 PolarHBondContact O-N 3.43Å; Y234-I237 PolarHBondContact O-N 3.45Å; I237-K239 PolarHBondContact O-N 3.15Å; I237-F240 PolarHBondContact O-N 3.27Å; I237-L241 HydrophobicContact CG2-CD1 3.8Å; I237-L241 WeakPolarHBondContact O-CG 3.41Å; I237-L241 PolarHBondContact O-N 2.92Å
238K83.8Confident80.2Confident1 Ų167.9 Ų67.90%0.00434%0.338CS..Hα-helixtrans-60.1-43.2172.2-71.3175.6-160.3170.90112.9L193 Y234 Q236 F240 L241 I242 T330L193-K238 HydrophobicContact CD2-CG 4.44Å; Y234-K238 VanDerWaalsContact CD1-CE 3.4Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.35Å; Y234-K238 WeakPolarHBondContact O-CG 3.36Å; Y234-K238 PolarHBondContact O-N 3.07Å; Q236-K238 VanDerWaalsContact C-N 3.31Å; Q236-K238 PolarHBondContact O-N 3.31Å; K238-F240 VanDerWaalsContact C-N 3.32Å; K238-F240 PolarHBondContact O-N 3.35Å; K238-L241 PolarHBondContact O-N 3.27Å; K238-I242 WeakPolarHBondContact O-CB 3.47Å; K238-I242 WeakPolarHBondContact O-CD1 3.5Å; K238-I242 WeakPolarHBondContact O-CG1 3.44Å; K238-I242 PolarHBondContact O-N 2.93Å; K238-T330 PolarHBondContact NZ-OG1 3.11Å
239K84.2Confident81.3Confident128 Ų12863.2 Ų63.256%0.55731%0.306SS*.Hα-helixtrans-58-44.9176.5-102.3-173.8170.5-171.40111.5N235 Q236 I237 I242 F243 Y327N235-K239 PolarHBondContact O-N 3.07Å; Q236-K239 WeakPolarHBondContact O-CB 3.11Å; Q236-K239 PolarHBondContact O-N 3Å; I237-K239 PolarHBondContact O-N 3.15Å; K239-I242 PolarHBondContact O-N 3.02Å; K239-F243 PolarHBondContact O-N 3.15Å; K239-F243 VanDerWaalsContact O-N 3.08Å; K239-Y327 WeakPolarHBondContact CE-OH 3.32Å; K239-Y327 HydrophobicContact CG-CE2 4.28Å
240F88.3Confident82.3Confident120 Ų12062.9 Ų62.953%0.52630%0.304SS..Hα-helixtrans-61.7-48.5175.6176.8-100.3000111.5I211 Q236 I237 K238 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 4.02Å; Q236-F240 PolarHBondContact O-N 3.22Å; I237-F240 PolarHBondContact O-N 3.27Å; K238-F240 VanDerWaalsContact C-N 3.32Å; K238-F240 PolarHBondContact O-N 3.35Å; F240-I242 PolarHBondContact O-N 3.1Å; F240-F243 PolarHBondContact O-N 2.92Å; F240-Y244 WeakPolarHBondContact O-CB 3.41Å; F240-Y244 PolarHBondContact O-N 3.26Å
241L87.1Confident83.2Confident9 Ų956 Ų565%0.04729%0.285CS..Hα-helixtrans-63.2-35.6178-73.1164000113.6T197 Y212 I237 K238 S245 F319T197-L241 HydrophobicContact CG2-CD1 4.37Å; Y212-L241 HydrophobicContact CD1-CD2 3.78Å; Y212-L241 HydrophobicContact CE1-CD2 4.1Å; I237-L241 HydrophobicContact CG2-CD1 3.8Å; I237-L241 WeakPolarHBondContact O-CG 3.41Å; I237-L241 PolarHBondContact O-N 2.92Å; K238-L241 PolarHBondContact O-N 3.27Å; L241-S245 VanDerWaalsContact O-CB 3.28Å; L241-S245 WeakPolarHBondContact O-CB 3.37Å; L241-S245 PolarHBondContact O-N 3.06Å; L241-S245 PolarHBondContact O-OG 3.29Å; L241-F319 HydrophobicContact CB-CE1 4.11Å; L241-F319 HydrophobicContact CB-CZ 4.17Å; L241-F319 HydrophobicContact CD1-CZ 4.23Å; L241-F319 HydrophobicContact CD2-CE1 4.2Å; L241-F319 HydrophobicContact CD2-CZ 4.13Å; L241-F319 HydrophobicContact CG-CZ 4.42Å
242I86.4Confident84.1Confident30 Ų3050.8 Ų50.815%0.15426%0.261CS..Hα-helixtrans-66.5-44.3174.6-71.3163000110.7K238 K239 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.47Å; K238-I242 WeakPolarHBondContact O-CD1 3.5Å; K238-I242 WeakPolarHBondContact O-CG1 3.44Å; K238-I242 PolarHBondContact O-N 2.93Å; K239-I242 PolarHBondContact O-N 3.02Å; F240-I242 PolarHBondContact O-N 3.1Å; I242-S245 PolarHBondContact O-OG 2.92Å; I242-A246 WeakPolarHBondContact O-CB 3.38Å; I242-A246 PolarHBondContact O-N 3.27Å; I242-A246 VanDerWaalsContact O-N 3.15Å; I242-F320 HydrophobicContact CG2-CD2 4.32Å; I242-F320 HydrophobicContact CG2-CE2 3.99Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.35Å; I242-V324 HydrophobicContact CD1-CG2 4.19Å; I242-V324 HydrophobicContact CG1-CG2 4.1Å; I242-V324 HydrophobicContact CG2-CG2 3.82Å; I242-Y327 HydrophobicContact CD1-CD1 4.39Å; I242-Y327 HydrophobicContact CD1-CG 4.08Å
243F87.8Confident84.8Confident141 Ų14149.4 Ų49.462%0.61824%0.24SC*.Hα-helixtrans-65.9-45.8176.4-179.6-99.6000111.5K239 F240 A246 L247K239-F243 PolarHBondContact O-N 3.15Å; K239-F243 VanDerWaalsContact O-N 3.08Å; F240-F243 PolarHBondContact O-N 2.92Å; F243-A246 PolarHBondContact O-N 2.65Å; F243-L247 WeakPolarHBondContact O-CB 3.37Å; F243-L247 PolarHBondContact O-N 2.63Å
244Y90.4Very high85.3Confident35 Ų3548.2 Ų48.214%0.13723%0.234CC..Hα-helixtrans-66.2-41.9-179.7-173.7-104.8000112.7S208 I211 Y212 F240 L247 H248S208-Y244 VanDerWaalsContact CA-OH 3.29Å; S208-Y244 WeakPolarHBondContact CA-OH 3.37Å; S208-Y244 WeakPolarHBondContact CB-OH 3.26Å; S208-Y244 PolarHBondContact O-OH 3.47Å; S208-Y244 VanDerWaalsContact O-OH 3.07Å; I211-Y244 HydrophobicContact CB-CE1 4.04Å; I211-Y244 HydrophobicContact CD1-CD2 4.45Å; I211-Y244 HydrophobicContact CD1-CE1 4.18Å; I211-Y244 HydrophobicContact CD1-CE2 3.72Å; I211-Y244 HydrophobicContact CG2-CD1 4.01Å; I211-Y244 HydrophobicContact CG2-CE1 4.02Å; I211-Y244 HydrophobicContact CG2-CG 4.47Å; Y212-Y244 AromaticContact CE1-CD1 3.73Å; Y212-Y244 HydrophobicContact CE1-CD1 3.73Å; Y212-Y244 HydrophobicContact CE1-CE1 4.13Å; Y212-Y244 HydrophobicContact CE2-CD1 4.4Å; Y212-Y244 AromaticContact CE2-CE1 3.97Å; Y212-Y244 HydrophobicContact CE2-CE1 3.97Å; Y212-Y244 AromaticContact CZ-CD1 3.6Å; Y212-Y244 AromaticContact CZ-CE1 3.61Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.48Å; F240-Y244 WeakPolarHBondContact O-CB 3.41Å; F240-Y244 PolarHBondContact O-N 3.26Å; Y244-L247 PolarHBondContact O-N 3.33Å; Y244-H248 HydrophobicContact CE1-CB 4.43Å; Y244-H248 WeakPolarHBondContact O-CB 3.47Å; Y244-H248 PolarHBondContact O-N 3.49Å
245S88.1Confident85.8Confident0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-66.2-37.4175.452.30000113.1L241 I242 F249L241-S245 VanDerWaalsContact O-CB 3.28Å; L241-S245 WeakPolarHBondContact O-CB 3.37Å; L241-S245 PolarHBondContact O-N 3.06Å; L241-S245 PolarHBondContact O-OG 3.29Å; I242-S245 PolarHBondContact O-OG 2.92Å; S245-F249 WeakPolarHBondContact O-CB 3.15Å; S245-F249 PolarHBondContact O-N 3.09Å
246A86Confident86.1Confident22 Ų2246 Ų4618%0.18222%0.223CC..Hα-helixtrans-62.8-45.4172.200000111.8I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.38Å; I242-A246 PolarHBondContact O-N 3.27Å; I242-A246 VanDerWaalsContact O-N 3.15Å; F243-A246 PolarHBondContact O-N 2.65Å; A246-L250 WeakPolarHBondContact O-CB 3.39Å; A246-L250 PolarHBondContact O-N 3.38Å; A246-F320 HydrophobicContact CB-CD2 4.18Å; A246-F320 HydrophobicContact CB-CE2 3.94Å
247L88.1Confident86.1Confident83 Ų8339.8 Ų39.844%0.43519%0.194SC..Hα-helixtrans-62.6-47.4176.1-17081.2000111.7F243 Y244 F249 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.37Å; F243-L247 PolarHBondContact O-N 2.63Å; Y244-L247 PolarHBondContact O-N 3.33Å; L247-F249 PolarHBondContact O-N 3.5Å; L247-L250 WeakPolarHBondContact O-CB 3.4Å; L247-L250 PolarHBondContact O-N 3.36Å; L247-L250 VanDerWaalsContact O-N 3.13Å; L247-V251 WeakPolarHBondContact O-CG2 3.47Å; L247-V251 PolarHBondContact O-N 3.14Å
248H89.2Confident85.7Confident9 Ų938.9 Ų38.94%0.04219%0.191CC..Hα-helixtrans-63.2-41.9-178.2-174.9-161.8000111.8S208 N209 Y212 Y244 V251 L252 V316S208-H248 WeakPolarHBondContact CB-NE2 3.38Å; S208-H248 PolarHBondContact OG-NE2 3.03Å; N209-H248 PolarHBondContact OD1-CE1 2.92Å; Y212-H248 AromaticContact CE2-ND1 3.67Å; Y212-H248 AromaticContact CZ-ND1 3.9Å; Y212-H248 PolarHBondContact OH-ND1 3.39Å; Y244-H248 HydrophobicContact CE1-CB 4.43Å; Y244-H248 WeakPolarHBondContact O-CB 3.47Å; Y244-H248 PolarHBondContact O-N 3.49Å; H248-V251 PolarHBondContact O-N 3.05Å; H248-L252 WeakPolarHBondContact O-CB 3.46Å; H248-L252 WeakPolarHBondContact O-CG 3.34Å; H248-L252 PolarHBondContact O-N 3.48Å; H248-V316 HydrophobicContact CB-CG1 4.49Å
249F87.7Confident85.4Confident21 Ų2140.9 Ų40.99%0.09220%0.201CC..Hα-helixtrans-63.2-40.5172.2-172.8-94.3000112L21 V36 S245 L247 V251 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.13Å; L21-F249 HydrophobicContact CD2-CZ 4.04Å; V36-F249 HydrophobicContact CG1-CD1 4.13Å; V36-F249 HydrophobicContact CG1-CE1 3.85Å; S245-F249 WeakPolarHBondContact O-CB 3.15Å; S245-F249 PolarHBondContact O-N 3.09Å; L247-F249 PolarHBondContact O-N 3.5Å; F249-V251 PolarHBondContact O-N 2.99Å; F249-L252 PolarHBondContact O-N 3.27Å; F249-Y253 VanDerWaalsContact O-CB 3.3Å; F249-Y253 WeakPolarHBondContact O-CB 3.26Å; F249-Y253 PolarHBondContact O-N 3.08Å; F249-V316 HydrophobicContact CB-CG1 4.26Å; F249-L317 HydrophobicContact CD1-CD1 4.45Å; F249-L317 HydrophobicContact CD2-CB 4.22Å; F249-L317 HydrophobicContact CD2-CD1 4.08Å; F249-L317 HydrophobicContact CE1-CD1 4.14Å; F249-L317 HydrophobicContact CE2-CB 4.09Å; F249-L317 HydrophobicContact CE2-CD1 3.73Å; F249-L317 HydrophobicContact CE2-CG 4.46Å; F249-L317 HydrophobicContact CG-CD1 4.43Å; F249-L317 HydrophobicContact CZ-CD1 3.77Å
250L86.3Confident85.1Confident49 Ų4935.3 Ų35.326%0.25718%0.178SC..Hα-helixtrans-61.2-43.5176.4-123.7161.9000112.1I33 A246 L247 Y253 T254I33-L250 HydrophobicContact CG2-CD2 4.36Å; A246-L250 WeakPolarHBondContact O-CB 3.39Å; A246-L250 PolarHBondContact O-N 3.38Å; L247-L250 WeakPolarHBondContact O-CB 3.4Å; L247-L250 PolarHBondContact O-N 3.36Å; L247-L250 VanDerWaalsContact O-N 3.13Å; L250-Y253 PolarHBondContact O-N 3.45Å; L250-T254 HydrophobicContact CD2-CG2 4.46Å; L250-T254 PolarHBondContact O-N 3.45Å; L250-T254 PolarHBondContact O-OG1 2.98Å; L250-T254 VanDerWaalsContact O-OG1 3.04Å
251V86.6Confident84.6Confident62 Ų6230.1 Ų30.138%0.37616%0.155SC..Hα-helixtrans-67.4-43.3177.4174.60000111.7L247 H248 F249 Y253 T254 Y255 L277L247-V251 WeakPolarHBondContact O-CG2 3.47Å; L247-V251 PolarHBondContact O-N 3.14Å; H248-V251 PolarHBondContact O-N 3.05Å; F249-V251 PolarHBondContact O-N 2.99Å; V251-Y253 PolarHBondContact O-N 3.43Å; V251-T254 PolarHBondContact O-N 2.81Å; V251-T254 PolarHBondContact O-OG1 3.25Å; V251-Y255 PolarHBondContact O-N 2.96Å; V251-Y255 VanDerWaalsContact O-N 3.11Å; V251-L277 HydrophobicContact CG1-CD1 4.49Å; V251-L277 HydrophobicContact CG1-CD2 3.83Å
252L84.6Confident83.9Confident11 Ų1135.7 Ų35.76%0.05818%0.181CC..Hα-helixtrans-59.9-36.6173.7-77.8167.7000111.8H248 F249 Q256 L277 P313H248-L252 WeakPolarHBondContact O-CB 3.46Å; H248-L252 WeakPolarHBondContact O-CG 3.34Å; H248-L252 PolarHBondContact O-N 3.48Å; F249-L252 PolarHBondContact O-N 3.27Å; L252-Q256 WeakPolarHBondContact O-CG 3.35Å; L252-Q256 PolarHBondContact O-NE2 2.94Å; L252-L277 HydrophobicContact CD2-CD2 4.22Å; L252-P313 HydrophobicContact CD1-CB 4.44Å
253Y86Confident83.4Confident19 Ų1938 Ų388%0.07520%0.199CC..Hα-helixtrans-74-46.2179-169.9-91.9000112.9A24 S32 I33 V36 F249 L250 V251 Y255 Q256A24-Y253 WeakPolarHBondContact CA-OH 3.47Å; A24-Y253 HydrophobicContact CB-CE2 4.12Å; A24-Y253 WeakPolarHBondContact CB-OH 3.49Å; A24-Y253 PolarHBondContact O-OH 3.36Å; S32-Y253 VanDerWaalsContact CB-OH 3.22Å; S32-Y253 WeakPolarHBondContact CB-OH 2.98Å; S32-Y253 WeakPolarHBondContact OG-CE1 3.42Å; S32-Y253 PolarHBondContact OG-OH 3.39Å; I33-Y253 HydrophobicContact CG1-CD1 4.42Å; I33-Y253 HydrophobicContact CG1-CE1 4.23Å; V36-Y253 HydrophobicContact CG2-CD1 4.11Å; V36-Y253 HydrophobicContact CG2-CD2 4.07Å; V36-Y253 HydrophobicContact CG2-CE1 3.86Å; V36-Y253 HydrophobicContact CG2-CE2 3.82Å; V36-Y253 HydrophobicContact CG2-CG 4.21Å; F249-Y253 VanDerWaalsContact O-CB 3.3Å; F249-Y253 WeakPolarHBondContact O-CB 3.26Å; F249-Y253 PolarHBondContact O-N 3.08Å; L250-Y253 PolarHBondContact O-N 3.45Å; V251-Y253 PolarHBondContact O-N 3.43Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 3.37Å; Y253-Q256 WeakPolarHBondContact O-CB 3.41Å; Y253-Q256 PolarHBondContact O-N 3.04Å; Y253-Q256 VanDerWaalsContact O-N 3.11Å
254T85.1Confident83.1Confident42 Ų4239.5 Ų39.526%0.25820%0.201SC..Hα-helixtrans-64.8-29.7177.242.70000112.6I33 L250 V251 Q256 I257 V260I33-T254 HydrophobicContact CD1-CG2 3.98Å; L250-T254 HydrophobicContact CD2-CG2 4.46Å; L250-T254 PolarHBondContact O-N 3.45Å; L250-T254 PolarHBondContact O-OG1 2.98Å; L250-T254 VanDerWaalsContact O-OG1 3.04Å; V251-T254 PolarHBondContact O-N 2.81Å; V251-T254 PolarHBondContact O-OG1 3.25Å; T254-Q256 PolarHBondContact O-N 2.72Å; T254-I257 HydrophobicContact CG2-CD1 4.23Å; T254-I257 WeakPolarHBondContact O-CB 3.43Å; T254-I257 PolarHBondContact O-N 3.29Å; T254-I257 VanDerWaalsContact O-N 3.1Å; T254-V260 WeakPolarHBondContact O-CB 3.35Å; T254-V260 WeakPolarHBondContact O-CG2 3.48Å
255Y85.8Confident82.3Confident5 Ų540.4 Ų40.42%0.0221%0.208CC..Hα-helixtrans-63.9-24.9173.9-165.6-110.9000113.6V251 Y253 I257 V260 H261 L265 P272 L277 V279V251-Y255 PolarHBondContact O-N 2.96Å; V251-Y255 VanDerWaalsContact O-N 3.11Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 3.37Å; Y255-I257 VanDerWaalsContact C-N 3.25Å; Y255-I257 PolarHBondContact O-N 2.92Å; Y255-V260 HydrophobicContact CD2-CG1 4.19Å; Y255-H261 HydrophobicContact CE1-CB 4.45Å; Y255-H261 HydrophobicContact CE2-CB 4.06Å; Y255-H261 PolarHBondContact O-ND1 3.38Å; Y255-L265 HydrophobicContact CE2-CB 3.92Å; Y255-L265 PolarHBondContact OH-O 3.08Å; Y255-P272 HydrophobicContact CE2-CB 4.26Å; Y255-L277 HydrophobicContact CD1-CB 3.82Å; Y255-L277 HydrophobicContact CD2-CB 4.27Å; Y255-L277 HydrophobicContact CD2-CD1 4.24Å; Y255-L277 HydrophobicContact CE1-CB 3.92Å; Y255-L277 HydrophobicContact CE2-CB 4.39Å; Y255-L277 HydrophobicContact CG-CB 4.01Å; Y255-V279 HydrophobicContact CD1-CG2 4.42Å; Y255-V279 HydrophobicContact CE1-CG2 3.73Å
256Q83.4Confident81.6Confident14 Ų1443.7 Ų43.77%0.06523%0.229CC..THydrogen-bonded Turntrans-76-9.8174.7-50-48.6-45.200113.5P28 L252 Y253 T254 T278P28-Q256 HydrophobicContact CB-CB 4.35Å; L252-Q256 WeakPolarHBondContact O-CG 3.35Å; L252-Q256 PolarHBondContact O-NE2 2.94Å; Y253-Q256 WeakPolarHBondContact O-CB 3.41Å; Y253-Q256 PolarHBondContact O-N 3.04Å; Y253-Q256 VanDerWaalsContact O-N 3.11Å; T254-Q256 PolarHBondContact O-N 2.72Å; Q256-T278 PolarHBondContact NE2-O 3.29Å
257I81.1Confident80.6Confident0 Ų047.1 Ų47.10%025%0.248CC..SBendtrans-72.6128.3177.9-60.2175.4000108.1F30 I33 T254 Y255 I259 V260F30-I257 HydrophobicContact CD1-CD1 4.48Å; F30-I257 HydrophobicContact CE1-CD1 4.48Å; F30-I257 HydrophobicContact CE2-CG2 4.34Å; I33-I257 HydrophobicContact CD1-CD1 3.89Å; I33-I257 HydrophobicContact CG1-CD1 4.34Å; T254-I257 HydrophobicContact CG2-CD1 4.23Å; T254-I257 WeakPolarHBondContact O-CB 3.43Å; T254-I257 PolarHBondContact O-N 3.29Å; T254-I257 VanDerWaalsContact O-N 3.1Å; Y255-I257 VanDerWaalsContact C-N 3.25Å; Y255-I257 PolarHBondContact O-N 2.92Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 4.1Å; I257-I259 PolarHBondContact O-N 3.23Å; I257-I259 VanDerWaalsContact O-N 3.11Å; I257-V260 HydrophobicContact CB-CG2 4.02Å; I257-V260 HydrophobicContact CG2-CG2 4.43Å; I257-V260 WeakPolarHBondContact O-CB 3.08Å; I257-V260 PolarHBondContact O-N 3Å
258P73.8Confident79.5Confident16 Ų1645.8 Ų45.810%0.10425%0.254CS..Hα-helixtrans-53.8-39.8-172.4-30.536.3000114.4V260 H262 S283P258-V260 PolarHBondContact O-N 3.39Å; P258-H262 WeakPolarHBondContact O-CB 3.38Å; P258-H262 PolarHBondContact O-N 3.45Å; P258-H262 VanDerWaalsContact O-N 3.11Å; P258-S283 VanDerWaalsContact CG-OG 3.27Å; P258-S283 WeakPolarHBondContact CG-OG 3.06Å
259I77.1Confident78.7Confident42 Ų4247.1 Ų47.122%0.21527%0.265CS..Hα-helixtrans-65-29.6-179.9-144.8161.1000112F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 4.02Å; F30-I259 HydrophobicContact CZ-CG2 4.19Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 4.1Å; I257-I259 PolarHBondContact O-N 3.23Å; I257-I259 VanDerWaalsContact O-N 3.11Å; I259-S263 PolarHBondContact O-N 3.39Å; I259-S263 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 3.48Å; I259-W264 PolarHBondContact O-N 3.16Å
260V78.2Confident78.1Confident12 Ų1251 Ų517%0.07328%0.282CS..Iπ-helixtrans-74.6-48.4-175.7179.30000110.9T254 Y255 I257 P258 W264 L265T254-V260 WeakPolarHBondContact O-CB 3.35Å; T254-V260 WeakPolarHBondContact O-CG2 3.48Å; Y255-V260 HydrophobicContact CD2-CG1 4.19Å; I257-V260 HydrophobicContact CB-CG2 4.02Å; I257-V260 HydrophobicContact CG2-CG2 4.43Å; I257-V260 WeakPolarHBondContact O-CB 3.08Å; I257-V260 PolarHBondContact O-N 3Å; P258-V260 PolarHBondContact O-N 3.39Å; V260-W264 HydrophobicContact CG2-CE3 4.17Å; V260-W264 CarbonylContact O-C 3.58Å; V260-W264 WeakPolarHBondContact O-CB 3.4Å; V260-W264 PolarHBondContact O-N 3.33Å; V260-L265 PolarHBondContact O-N 2.76Å
261H78.6Confident77.8Confident11 Ų1153 Ų535%0.05129%0.292CS..Iπ-helixtrans-82-22.9-179.665.9-110.8000114.2Y255 P266 V279 D282Y255-H261 HydrophobicContact CE1-CB 4.45Å; Y255-H261 HydrophobicContact CE2-CB 4.06Å; Y255-H261 PolarHBondContact O-ND1 3.38Å; H261-P266 WeakPolarHBondContact O-CA 3.09Å; H261-V279 HydrophobicContact CB-CG2 3.9Å; H261-D282 IonicContact NE2-OD1 2.79Å
262H72.8Confident77.2Confident126 Ų12650.1 Ų50.158%0.58328%0.275SS*.Iπ-helixtrans-85.8-35.8175.6-105.1-70.1000114.3P258P258-H262 WeakPolarHBondContact O-CB 3.38Å; P258-H262 PolarHBondContact O-N 3.45Å; P258-H262 VanDerWaalsContact O-N 3.11Å
263S75.2Confident76.7Confident78 Ų7852.9 Ų52.955%0.54529%0.285SS..Iπ-helixtrans-123.9-16.3-172.873.70000116.3I259I259-S263 PolarHBondContact O-N 3.39Å; I259-S263 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 3.48Å
264W80.5Confident76.5Confident172 Ų17253.9 Ų53.965%0.65229%0.291SS*.Iπ-helixtrans-104.1-41.7177.7-64.46.2000113.3I259 V260I259-W264 PolarHBondContact O-N 3.16Å; V260-W264 HydrophobicContact CG2-CE3 4.17Å; V260-W264 CarbonylContact O-C 3.58Å; V260-W264 WeakPolarHBondContact O-CB 3.4Å; V260-W264 PolarHBondContact O-N 3.33Å
265L74.9Confident76.3Confident54 Ų5455.9 Ų55.928%0.28330%0.296SS..SBendtrans-141.682.2-174.1-82.4157.6000111.5Y255 V260 L271Y255-L265 HydrophobicContact CE2-CB 3.92Å; Y255-L265 PolarHBondContact OH-O 3.08Å; V260-L265 PolarHBondContact O-N 2.76Å; L265-L271 HydrophobicContact CD2-CB 4.01Å; L265-L271 HydrophobicContact CD2-CD1 4.2Å
266P72.5Confident75.7Confident70 Ų7055.9 Ų55.946%0.45530%0.298SS..  trans-59.2142.1-176.9-24.134.5000113.7H261 G268 S269 P272H261-P266 WeakPolarHBondContact O-CA 3.09Å; P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 3.16Å; P266-G268 VanDerWaalsContact O-N 3.16Å; P266-S269 WeakPolarHBondContact O-CB 3.41Å; P266-S269 PolarHBondContact O-N 3.5Å; P266-S269 PolarHBondContact O-OG 3.03Å; P266-P272 WeakPolarHBondContact O-CG 3.3Å
267T64.8Low75.4Confident93 Ų9356.2 Ų56.257%0.57130%0.3SS*.THydrogen-bonded Turntrans-55.2-32.7-176.650.30000114.8V279T267-V279 HydrophobicContact CG2-CG2 3.77Å
268G65.1Low75Confident55 Ų5558.1 Ų58.157%0.56731%0.312SS*.THydrogen-bonded Turntrans-78.5-10.1177.500000115.5P266 R273P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 3.16Å; P266-G268 VanDerWaalsContact O-N 3.16Å; G268-R273 PolarHBondContact O-NH2 3.22Å
269S72.1Confident75Confident38 Ų3859 Ų5927%0.26632%0.317SS..SBendtrans-77.2154.4-173.465.30000113.5P266 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.41Å; P266-S269 PolarHBondContact O-N 3.5Å; P266-S269 PolarHBondContact O-OG 3.03Å; S269-L271 PolarHBondContact O-N 3.34Å; S269-P272 VanDerWaalsContact O-CD 3.24Å; S269-P272 WeakPolarHBondContact O-CD 3.29Å; S269-P272 WeakPolarHBondContact O-CG 3.38Å; S269-P272 WeakPolarHBondContact OG-CD 3.49Å; S269-P272 WeakPolarHBondContact OG-CG 3.37Å
270F76.6Confident74.7Confident102 Ų10258.5 Ų58.545%0.44731%0.314SS..Hα-helixtrans-60.9-39.1-177.4172.2-108000113.5R273 L274F270-R273 PolarHBondContact O-N 3.48Å; F270-L274 HydrophobicContact CE1-CD2 3.81Å; F270-L274 HydrophobicContact CZ-CB 4.39Å; F270-L274 HydrophobicContact CZ-CD1 4.21Å; F270-L274 HydrophobicContact CZ-CD2 3.94Å; F270-L274 HydrophobicContact CZ-CG 4.41Å; F270-L274 WeakPolarHBondContact O-CB 3.33Å; F270-L274 PolarHBondContact O-N 3.14Å
271L79.1Confident74.3Confident90 Ų9059.1 Ų59.147%0.47132%0.317SS..Hα-helixtrans-56.5-55.8-178.2-85.8164.3000113.9L265 S269 R273 L274 F275L265-L271 HydrophobicContact CD2-CB 4.01Å; L265-L271 HydrophobicContact CD2-CD1 4.2Å; S269-L271 PolarHBondContact O-N 3.34Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 2.99Å; L271-L274 PolarHBondContact O-N 3.02Å; L271-F275 HydrophobicContact CD2-CD2 4.08Å; L271-F275 HydrophobicContact CD2-CE2 3.74Å; L271-F275 WeakPolarHBondContact O-CD2 3.28Å; L271-F275 PolarHBondContact O-N 3.47Å
272P74.5Confident73.6Confident2 Ų259.9 Ų59.91%0.01332%0.321CS..Hα-helixtrans-63.5-35.4178.520.7-30.3000113.2Y255 P266 S269 G276 L277Y255-P272 HydrophobicContact CE2-CB 4.26Å; P266-P272 WeakPolarHBondContact O-CG 3.3Å; S269-P272 VanDerWaalsContact O-CD 3.24Å; S269-P272 WeakPolarHBondContact O-CD 3.29Å; S269-P272 WeakPolarHBondContact O-CG 3.38Å; S269-P272 WeakPolarHBondContact OG-CD 3.49Å; S269-P272 WeakPolarHBondContact OG-CG 3.37Å; P272-G276 CarbonylContact O-C 3.57Å; P272-G276 PolarHBondContact O-N 2.92Å; P272-L277 HydrophobicContact CB-CB 3.94Å; P272-L277 PolarHBondContact O-N 3.09Å
273R73.6Confident73.2Confident70 Ų7054.3 Ų54.326%0.26430%0.296SS..Hα-helixtrans-63.1-49.9173.7-75.1-172.9-81.5122.6-2.3111.8G268 F270 L271 F275 G276 E496G268-R273 PolarHBondContact O-NH2 3.22Å; F270-R273 PolarHBondContact O-N 3.48Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 2.99Å; R273-F275 PolarHBondContact O-N 2.85Å; R273-G276 PolarHBondContact O-N 3.42Å; R273-G276 VanDerWaalsContact O-N 3.08Å; R273-E496 IonicContact CZ-OE1 3.31Å; R273-E496 VanDerWaalsContact NH1-CD 3.26Å; R273-E496 IonicContact NH1-OE1 2.73Å; R273-E496 PolarHBondContact NH1-OE1 3.12Å; R273-E496 IonicContact NH1-OE2 2.74Å; R273-E496 PolarHBondContact NH1-OE2 3.06Å; R273-E496 VanDerWaalsContact NH1-OE2 3.09Å; R273-E496 IonicContact NH2-OE1 3Å; R273-E496 PolarHBondContact NH2-OE1 3.29Å
274L81.3Confident72.5Confident39 Ų3953 Ų5320%0.20429%0.287CS..Hα-helixtrans-58.7-44.6177.3-176.370.3000113.2L207 F270 L271 G276 M491L207-L274 HydrophobicContact CB-CG 4.26Å; L207-L274 VanDerWaalsContact CB-O 3.24Å; L207-L274 WeakPolarHBondContact CB-O 3.23Å; L207-L274 HydrophobicContact CD2-CD2 3.98Å; L207-L274 HydrophobicContact CD2-CG 4.01Å; L207-L274 PolarHBondContact N-O 2.93Å; F270-L274 HydrophobicContact CE1-CD2 3.81Å; F270-L274 HydrophobicContact CZ-CB 4.39Å; F270-L274 HydrophobicContact CZ-CD1 4.21Å; F270-L274 HydrophobicContact CZ-CD2 3.94Å; F270-L274 HydrophobicContact CZ-CG 4.41Å; F270-L274 WeakPolarHBondContact O-CB 3.33Å; F270-L274 PolarHBondContact O-N 3.14Å; L271-L274 PolarHBondContact O-N 3.02Å; L274-G276 VanDerWaalsContact C-N 3.28Å; L274-G276 PolarHBondContact O-N 3.4Å; L274-M491 HydrophobicContact CD1-CE 4.42Å
275F81.3Confident71.8Confident85 Ų8547.7 Ų47.737%0.37328%0.275SS..Hα-helixtrans-80.2-3.4178.2-78.2-72.2000114L207 S208 L271 R273 L277L207-F275 HydrophobicContact CD2-CD1 4.37Å; L207-F275 HydrophobicContact CD2-CE1 3.93Å; L207-F275 HydrophobicContact CD2-CZ 4.17Å; S208-F275 PolarHBondContact OG-O 2.64Å; L271-F275 HydrophobicContact CD2-CD2 4.08Å; L271-F275 HydrophobicContact CD2-CE2 3.74Å; L271-F275 WeakPolarHBondContact O-CD2 3.28Å; L271-F275 PolarHBondContact O-N 3.47Å; R273-F275 PolarHBondContact O-N 2.85Å; F275-L277 VanDerWaalsContact C-N 3.27Å; F275-L277 HydrophobicContact CB-CD1 4.09Å; F275-L277 HydrophobicContact CB-CG 3.89Å; F275-L277 PolarHBondContact O-N 3.36Å
276G73.8Confident71.3Confident5 Ų549.8 Ų49.85%0.05229%0.292CS..THydrogen-bonded Turntrans7019.2-17900000114.7K204 P272 R273 L274 T278K204-G276 WeakPolarHBondContact CE-O 3.31Å; K204-G276 PolarHBondContact NZ-O 3.41Å; P272-G276 CarbonylContact O-C 3.57Å; P272-G276 PolarHBondContact O-N 2.92Å; R273-G276 PolarHBondContact O-N 3.42Å; R273-G276 VanDerWaalsContact O-N 3.08Å; L274-G276 VanDerWaalsContact C-N 3.28Å; L274-G276 PolarHBondContact O-N 3.4Å; G276-T278 PolarHBondContact O-N 2.93Å
277L76.3Confident70.9Confident20 Ų2050.5 Ų50.511%0.10529%0.29CS..  trans-75.8114.3179.6-58.7175.4000109.6V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD1 4.49Å; V251-L277 HydrophobicContact CG1-CD2 3.83Å; L252-L277 HydrophobicContact CD2-CD2 4.22Å; Y255-L277 HydrophobicContact CD1-CB 3.82Å; Y255-L277 HydrophobicContact CD2-CB 4.27Å; Y255-L277 HydrophobicContact CD2-CD1 4.24Å; Y255-L277 HydrophobicContact CE1-CB 3.92Å; Y255-L277 HydrophobicContact CE2-CB 4.39Å; Y255-L277 HydrophobicContact CG-CB 4.01Å; P272-L277 HydrophobicContact CB-CB 3.94Å; P272-L277 PolarHBondContact O-N 3.09Å; F275-L277 VanDerWaalsContact C-N 3.27Å; F275-L277 HydrophobicContact CB-CD1 4.09Å; F275-L277 HydrophobicContact CB-CG 3.89Å; F275-L277 PolarHBondContact O-N 3.36Å
278T73.9Confident70.9Confident41 Ų4147.6 Ų47.625%0.25227%0.268SS..  trans-125.4139.9178.641.20000111.4K204 Q256 G276 L309K204-T278 PolarHBondContact NZ-OG1 2.89Å; Q256-T278 PolarHBondContact NE2-O 3.29Å; G276-T278 PolarHBondContact O-N 2.93Å; T278-L309 HydrophobicContact CG2-CD2 3.93Å
279V73.1Confident71Confident35 Ų3548.1 Ų48.121%0.21225%0.253CS..  trans-70.5130.1173.1-178.70000108.3Y255 H261 T267 M281Y255-V279 HydrophobicContact CD1-CG2 4.42Å; Y255-V279 HydrophobicContact CE1-CG2 3.73Å; H261-V279 HydrophobicContact CB-CG2 3.9Å; T267-V279 HydrophobicContact CG2-CG2 3.77Å; V279-M281 VanDerWaalsContact CG1-O 3.29Å; V279-M281 WeakPolarHBondContact CG1-O 3.29Å
280L70.8Confident70.6Confident31 Ų3149.8 Ų49.816%0.16226%0.256CS..  trans-109.6-18.2177.7-69.8158.9000111.8Y310 P313L280-Y310 HydrophobicContact CD2-CD1 3.67Å; L280-Y310 HydrophobicContact CD2-CE1 4.05Å; L280-Y310 HydrophobicContact CD2-CG 4.39Å; L280-P313 HydrophobicContact CD1-CG 4.04Å
281M68.6Low69.9Low25 Ų2547.7 Ų47.712%0.12325%0.246CC..  trans-147129.9-175.8-52175.887.200108.9P28 V279 F291P28-M281 HydrophobicContact CG-SD 4.28Å; V279-M281 VanDerWaalsContact CG1-O 3.29Å; V279-M281 WeakPolarHBondContact CG1-O 3.29Å; M281-F291 HydrophobicContact CE-CD1 4.12Å; M281-F291 HydrophobicContact CE-CE1 3.28Å; M281-F291 HydrophobicContact CE-CE2 4.13Å; M281-F291 HydrophobicContact CE-CZ 3.28Å
282D64.9Low69Low26 Ų2646 Ų4614%0.13924%0.24CC..  trans-113.9160.1170.3-172.117.5000110.4H261 S284 V294H261-D282 IonicContact NE2-OD1 2.79Å; D282-S284 PolarHBondContact OD1-N 2.91Å; D282-S284 WeakPolarHBondContact OD2-CB 3.16Å; D282-S284 PolarHBondContact OD2-OG 2.82Å; D282-V294 HydrophobicContact CB-CB 3.91Å; D282-V294 HydrophobicContact CB-CG1 4.08Å; D282-V294 HydrophobicContact CB-CG2 3.63Å
283S63.9Low68.3Low9 Ų952 Ų526%0.06327%0.267CS..  trans-145.335.7175.953.90000111.8R104 P258R104-S283 PolarHBondContact NH1-O 2.94Å; R104-S283 PolarHBondContact NH2-O 3.43Å; P258-S283 VanDerWaalsContact CG-OG 3.27Å; P258-S283 WeakPolarHBondContact CG-OG 3.06Å
284S61.4Low67.4Low51 Ų5150.8 Ų50.836%0.35727%0.267SS..  trans-57.5151.6175.544.70000112.8D282 E287D282-S284 PolarHBondContact OD1-N 2.91Å; D282-S284 WeakPolarHBondContact OD2-CB 3.16Å; D282-S284 PolarHBondContact OD2-OG 2.82Å; S284-E287 PolarHBondContact O-N 2.68Å
285C65.9Low65.9Low60 Ų6051.8 Ų51.841%0.40528%0.281SS..SBendtrans-74.6143.8169.1-83.10000109.2C95C95-C285 HydrophobicContact CB-CB 3.84Å; C95-C285 WeakPolarHBondContact CB-SG 3.48Å; C95-C285 WeakPolarHBondContact SG-CB 3.39Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 2.99Å
286P62.9Low64.2Low98 Ų9852.9 Ų52.964%0.63630%0.297SS*.SBendcis-86.4-20.315.831.4-34.3000115.8W288 W289P286-W288 VanDerWaalsContact C-N 3.33Å; P286-W288 PolarHBondContact O-N 3.37Å; P286-W288 VanDerWaalsContact O-N 3.12Å; P286-W289 WeakPolarHBondContact O-CH2 3.33Å; P286-W289 WeakPolarHBondContact O-CZ3 3.23Å
287E65.2Low63Low86 Ų8658.9 Ų58.940%0.40233%0.327SS..  trans-91.642.7-164.2-51.4-155.7121.800114.7S284 W289 K290S284-E287 PolarHBondContact O-N 2.68Å; E287-W289 PolarHBondContact O-N 2.68Å; E287-K290 HydrophobicContact CB-CB 4.43Å; E287-K290 HydrophobicContact CB-CD 4.2Å; E287-K290 HydrophobicContact CB-CG 4.18Å; E287-K290 VanDerWaalsContact CD-CE 3.42Å; E287-K290 PolarHBondContact O-N 3.12Å; E287-K290 WeakPolarHBondContact OE1-CE 3.3Å; E287-K290 IonicContact OE1-NZ 3.9Å; E287-K290 PolarHBondContact OE1-NZ 3.41Å; E287-K290 VanDerWaalsContact OE2-CD 3.32Å; E287-K290 WeakPolarHBondContact OE2-CD 3.49Å; E287-K290 VanDerWaalsContact OE2-CE 3.28Å; E287-K290 WeakPolarHBondContact OE2-CE 3.49Å; E287-K290 IonicContact OE2-NZ 3.14Å; E287-K290 PolarHBondContact OE2-NZ 3.4Å
288W65.5Low61.7Low31 Ų3163.4 Ų63.412%0.11735%0.347CS..THydrogen-bonded Turntrans-60.7-13.1-171.762.3-92.7000115.9V109 R110 H112 P286V109-W288 HydrophobicContact CG1-CE3 4.35Å; V109-W288 HydrophobicContact CG1-CZ3 3.94Å; R110-W288 HydrophobicContact CB-CH2 4.18Å; R110-W288 VanDerWaalsContact O-CH2 3.32Å; R110-W288 WeakPolarHBondContact O-CH2 3.44Å; R110-W288 VanDerWaalsContact O-CZ3 3.31Å; R110-W288 WeakPolarHBondContact O-CZ3 3.47Å; H112-W288 HydrophobicContact CB-CH2 4.3Å; H112-W288 AromaticContact CD2-CZ2 4Å; P286-W288 VanDerWaalsContact C-N 3.33Å; P286-W288 PolarHBondContact O-N 3.37Å; P286-W288 VanDerWaalsContact O-N 3.12Å
289W67.2Low60.4Low67 Ų6767.4 Ų67.425%0.25437%0.366SS..THydrogen-bonded Turntrans-92.2-18.4176.661.284.1000114.1H112 P286 E287H112-W289 HydrophobicContact CB-CB 4.42Å; P286-W289 WeakPolarHBondContact O-CH2 3.33Å; P286-W289 WeakPolarHBondContact O-CZ3 3.23Å; E287-W289 PolarHBondContact O-N 2.68Å
290K63.6Low59.4Low73 Ų7372.6 Ų72.632%0.31739%0.393SS..SBendtrans-72.6166.8179.8-71.5-163.6-173.9164.80111.8R121 E287 P292R121-K290 PolarHBondContact NH1-O 3.41Å; R121-K290 VanDerWaalsContact NH1-O 3.09Å; E287-K290 HydrophobicContact CB-CB 4.43Å; E287-K290 HydrophobicContact CB-CD 4.2Å; E287-K290 HydrophobicContact CB-CG 4.18Å; E287-K290 VanDerWaalsContact CD-CE 3.42Å; E287-K290 PolarHBondContact O-N 3.12Å; E287-K290 WeakPolarHBondContact OE1-CE 3.3Å; E287-K290 IonicContact OE1-NZ 3.9Å; E287-K290 PolarHBondContact OE1-NZ 3.41Å; E287-K290 VanDerWaalsContact OE2-CD 3.32Å; E287-K290 WeakPolarHBondContact OE2-CD 3.49Å; E287-K290 VanDerWaalsContact OE2-CE 3.28Å; E287-K290 WeakPolarHBondContact OE2-CE 3.49Å; E287-K290 IonicContact OE2-NZ 3.14Å; E287-K290 PolarHBondContact OE2-NZ 3.4Å; K290-P292 VanDerWaalsContact O-CD 3.28Å; K290-P292 WeakPolarHBondContact O-CD 3.41Å
291F61Low58.5Low58 Ų5877.1 Ų77.125%0.25442%0.417SS..  trans-113.952178.6-142-88.9000113.7E118 R121 M281 F293E118-F291 PolarHBondContact OE1-N 2.8Å; R121-F291 HydrophobicContact CG-CE2 4.38Å; M281-F291 HydrophobicContact CE-CD1 4.12Å; M281-F291 HydrophobicContact CE-CE1 3.28Å; M281-F291 HydrophobicContact CE-CE2 4.13Å; M281-F291 HydrophobicContact CE-CZ 3.28Å; F291-F293 HydrophobicContact CD1-CE2 4.26Å; F291-F293 HydrophobicContact CD1-CZ 4.43Å; F291-F293 HydrophobicContact CE1-CE2 4.49Å; F291-F293 HydrophobicContact CE1-CZ 4.23Å; F291-F293 PolarHBondContact O-N 3.13Å
292P59.4Low57.8Low53 Ų5378.4 Ų78.434%0.34443%0.425SS..  trans-74.9122-174.833.1-35.6000112K290 V294K290-P292 VanDerWaalsContact O-CD 3.28Å; K290-P292 WeakPolarHBondContact O-CD 3.41Å; P292-V294 HydrophobicContact CB-CG2 3.79Å; P292-V294 HydrophobicContact CG-CG2 3.96Å; P292-V294 PolarHBondContact O-N 3.46Å
293F59.8Low57.2Low129 Ų12982.4 Ų82.457%0.56645%0.446SS*.  trans-75.777.4160.6-67.5-81.8000108.8F291F291-F293 HydrophobicContact CD1-CE2 4.26Å; F291-F293 HydrophobicContact CD1-CZ 4.43Å; F291-F293 HydrophobicContact CE1-CE2 4.49Å; F291-F293 HydrophobicContact CE1-CZ 4.23Å; F291-F293 PolarHBondContact O-N 3.13Å
294V54.7Low56.9Low44 Ų4488.1 Ų88.127%0.26747%0.474SS..SBendtrans-60.7137.8179.9167.20000110.6D282 P292D282-V294 HydrophobicContact CB-CB 3.91Å; D282-V294 HydrophobicContact CB-CG1 4.08Å; D282-V294 HydrophobicContact CB-CG2 3.63Å; P292-V294 HydrophobicContact CB-CG2 3.79Å; P292-V294 HydrophobicContact CG-CG2 3.96Å; P292-V294 PolarHBondContact O-N 3.46Å
295A49.6Very low56.7Low60 Ų6090 Ų9050%0.49648%0.478SS..  -105.3151.750.600000117.1D297 F298A295-D297 PolarHBondContact O-N 3.01Å; A295-F298 HydrophobicContact CB-CD2 4.44Å
296P46.8Very low56.7Low109 Ų10990.1 Ų90.171%0.70847%0.472SS*.SBendtrans-89.87.9-169.337.8-34.9000115.5
297D47.8Very low57.3Low130 Ų13090.6 Ų90.670%0.69546%0.461SS*.SBendtrans-113.99.7-163.7-55.9-45.2000115.6A295A295-D297 PolarHBondContact O-N 3.01Å
298F48.6Very low57.7Low116 Ų11686.5 Ų86.551%0.50944%0.442SS..  trans-130.8145.5-166.4-68.1-78.3000114.7A295 D302 K306A295-F298 HydrophobicContact CB-CD2 4.44Å; F298-D302 HydrophobicContact CB-CB 4.03Å; F298-D302 HydrophobicContact CD1-CB 4.24Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.48Å; F298-D302 HydrophobicContact CG-CB 4.47Å; F298-K306 VanDerWaalsContact CD1-NZ 3.28Å
299N47.5Very low58.1Low124 Ų12487 Ų8766%0.66345%0.447SS*.  trans-75.1161.8176.8-85.9-13.8000112D301 D302N299-D301 PolarHBondContact O-N 2.87Å; N299-D301 VanDerWaalsContact O-N 3.15Å; N299-D302 WeakPolarHBondContact O-CB 3.49Å; N299-D302 PolarHBondContact O-N 3.26Å
300D51.4Low58.5Low144 Ų14487.9 Ų87.977%0.7745%0.451SS*.Hα-helixtrans-57.3-29.6178.9-75.1-43.4000113.8D302 L303D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 3.44Å; D300-L303 WeakPolarHBondContact O-CB 3.34Å; D300-L303 PolarHBondContact O-N 3.48Å
301D51.9Low59.3Low126 Ų12685.2 Ų85.267%0.67444%0.442SS*.Hα-helixtrans-64.6-32.6176.5-64.4-41.2000113N299 L303 I304N299-D301 PolarHBondContact O-N 2.87Å; N299-D301 VanDerWaalsContact O-N 3.15Å; D301-L303 PolarHBondContact O-N 2.81Å; D301-I304 PolarHBondContact O-N 3.02Å
302D54.2Low60.4Low52 Ų5282.6 Ų82.628%0.27843%0.431SS..Hα-helixtrans-71.3-20.2177.7-78.2-60.8000112.7F298 N299 D300 I304 M305 K306F298-D302 HydrophobicContact CB-CB 4.03Å; F298-D302 HydrophobicContact CD1-CB 4.24Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.48Å; F298-D302 HydrophobicContact CG-CB 4.47Å; N299-D302 WeakPolarHBondContact O-CB 3.49Å; N299-D302 PolarHBondContact O-N 3.26Å; D300-D302 VanDerWaalsContact C-N 3.32Å; D300-D302 PolarHBondContact O-N 3.44Å; D302-I304 PolarHBondContact O-N 3.02Å; D302-M305 PolarHBondContact O-N 2.91Å; D302-K306 PolarHBondContact O-N 2.98Å
303L53.1Low61.4Low111 Ų11181.2 Ų81.258%0.58142%0.422SS*.Hα-helixtrans-62.8-36.2179.6-148.785.9000110.9D300 D301D300-L303 WeakPolarHBondContact O-CB 3.34Å; D300-L303 PolarHBondContact O-N 3.48Å; D301-L303 PolarHBondContact O-N 2.81Å
304I57.5Low62.6Low129 Ų12980.2 Ų80.266%0.66242%0.421SS*.Hα-helixtrans-69.8-34.1174.7-58.2177.1000110.6D301 D302 K306D301-I304 PolarHBondContact O-N 3.02Å; D302-I304 PolarHBondContact O-N 3.02Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 3.38Å
305M57.2Low64.1Low90 Ų9078.7 Ų78.744%0.44341%0.412SS..Hα-helixtrans-77.7-10.5-179-60.8-142.9-171.300114.5D302 L513 V515D302-M305 PolarHBondContact O-N 2.91Å; M305-L513 HydrophobicContact CB-CD2 4.23Å; M305-L513 HydrophobicContact SD-CD2 3.76Å; M305-V515 VanDerWaalsContact O-CG2 3.23Å; M305-V515 WeakPolarHBondContact O-CG2 3.46Å
306K65.4Low65.8Low62 Ų6275.9 Ų75.927%0.2739%0.389SS..THydrogen-bonded Turntrans-118.57.6-176.1-72.7172.3-175.5161.60115.2F298 D302 I304 P308 L309 P514F298-K306 VanDerWaalsContact CD1-NZ 3.28Å; D302-K306 PolarHBondContact O-N 2.98Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 3.38Å; K306-P308 VanDerWaalsContact C-N 3.3Å; K306-P308 WeakPolarHBondContact O-CD 3.03Å; K306-P308 VanDerWaalsContact O-N 3.07Å; K306-L309 HydrophobicContact CB-CD1 4.12Å; K306-L309 HydrophobicContact CG-CD1 4.42Å; K306-L309 VanDerWaalsContact O-CD1 3.32Å; K306-L309 WeakPolarHBondContact O-CD1 3.21Å; K306-L309 PolarHBondContact O-N 3Å; K306-L309 VanDerWaalsContact O-N 3.15Å; K306-P514 HydrophobicContact CG-CG 4.42Å
307W74.9Confident67.7Low108 Ų10872.3 Ų72.341%0.40936%0.363SS..Hα-helixtrans-48.5-33.1177.380.9-99.9000116.7L309 Y310 A311W307-L309 PolarHBondContact O-N 2.79Å; W307-Y310 PolarHBondContact O-N 3.01Å; W307-A311 HydrophobicContact CE3-CB 3.77Å; W307-A311 HydrophobicContact CZ3-CB 3.68Å; W307-A311 PolarHBondContact O-N 3.36Å
308P75Confident69.4Low1 Ų168.9 Ų68.91%0.00635%0.347CS..Hα-helixtrans-64.6-22.9-177.9-21.133.4000113.8V203 K306 A311 N312 V515 V518V203-P308 VanDerWaalsContact O-CB 3.22Å; V203-P308 WeakPolarHBondContact O-CB 3.36Å; K306-P308 VanDerWaalsContact C-N 3.3Å; K306-P308 WeakPolarHBondContact O-CD 3.03Å; K306-P308 VanDerWaalsContact O-N 3.07Å; P308-A311 PolarHBondContact O-N 2.82Å; P308-N312 PolarHBondContact O-N 3.16Å; P308-V515 HydrophobicContact CG-CG2 3.76Å; P308-V518 HydrophobicContact CB-CG2 4.23Å; P308-V518 HydrophobicContact CG-CG2 4.19Å
309L73.6Confident71.3Confident42 Ų4263.4 Ų63.422%0.2232%0.323CS..Hα-helixtrans-65.8-42.5175.1-7592.7000112.2T278 K306 W307 P514T278-L309 HydrophobicContact CG2-CD2 3.93Å; K306-L309 HydrophobicContact CB-CD1 4.12Å; K306-L309 HydrophobicContact CG-CD1 4.42Å; K306-L309 VanDerWaalsContact O-CD1 3.32Å; K306-L309 WeakPolarHBondContact O-CD1 3.21Å; K306-L309 PolarHBondContact O-N 3Å; K306-L309 VanDerWaalsContact O-N 3.15Å; W307-L309 PolarHBondContact O-N 2.79Å; L309-P514 HydrophobicContact CD1-CB 4.25Å; L309-P514 HydrophobicContact CD1-CG 3.89Å
310Y75.5Confident73.2Confident85 Ų8558 Ų5833%0.33329%0.294SS..Hα-helixtrans-73.9-32.4177.5-57.5-81.7000112L280 W307 P313L280-Y310 HydrophobicContact CD2-CD1 3.67Å; L280-Y310 HydrophobicContact CD2-CE1 4.05Å; L280-Y310 HydrophobicContact CD2-CG 4.39Å; W307-Y310 PolarHBondContact O-N 3.01Å; Y310-P313 WeakPolarHBondContact O-CD 3.18Å
311A80Confident74.8Confident16 Ų1654.1 Ų54.113%0.13227%0.269CS..Hα-helixtrans-70.1-35.5179.500000113.5V203 W307 P308 I314 V315V203-A311 HydrophobicContact CG1-CB 4.33Å; W307-A311 HydrophobicContact CE3-CB 3.77Å; W307-A311 HydrophobicContact CZ3-CB 3.68Å; W307-A311 PolarHBondContact O-N 3.36Å; P308-A311 PolarHBondContact O-N 2.82Å; A311-I314 WeakPolarHBondContact O-CB 3.38Å; A311-I314 PolarHBondContact O-N 2.55Å; A311-I314 VanDerWaalsContact O-N 3.07Å; A311-V315 HydrophobicContact CB-CG2 4.48Å; A311-V315 WeakPolarHBondContact O-CG2 3.48Å; A311-V315 PolarHBondContact O-N 3.09Å
312N85.1Confident76.2Confident3 Ų350.9 Ų50.92%0.01625%0.251CS..Hα-helixtrans-48.4-56.2-175.1-171.540.3000114.7V203 K204 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.13Å; K204-N312 HydrophobicContact CB-CB 4.39Å; N209-N312 PolarHBondContact ND2-OD1 3.11Å; P308-N312 PolarHBondContact O-N 3.16Å; N312-I314 VanDerWaalsContact C-N 3.3Å; N312-I314 PolarHBondContact O-N 2.91Å; N312-V315 PolarHBondContact O-N 3.05Å; N312-V316 WeakPolarHBondContact O-CG2 3.2Å; N312-V316 PolarHBondContact O-N 2.64Å
313P80.7Confident77.5Confident25 Ų2548.4 Ų48.416%0.16224%0.238CC..Hα-helixtrans-63.3-31.9179.125.3-35.7000113.6L252 L280 Y310 L317L252-P313 HydrophobicContact CD1-CB 4.44Å; L280-P313 HydrophobicContact CD1-CG 4.04Å; Y310-P313 WeakPolarHBondContact O-CD 3.18Å; P313-L317 WeakPolarHBondContact O-CB 3.46Å; P313-L317 PolarHBondContact O-N 3.24Å; P313-L317 VanDerWaalsContact O-N 3.14Å
314I83.7Confident78.9Confident107 Ų10743.7 Ų43.755%0.54921%0.214SC..Hα-helixtrans-70.1-44.3177.4-58.6172.7000110.2A311 N312 L317 V318A311-I314 WeakPolarHBondContact O-CB 3.38Å; A311-I314 PolarHBondContact O-N 2.55Å; A311-I314 VanDerWaalsContact O-N 3.07Å; N312-I314 VanDerWaalsContact C-N 3.3Å; N312-I314 PolarHBondContact O-N 2.91Å; I314-L317 PolarHBondContact O-N 2.85Å; I314-V318 HydrophobicContact CG2-CG2 4.42Å; I314-V318 WeakPolarHBondContact O-CG2 3.5Å; I314-V318 PolarHBondContact O-N 3.49Å
315V86Confident79.7Confident13 Ų1339.6 Ų39.68%0.07920%0.199CC..Hα-helixtrans-65.4-40.4-179.7170.90000111.3F196 Y199 V200 V203 A311 N312 V318 F319F196-V315 HydrophobicContact CE1-CG1 4.34Å; Y199-V315 HydrophobicContact CD1-CG1 3.85Å; Y199-V315 HydrophobicContact CD1-CG2 4.38Å; Y199-V315 HydrophobicContact CE1-CG1 3.96Å; Y199-V315 HydrophobicContact CE1-CG2 3.65Å; V200-V315 HydrophobicContact CB-CG1 4.19Å; V200-V315 HydrophobicContact CG1-CG1 4.46Å; V200-V315 HydrophobicContact CG2-CG1 3.6Å; V203-V315 HydrophobicContact CG2-CG2 4.47Å; A311-V315 HydrophobicContact CB-CG2 4.48Å; A311-V315 WeakPolarHBondContact O-CG2 3.48Å; A311-V315 PolarHBondContact O-N 3.09Å; N312-V315 PolarHBondContact O-N 3.05Å; V315-V318 PolarHBondContact O-N 3.26Å; V315-F319 VanDerWaalsContact O-CB 3.27Å; V315-F319 WeakPolarHBondContact O-CB 3.27Å; V315-F319 PolarHBondContact O-N 3Å
316V87Confident80.6Confident1 Ų135.8 Ų35.81%0.00618%0.18CC..Hα-helixtrans-63.3-42.4173.21750000111.6V200 H248 F249 N312 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.25Å; H248-V316 HydrophobicContact CB-CG1 4.49Å; F249-V316 HydrophobicContact CB-CG1 4.26Å; N312-V316 WeakPolarHBondContact O-CG2 3.2Å; N312-V316 PolarHBondContact O-N 2.64Å; V316-F319 PolarHBondContact O-N 3.34Å; V316-F320 PolarHBondContact O-N 2.9Å
317L85.6Confident81.3Confident33 Ų3335 Ų3517%0.17318%0.176CC..Hα-helixtrans-63.2-48176.1-171.890.2000111.9L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.03Å; L21-L317 HydrophobicContact CD1-CD2 4.08Å; L21-L317 HydrophobicContact CD2-CD1 4.22Å; F249-L317 HydrophobicContact CD1-CD1 4.45Å; F249-L317 HydrophobicContact CD2-CB 4.22Å; F249-L317 HydrophobicContact CD2-CD1 4.08Å; F249-L317 HydrophobicContact CE1-CD1 4.14Å; F249-L317 HydrophobicContact CE2-CB 4.09Å; F249-L317 HydrophobicContact CE2-CD1 3.73Å; F249-L317 HydrophobicContact CE2-CG 4.46Å; F249-L317 HydrophobicContact CG-CD1 4.43Å; F249-L317 HydrophobicContact CZ-CD1 3.77Å; P313-L317 WeakPolarHBondContact O-CB 3.46Å; P313-L317 PolarHBondContact O-N 3.24Å; P313-L317 VanDerWaalsContact O-N 3.14Å; I314-L317 PolarHBondContact O-N 2.85Å; L317-F319 VanDerWaalsContact C-N 3.3Å; L317-F319 PolarHBondContact O-N 3Å; L317-F320 WeakPolarHBondContact O-CB 3.37Å; L317-F320 PolarHBondContact O-N 3.3Å; L317-Y321 HydrophobicContact CD1-CE2 4.15Å; L317-Y321 HydrophobicContact CD2-CE2 4.36Å; L317-Y321 HydrophobicContact CG-CD2 4.12Å; L317-Y321 HydrophobicContact CG-CE2 4.02Å; L317-Y321 WeakPolarHBondContact O-CD2 3.5Å; L317-Y321 PolarHBondContact O-N 2.95Å
318V83.7Confident81.1Confident59 Ų5933.1 Ų33.136%0.35817%0.171SC..Hα-helixtrans-62.2-39.5178.1171.10000110.8F196 I314 V315 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.34Å; F196-V318 HydrophobicContact CE1-CG1 3.86Å; F196-V318 HydrophobicContact CZ-CB 4.42Å; F196-V318 HydrophobicContact CZ-CG1 3.67Å; I314-V318 HydrophobicContact CG2-CG2 4.42Å; I314-V318 WeakPolarHBondContact O-CG2 3.5Å; I314-V318 PolarHBondContact O-N 3.49Å; V315-V318 PolarHBondContact O-N 3.26Å; V318-Y321 PolarHBondContact O-N 3.41Å; V318-L322 HydrophobicContact CG1-CD1 3.98Å; V318-L322 WeakPolarHBondContact O-CB 3.32Å; V318-L322 PolarHBondContact O-N 3.08Å
319F88.3Confident80.9Confident1 Ų138.6 Ų38.60%0.00420%0.195CC..Hα-helixtrans-62.9-40.5174.3179.8-107.3000112.6F196 T197 V200 Y212 L241 V315 V316 L317 L322 T323F196-F319 HydrophobicContact CD1-CB 4.17Å; F196-F319 HydrophobicContact CD1-CD2 4.08Å; F196-F319 HydrophobicContact CE1-CB 4.33Å; T197-F319 HydrophobicContact CG2-CE2 3.86Å; T197-F319 HydrophobicContact CG2-CZ 3.8Å; V200-F319 HydrophobicContact CG2-CB 3.81Å; V200-F319 HydrophobicContact CG2-CD2 3.97Å; V200-F319 HydrophobicContact CG2-CG 3.87Å; Y212-F319 HydrophobicContact CD1-CE1 4.07Å; Y212-F319 HydrophobicContact CD1-CZ 4.49Å; Y212-F319 HydrophobicContact CE1-CD1 4.24Å; Y212-F319 AromaticContact CE1-CE1 3.83Å; Y212-F319 HydrophobicContact CE1-CE1 3.83Å; L241-F319 HydrophobicContact CB-CE1 4.11Å; L241-F319 HydrophobicContact CB-CZ 4.17Å; L241-F319 HydrophobicContact CD1-CZ 4.23Å; L241-F319 HydrophobicContact CD2-CE1 4.2Å; L241-F319 HydrophobicContact CD2-CZ 4.13Å; L241-F319 HydrophobicContact CG-CZ 4.42Å; V315-F319 VanDerWaalsContact O-CB 3.27Å; V315-F319 WeakPolarHBondContact O-CB 3.27Å; V315-F319 PolarHBondContact O-N 3Å; V316-F319 PolarHBondContact O-N 3.34Å; L317-F319 VanDerWaalsContact C-N 3.3Å; L317-F319 PolarHBondContact O-N 3Å; F319-L322 PolarHBondContact O-N 3.32Å; F319-T323 HydrophobicContact CD1-CG2 4.3Å; F319-T323 HydrophobicContact CD2-CG2 3.98Å; F319-T323 HydrophobicContact CE1-CG2 3.93Å; F319-T323 HydrophobicContact CE2-CG2 3.59Å; F319-T323 HydrophobicContact CG-CG2 4.33Å; F319-T323 HydrophobicContact CZ-CG2 3.57Å; F319-T323 WeakPolarHBondContact O-CB 3.49Å; F319-T323 VanDerWaalsContact O-CG2 3.31Å; F319-T323 WeakPolarHBondContact O-CG2 3.4Å; F319-T323 PolarHBondContact O-N 2.91Å; F319-T323 PolarHBondContact O-OG1 3.19Å
320F88.2Confident80.6Confident10 Ų1037.8 Ų37.84%0.04419%0.191CC..Hα-helixtrans-59.6-50.6172.2172-97000111.7L40 A43 I242 A246 V316 L317 L322 T323 V324L40-F320 HydrophobicContact CB-CZ 4.4Å; L40-F320 HydrophobicContact CD2-CD1 3.87Å; L40-F320 HydrophobicContact CD2-CE1 3.5Å; L40-F320 HydrophobicContact CD2-CE2 4.27Å; L40-F320 HydrophobicContact CD2-CG 4.39Å; L40-F320 HydrophobicContact CD2-CZ 3.73Å; A43-F320 HydrophobicContact CB-CE1 3.74Å; A43-F320 HydrophobicContact CB-CZ 4.27Å; I242-F320 HydrophobicContact CG2-CD2 4.32Å; I242-F320 HydrophobicContact CG2-CE2 3.99Å; A246-F320 HydrophobicContact CB-CD2 4.18Å; A246-F320 HydrophobicContact CB-CE2 3.94Å; V316-F320 PolarHBondContact O-N 2.9Å; L317-F320 WeakPolarHBondContact O-CB 3.37Å; L317-F320 PolarHBondContact O-N 3.3Å; F320-L322 PolarHBondContact O-N 3.22Å; F320-T323 PolarHBondContact O-N 3.12Å; F320-T323 PolarHBondContact O-OG1 2.87Å; F320-V324 HydrophobicContact CD2-CG2 4.22Å; F320-V324 HydrophobicContact CE1-CG2 4.36Å; F320-V324 HydrophobicContact CE2-CG2 3.93Å; F320-V324 HydrophobicContact CZ-CG2 4.02Å; F320-V324 WeakPolarHBondContact O-CB 3.35Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.33Å; F320-V324 PolarHBondContact O-N 2.95Å
321Y83.9Confident80Confident62 Ų6241.3 Ų41.324%0.24320%0.204CC..Hα-helixtrans-63.7-41.1178.7-81.9-79.8000112.8P17 A39 A43 L317 V318 A325P17-Y321 WeakPolarHBondContact CB-OH 3.5Å; A39-Y321 PolarHBondContact O-OH 3.3Å; A43-Y321 HydrophobicContact CB-CD1 4.02Å; A43-Y321 HydrophobicContact CB-CE1 3.61Å; L317-Y321 HydrophobicContact CD1-CE2 4.15Å; L317-Y321 HydrophobicContact CD2-CE2 4.36Å; L317-Y321 HydrophobicContact CG-CD2 4.12Å; L317-Y321 HydrophobicContact CG-CE2 4.02Å; L317-Y321 WeakPolarHBondContact O-CD2 3.5Å; L317-Y321 PolarHBondContact O-N 2.95Å; V318-Y321 PolarHBondContact O-N 3.41Å; Y321-A325 VanDerWaalsContact O-CB 3.31Å; Y321-A325 WeakPolarHBondContact O-CB 3.5Å; Y321-A325 PolarHBondContact O-N 3.49Å
322L80.8Confident78.8Confident59 Ų5946.2 Ų46.231%0.30923%0.228SC..Hα-helixtrans-62.4-51.3175.4-89.8168000111.7L193 F196 V318 F319 F320 V324 A325 Q326L193-L322 HydrophobicContact CD1-CB 4.24Å; F196-L322 HydrophobicContact CD1-CD1 4.26Å; F196-L322 HydrophobicContact CD2-CD1 4.35Å; F196-L322 HydrophobicContact CE1-CD1 4.27Å; F196-L322 HydrophobicContact CE2-CD1 4.37Å; F196-L322 HydrophobicContact CG-CD1 4.28Å; F196-L322 HydrophobicContact CZ-CD1 4.33Å; V318-L322 HydrophobicContact CG1-CD1 3.98Å; V318-L322 WeakPolarHBondContact O-CB 3.32Å; V318-L322 PolarHBondContact O-N 3.08Å; F319-L322 PolarHBondContact O-N 3.32Å; F320-L322 PolarHBondContact O-N 3.22Å; L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 3.33Å; L322-A325 PolarHBondContact O-N 3.41Å; L322-Q326 WeakPolarHBondContact O-CB 3.37Å; L322-Q326 PolarHBondContact O-N 2.88Å
323T83.3Confident76.9Confident0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-62.8-38.6-179.851.10000112L193 I242 F319 F320 Y327L193-T323 HydrophobicContact CD1-CG2 3.85Å; L193-T323 HydrophobicContact CD2-CG2 4.31Å; L193-T323 HydrophobicContact CG-CG2 4.34Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.35Å; F319-T323 HydrophobicContact CD1-CG2 4.3Å; F319-T323 HydrophobicContact CD2-CG2 3.98Å; F319-T323 HydrophobicContact CE1-CG2 3.93Å; F319-T323 HydrophobicContact CE2-CG2 3.59Å; F319-T323 HydrophobicContact CG-CG2 4.33Å; F319-T323 HydrophobicContact CZ-CG2 3.57Å; F319-T323 WeakPolarHBondContact O-CB 3.49Å; F319-T323 VanDerWaalsContact O-CG2 3.31Å; F319-T323 WeakPolarHBondContact O-CG2 3.4Å; F319-T323 PolarHBondContact O-N 2.91Å; F319-T323 PolarHBondContact O-OG1 3.19Å; F320-T323 PolarHBondContact O-N 3.12Å; F320-T323 PolarHBondContact O-OG1 2.87Å; T323-Y327 WeakPolarHBondContact O-CB 3.25Å; T323-Y327 PolarHBondContact O-N 2.99Å
324V81.9Confident75.2Confident12 Ų1250 Ų507%0.07326%0.262CS..Hα-helixtrans-66.2-42.2174.3169.60000112A43 I242 F320 L322 K328A43-V324 HydrophobicContact CB-CG1 4.22Å; A43-V324 VanDerWaalsContact O-CG1 3.31Å; A43-V324 WeakPolarHBondContact O-CG1 3.16Å; I242-V324 HydrophobicContact CD1-CG2 4.19Å; I242-V324 HydrophobicContact CG1-CG2 4.1Å; I242-V324 HydrophobicContact CG2-CG2 3.82Å; F320-V324 HydrophobicContact CD2-CG2 4.22Å; F320-V324 HydrophobicContact CE1-CG2 4.36Å; F320-V324 HydrophobicContact CE2-CG2 3.93Å; F320-V324 HydrophobicContact CZ-CG2 4.02Å; F320-V324 WeakPolarHBondContact O-CB 3.35Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.33Å; F320-V324 PolarHBondContact O-N 2.95Å; L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 3.33Å; V324-K328 WeakPolarHBondContact O-CB 3.18Å; V324-K328 PolarHBondContact O-N 2.94Å
325A75Confident73Confident43 Ų4354.5 Ų54.536%0.35527%0.272SS..Hα-helixtrans-64-45.4175.700000111.8Y321 L322 K328 F329Y321-A325 VanDerWaalsContact O-CB 3.31Å; Y321-A325 WeakPolarHBondContact O-CB 3.5Å; Y321-A325 PolarHBondContact O-N 3.49Å; L322-A325 PolarHBondContact O-N 3.41Å; A325-K328 WeakPolarHBondContact O-CB 3.3Å; A325-K328 PolarHBondContact O-N 3.41Å; A325-F329 WeakPolarHBondContact O-CD2 3.43Å; A325-F329 WeakPolarHBondContact O-CG 3.27Å; A325-F329 PolarHBondContact O-N 3.28Å
326Q75.8Confident70.7Confident10 Ų1062.2 Ų62.25%0.04731%0.307CS..Hα-helixtrans-67-41.2178.9-130.8-85.5-1900111.3T189 N190 L193 L322 K328 F329 T330T189-Q326 PolarHBondContact OG1-NE2 3.41Å; N190-Q326 PolarHBondContact OD1-NE2 3Å; N190-Q326 PolarHBondContact OD1-OE1 3.07Å; L193-Q326 HydrophobicContact CD1-CB 4.37Å; L322-Q326 WeakPolarHBondContact O-CB 3.37Å; L322-Q326 PolarHBondContact O-N 2.88Å; Q326-K328 PolarHBondContact O-N 3.24Å; Q326-F329 PolarHBondContact O-N 3.46Å; Q326-F329 VanDerWaalsContact O-N 3.15Å; Q326-T330 PolarHBondContact O-N 2.86Å; Q326-T330 PolarHBondContact O-OG1 3.45Å
327Y78.7Confident68.1Low46 Ų4669.8 Ų69.818%0.1834%0.337CS..Hα-helixtrans-60.4-40.5170.9177.8-107.7000112.1K239 I242 T323 F329 T330 R331K239-Y327 WeakPolarHBondContact CE-OH 3.32Å; K239-Y327 HydrophobicContact CG-CE2 4.28Å; I242-Y327 HydrophobicContact CD1-CD1 4.39Å; I242-Y327 HydrophobicContact CD1-CG 4.08Å; T323-Y327 WeakPolarHBondContact O-CB 3.25Å; T323-Y327 PolarHBondContact O-N 2.99Å; Y327-F329 VanDerWaalsContact C-N 3.33Å; Y327-F329 PolarHBondContact O-N 2.94Å; Y327-T330 CarbonylContact O-C 3.58Å; Y327-T330 PolarHBondContact O-N 3.34Å; Y327-R331 HydrophobicContact CE1-CB 4.48Å; Y327-R331 WeakPolarHBondContact O-CA 3.24Å; Y327-R331 WeakPolarHBondContact O-CB 3.09Å; Y327-R331 PolarHBondContact O-N 2.99Å
328K72.3Confident65.6Low67 Ų6771.4 Ų71.429%0.29135%0.345SS..Hα-helixtrans-63.8-35.7173.2-83.9178.5174.3173.30113.1A43 V44 L45 V324 A325 Q326A43-K328 PolarHBondContact O-NZ 3.32Å; V44-K328 VanDerWaalsContact O-CE 3.28Å; V44-K328 WeakPolarHBondContact O-CE 3.03Å; V44-K328 PolarHBondContact O-NZ 3.44Å; L45-K328 PolarHBondContact O-NZ 2.88Å; V324-K328 WeakPolarHBondContact O-CB 3.18Å; V324-K328 PolarHBondContact O-N 2.94Å; A325-K328 WeakPolarHBondContact O-CB 3.3Å; A325-K328 PolarHBondContact O-N 3.41Å; Q326-K328 PolarHBondContact O-N 3.24Å
329F69.6Low63.2Low117 Ų11773.1 Ų73.151%0.51335%0.352SS..Hα-helixtrans-70.8-29.4172.6-65.3-39.2000113.1A325 Q326 Y327A325-F329 WeakPolarHBondContact O-CD2 3.43Å; A325-F329 WeakPolarHBondContact O-CG 3.27Å; A325-F329 PolarHBondContact O-N 3.28Å; Q326-F329 PolarHBondContact O-N 3.46Å; Q326-F329 VanDerWaalsContact O-N 3.15Å; Y327-F329 VanDerWaalsContact C-N 3.33Å; Y327-F329 PolarHBondContact O-N 2.94Å
330T67Low60.5Low25 Ų2580.2 Ų80.215%0.15339%0.39CS..Hα-helixtrans-101.5-1.7-179.263.60000115.4N235 K238 Q326 Y327N235-T330 PolarHBondContact ND2-O 3.23Å; N235-T330 PolarHBondContact OD1-OG1 3.45Å; K238-T330 PolarHBondContact NZ-OG1 3.11Å; Q326-T330 PolarHBondContact O-N 2.86Å; Q326-T330 PolarHBondContact O-OG1 3.45Å; Y327-T330 CarbonylContact O-C 3.58Å; Y327-T330 PolarHBondContact O-N 3.34Å
331R63.4Low57.7Low159 Ų15987.8 Ų87.860%0.643%0.431SS*.Hα-helixtrans-75.7-43.1-175.4169.8175.8168.8168-1.1114.1Y327 G333Y327-R331 HydrophobicContact CE1-CB 4.48Å; Y327-R331 WeakPolarHBondContact O-CA 3.24Å; Y327-R331 WeakPolarHBondContact O-CB 3.09Å; Y327-R331 PolarHBondContact O-N 2.99Å; R331-G333 PolarHBondContact O-N 3.35Å
332N54.9Low55.1Low118 Ų11891.3 Ų91.363%0.63145%0.45SS*.SBendtrans-78.60.7-177.5-76.222000113
333G45.8Very low52.7Low42 Ų4297.5 Ų97.543%0.43347%0.471SS..  trans70.6157.7-169.600000112R331 R335R331-G333 PolarHBondContact O-N 3.35Å; G333-R335 PolarHBondContact O-N 3Å; G333-R335 VanDerWaalsContact O-N 3.08Å
334S43.4Very low50Low67 Ų67101.3 Ų101.347%0.46951%0.509SS..SBendtrans-74.924.4165.446.60000112.1Y337 I338S334-Y337 CarbonylContact O-C 3.56Å; S334-Y337 WeakPolarHBondContact O-CA 3.04Å; S334-Y337 PolarHBondContact O-N 3.42Å; S334-I338 VanDerWaalsContact O-CG1 3.29Å; S334-I338 WeakPolarHBondContact O-CG1 3.28Å; S334-I338 PolarHBondContact O-N 3.4Å; S334-I338 VanDerWaalsContact OG-CD1 3.24Å; S334-I338 WeakPolarHBondContact OG-CD1 3.09Å
335R38.9Very low47.4Very low200 Ų200104.6 Ų104.676%0.75553%0.533SS*.G310 helixtrans-72.4-36.3-169.9-159168.5177.9168.8-2.4112.2G333 Y337G333-R335 PolarHBondContact O-N 3Å; G333-R335 VanDerWaalsContact O-N 3.08Å; R335-Y337 PolarHBondContact O-N 3.12Å
336E36.9Very low45.3Very low175 Ų175108 Ų10882%0.81856%0.555SS**G310 helixtrans-76.33.9165.6-69.4178.6149.300113.6
337Y33.2Very low43Very low161 Ų161113.5 Ų113.563%0.63159%0.588SS**G310 helixtrans-126.29.1-175.7-116.7-97.3000113.3S334 R335S334-Y337 CarbonylContact O-C 3.56Å; S334-Y337 WeakPolarHBondContact O-CA 3.04Å; S334-Y337 PolarHBondContact O-N 3.42Å; R335-Y337 PolarHBondContact O-N 3.12Å
338I33.6Very low40.6Very low67 Ų67118.4 Ų118.434%0.34461%0.613SS.*THydrogen-bonded Turntrans-118.8-32.8177.8-74170.6000110.2S334 D340 E342S334-I338 VanDerWaalsContact O-CG1 3.29Å; S334-I338 WeakPolarHBondContact O-CG1 3.28Å; S334-I338 PolarHBondContact O-N 3.4Å; S334-I338 VanDerWaalsContact OG-CD1 3.24Å; S334-I338 WeakPolarHBondContact OG-CD1 3.09Å; I338-D340 PolarHBondContact O-N 3Å; I338-E342 HydrophobicContact CG2-CB 4.26Å; I338-E342 PolarHBondContact O-N 3.41Å
339D32Very low38.8Very low95 Ų95123.9 Ų123.951%0.50864%0.639SS.*THydrogen-bonded Turntrans-73.78.8-176.9-76.4-17.3000115.9
340D31.4Very low36.9Very low149 Ų149127.7 Ų127.780%0.79766%0.658SS**THydrogen-bonded Turntrans-126.515.9-176.6-131.57.3000114I338I338-D340 PolarHBondContact O-N 3Å
341N30.3Very low35.2Very low169 Ų169132.8 Ų132.890%0.90468%0.684SS**THydrogen-bonded Turntrans-175.87.6155.6-105.2-65.4000116.8
342E29.6Very low33.5Very low136 Ų136131.7 Ų131.764%0.63669%0.689SS**  trans-103.180.7173.3-79.9-166160.700113.1I338I338-E342 HydrophobicContact CG2-CB 4.26Å; I338-E342 PolarHBondContact O-N 3.41Å
343Y30.1Very low32.3Very low190 Ų190131.2 Ų131.275%0.74570%0.695SS**  trans-126.870.1162.6-89-77.8000113.2
344G26.7Very low31.5Very low79 Ų79136.7 Ų136.781%0.81472%0.715SS**  trans-108.324.215800000112.7S346G344-S346 VanDerWaalsContact C-N 3.32Å; G344-S346 PolarHBondContact O-N 3.44Å; G344-S346 VanDerWaalsContact O-N 3.11Å
345S27.8Very low30.8Very low81 Ų81137.3 Ų137.357%0.56672%0.724SS**  trans-85.666.3-178.9-178.60000112.6V347S345-V347 VanDerWaalsContact C-N 3.35Å; S345-V347 WeakPolarHBondContact O-CG2 3.35Å; S345-V347 PolarHBondContact O-N 2.63Å
346S30.4Very low30.2Very low116 Ų116133.6 Ų133.681%0.81173%0.729SS**SBendtrans30.338.2138.974.50000122G344G344-S346 VanDerWaalsContact C-N 3.32Å; G344-S346 PolarHBondContact O-N 3.44Å; G344-S346 VanDerWaalsContact O-N 3.11Å
347V27.2Very low29.8Very low125 Ų125130.4 Ų130.476%0.75873%0.725SS**SBendtrans-128.6-12.4-176.9-179.70000115.7S345S345-V347 VanDerWaalsContact C-N 3.35Å; S345-V347 WeakPolarHBondContact O-CG2 3.35Å; S345-V347 PolarHBondContact O-N 2.63Å
348H27.5Very low29.4Very low149 Ų149127.9 Ų127.969%0.6973%0.731SS**SBendtrans-122.4-0.6-171.6-130.9-29.2000118.7E350H348-E350 PolarHBondContact O-N 3.15Å
349E34.4Very low29.1Very low182 Ų182129.5 Ų129.585%0.8576%0.755SS**G310 helixtrans-874.9-171-147.3163.9-16200115.4L351E349-L351 PolarHBondContact O-N 2.95Å
350E30.2Very low28.8Very low196 Ų196130.8 Ų130.892%0.91676%0.762SS**G310 helixtrans-72.4-0.5168.9-71.3-172.5157.200113.6H348H348-E350 PolarHBondContact O-N 3.15Å
351L30.7Very low28.7Very low133 Ų133129.9 Ų129.970%0.69676%0.757SS**G310 helixtrans-120.61-169.6-82.2165.9000116.7E349E349-L351 PolarHBondContact O-N 2.95Å
352L29.6Very low28.7Very low135 Ų135128.3 Ų128.371%0.70775%0.748SS**  trans-116.620.5-173.8-81.1167.3000115.5N354L352-N354 PolarHBondContact O-N 3.37Å
353S29.2Very low28.8Very low108 Ų108129.2 Ų129.276%0.75575%0.753SS**THydrogen-bonded Turntrans-7012.6179.356.20000116.2
354N28.6Very low28.8Very low158 Ų158128.2 Ų128.285%0.84576%0.755SS**THydrogen-bonded Turntrans-1422.4-162.8-102.7-11.5000118.2L352L352-N354 PolarHBondContact O-N 3.37Å
355A28.2Very low29Very low79 Ų79127.4 Ų127.465%0.65375%0.746SS**  trans-147.483.4-171.900000116.1
356S27.3Very low29Very low123 Ų123135.1 Ų135.186%0.8676%0.763SS**  trans-170.757.4144.545.10000111.9
357S27.1Very low29Very low107 Ų107133.2 Ų133.275%0.74875%0.754SS**  trans-65161.1143420000109.9
358S25.6Very low29Very low108 Ų108138.4 Ų138.476%0.75576%0.76SS**  trans80.482.9166.5-48.20000118
359A27.1Very low29.1Very low101 Ų101135.9 Ų135.984%0.83576%0.759SS**  trans-153.670.1139.600000109.4
360N26.5Very low28.7Very low122 Ų122138 Ų13865%0.65276%0.759SS**  trans19.6115.8150-61.836.4000117.8
361D28.7Very low28.9Very low130 Ų130133.5 Ų133.570%0.69575%0.749SS**  83.813292.3-57.5-37.6000110
362D29.4Very low29.2Very low136 Ų136132.1 Ų132.173%0.72775%0.749SS**  cis-154.1152.540.1-100.2-49.9000113.9
363E31.5Very low29.3Very low155 Ų155133 Ų13372%0.72475%0.753SS**  trans51.3141.6148.2-57.7-160.4114.300122.2
364Q30.6Very low29.3Very low170 Ų170137.5 Ų137.579%0.79475%0.754SS**  cis-162.4159.1-13-102.6-16769.800106.6
365G30.6Very low29.4Very low61 Ų61136.6 Ų136.663%0.62975%0.749SS**  cis162.2130.5-11.200000113.9
366R28.2Very low29.4Very low244 Ų244136.3 Ų136.392%0.92175%0.754SS**  trans71.5153.6154.4-72.5-175.4153.999.8-5.2120.2
367A30Very low29.4Very low75 Ų75139.8 Ų139.862%0.6276%0.756SS**  cis-170.2154.9-16.600000115.1
368R28.6Very low29.4Very low234 Ų234143.8 Ų143.888%0.88376%0.763SS**  trans67.1120.8135-82.3176.6179.1176.2-1.4123.5
369S28Very low29.5Very low96 Ų96148.3 Ų148.367%0.67177%0.772SS**  119.1118.5103.4178.60000121.6
370R27.3Very low29.5Very low226 Ų226146.2 Ų146.285%0.85376%0.761SS**  trans69.8106.5140.4-75176.7169167.4-4.6122.7
371S33.7Very low29.5Very low102 Ų102146.2 Ų146.271%0.71377%0.771SS**  42.4163.3111.167.30000122.7
372P37.5Very low29.3Very low105 Ų105147.3 Ų147.368%0.68278%0.775SS**  cis-140.5-171.7-16.228.4-3.1000116.2
373L31.4Very low29.5Very low152 Ų152146.1 Ų146.180%0.79677%0.774SS**  trans71.8110.6143.1-93.6158.3000122.7
374R29.7Very low29.6Very low204 Ų204145 Ų14577%0.7777%0.772SS**  161.6136.9106.2-95.7171.573158.2-5.3114.7
375N30.3Very low30Very low138 Ų138148.5 Ų148.574%0.73878%0.779SS**  trans58.5132.4146.7-52.12.5000119.7
376G28.7Very low30.6Very low74 Ų74151.4 Ų151.476%0.76377%0.774SS**  cis-176.9177.6-2.300000113.8
377E27.4Very low31.2Very low196 Ų196142.7 Ų142.792%0.91675%0.748SS**  trans85.8106.8165.4-65.2177.3174.600120.4
378E26.4Very low32.2Very low191 Ų191141.8 Ų141.889%0.89374%0.735SS**  trans73.169.7151-49.9-142.714400120G380E378-G380 VanDerWaalsContact C-N 3.33Å; E378-G380 PolarHBondContact O-N 3.27Å
379Q28.6Very low33.5Very low202 Ų202131.2 Ų131.294%0.94470%0.696SS**  trans-64.983.6155.6-67.7174.6-25.700112S381Q379-S381 PolarHBondContact O-N 3.42Å
380G25.6Very low34.8Very low58 Ų58129.9 Ų129.960%0.59868%0.679SS**  trans-71.6114.1162.300000111.2E378 I382E378-G380 VanDerWaalsContact C-N 3.33Å; E378-G380 PolarHBondContact O-N 3.27Å; G380-I382 PolarHBondContact O-N 3.43Å; G380-I382 VanDerWaalsContact O-N 3.11Å
381S26.7Very low36.1Very low122 Ų122122.6 Ų122.685%0.85366%0.66SS**  trans-69100.917343.80000111Q379Q379-S381 PolarHBondContact O-N 3.42Å
382I25.7Very low37.3Very low152 Ų152119.9 Ų119.978%0.77964%0.639SS**  trans-122.1126.1-177.2-59.2178000109.7G380G380-I382 PolarHBondContact O-N 3.43Å; G380-I382 VanDerWaalsContact O-N 3.11Å
383P33.7Very low38.2Very low111 Ų111115.9 Ų115.972%0.72161%0.612SS**  trans-76.6159.2-155.628.3-37.3000115.8R385P383-R385 PolarHBondContact O-N 3.41Å
384L32.4Very low39.5Very low131 Ų131115.3 Ų115.369%0.68660%0.599SS**  trans-49.996.3173.1-77.3150.7000111.6K386L384-K386 PolarHBondContact O-N 3.48Å
385R39.4Very low40.8Very low244 Ų244109.3 Ų109.392%0.92158%0.582SS**  trans-7997.7-163.2-157176.5-169.4-172.24.1112.6P383P383-R385 PolarHBondContact O-N 3.41Å
386K42.1Very low42Very low123 Ų123108.5 Ų108.554%0.53557%0.572SS.*  trans33.196.1167.6-76.1-170.1175.8-175.60115.7L384 T388 E545L384-K386 PolarHBondContact O-N 3.48Å; K386-T388 PolarHBondContact O-N 3.13Å; K386-E545 IonicContact NZ-OE1 3.93Å; K386-E545 PolarHBondContact NZ-OE1 3.23Å
387V42.7Very low43.3Very low61 Ų61105.9 Ų105.937%0.3754%0.541SS..  trans-61.1104.1159.7179.60000108.3V391 R552 I556V387-V391 HydrophobicContact CG1-CB 4.49Å; V387-R552 PolarHBondContact O-NH2 3.18Å; V387-I556 HydrophobicContact CG2-CD1 4.36Å
388T49.4Very low44.7Very low56 Ų5697.4 Ų97.434%0.34450%0.503SS..  trans-75.3154.2-176.466.60000111.4K386 Q390 V391K386-T388 PolarHBondContact O-N 3.13Å; T388-Q390 PolarHBondContact O-N 3.48Å; T388-Q390 PolarHBondContact OG1-OE1 3.46Å; T388-V391 PolarHBondContact O-N 3.4Å; T388-V391 VanDerWaalsContact O-N 3.07Å
389S57.3Low46.1Very low11 Ų1193.8 Ų93.88%0.07749%0.49CS..Hα-helixtrans-56.2-22.4178.962.10000113.5D393 R540S389-D393 PolarHBondContact O-N 3.04Å; S389-R540 PolarHBondContact O-NH2 3.39Å
390Q55.6Low47.2Very low68 Ų6889.5 Ų89.532%0.31847%0.472SS..Hα-helixtrans-65.1-38.9176-61.6169.4-62.300113.3T388 V392 D393 R394T388-Q390 PolarHBondContact O-N 3.48Å; T388-Q390 PolarHBondContact OG1-OE1 3.46Å; Q390-V392 VanDerWaalsContact C-N 3.34Å; Q390-D393 PolarHBondContact O-N 2.99Å; Q390-R394 PolarHBondContact O-N 3.25Å
391V54.6Low48.5Very low73 Ų7390 Ų9044%0.44246%0.458SS..Hα-helixtrans-67.5-39.7-177.1-175.90000110.3V387 T388 R394 N395V387-V391 HydrophobicContact CG1-CB 4.49Å; T388-V391 PolarHBondContact O-N 3.4Å; T388-V391 VanDerWaalsContact O-N 3.07Å; V391-R394 PolarHBondContact O-N 3.41Å; V391-N395 PolarHBondContact O-N 3.4Å
392V57.8Low49.6Very low45 Ų4587.3 Ų87.327%0.27343%0.434SS..Hα-helixtrans-70-39.1178-175.20000111.6Q390 N395 K396 Y544Q390-V392 VanDerWaalsContact C-N 3.34Å; V392-N395 PolarHBondContact O-N 3.44Å; V392-K396 PolarHBondContact O-N 2.63Å; V392-Y544 HydrophobicContact CB-CE1 4.47Å; V392-Y544 HydrophobicContact CG1-CE1 4.28Å; V392-Y544 HydrophobicContact CG2-CE1 4.15Å
393D56.8Low50.5Low21 Ų2186.5 Ų86.511%0.11244%0.436CS..Hα-helixtrans-63-42.2173.4-92.34.6000111.9S389 Q390 N395 K396 L397 R540S389-D393 PolarHBondContact O-N 3.04Å; Q390-D393 PolarHBondContact O-N 2.99Å; D393-N395 VanDerWaalsContact C-N 3.27Å; D393-N395 PolarHBondContact O-N 3.49Å; D393-K396 PolarHBondContact O-N 2.74Å; D393-K396 VanDerWaalsContact O-N 3.13Å; D393-L397 HydrophobicContact CB-CD1 4.49Å; D393-L397 WeakPolarHBondContact O-CB 3.35Å; D393-L397 WeakPolarHBondContact O-CG 3.36Å; D393-L397 PolarHBondContact O-N 2.94Å; D393-R540 VanDerWaalsContact CG-CZ 3.42Å; D393-R540 VanDerWaalsContact CG-NH1 3.33Å; D393-R540 IonicContact OD1-CZ 2.69Å; D393-R540 IonicContact OD1-NE 2.72Å; D393-R540 IonicContact OD1-NH1 3.2Å; D393-R540 PolarHBondContact OD1-NH1 2.83Å; D393-R540 IonicContact OD1-NH2 3.97Å; D393-R540 PolarHBondContact OD1-NH2 3.22Å; D393-R540 IonicContact OD2-CZ 2.59Å; D393-R540 IonicContact OD2-NH1 3.94Å; D393-R540 PolarHBondContact OD2-NH1 2.86Å; D393-R540 IonicContact OD2-NH2 3.48Å; D393-R540 PolarHBondContact OD2-NH2 3.18Å
394R58.4Low50.7Low141 Ų14186.5 Ų86.553%0.53243%0.434SS..Hα-helixtrans-59.8-39.4-178.9-145.6179.889.4147.36.2111.8Q390 V391 S398 I418Q390-R394 PolarHBondContact O-N 3.25Å; V391-R394 PolarHBondContact O-N 3.41Å; R394-S398 PolarHBondContact O-N 2.65Å; R394-I418 HydrophobicContact CG-CG2 3.42Å; R394-I418 VanDerWaalsContact CG-CG2 3.42Å
395N57.2Low50.8Low78 Ų7883.6 Ų83.642%0.41743%0.43SS..Hα-helixtrans-76.2-30.4175.7-77.411.3000113.5V391 V392 D393 S398 N399V391-N395 PolarHBondContact O-N 3.4Å; V392-N395 PolarHBondContact O-N 3.44Å; D393-N395 VanDerWaalsContact C-N 3.27Å; D393-N395 PolarHBondContact O-N 3.49Å; N395-S398 WeakPolarHBondContact CA-OG 3.4Å; N395-S398 PolarHBondContact O-OG 2.94Å; N395-N399 PolarHBondContact O-N 3.46Å; N395-N399 PolarHBondContact O-OD1 3.08Å
396K55.2Low50.4Low120 Ų12078.9 Ų78.952%0.52243%0.431SS..Hα-helixtrans-68.7-40.9170.1-89.4-173.4170.5-177.40112V392 D393 N399 I400V392-K396 PolarHBondContact O-N 2.63Å; D393-K396 PolarHBondContact O-N 2.74Å; D393-K396 VanDerWaalsContact O-N 3.13Å; K396-N399 PolarHBondContact O-N 3.03Å; K396-I400 WeakPolarHBondContact O-CD1 3.12Å; K396-I400 VanDerWaalsContact O-CG1 3.29Å; K396-I400 WeakPolarHBondContact O-CG1 3.26Å; K396-I400 PolarHBondContact O-N 3Å; K396-I400 VanDerWaalsContact O-N 3.16Å
397L55.9Low50.5Low19 Ų1976.7 Ų76.710%0.09944%0.442CS..Hα-helixtrans-65.8-40.6175.2-76.2158000111.3D393 N399 I400 F401 I418 M421 I425D393-L397 HydrophobicContact CB-CD1 4.49Å; D393-L397 WeakPolarHBondContact O-CB 3.35Å; D393-L397 WeakPolarHBondContact O-CG 3.36Å; D393-L397 PolarHBondContact O-N 2.94Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 3.14Å; L397-I400 PolarHBondContact O-N 2.86Å; L397-F401 HydrophobicContact CD2-CD2 4.45Å; L397-F401 HydrophobicContact CD2-CE2 3.82Å; L397-F401 WeakPolarHBondContact O-CD2 3.2Å; L397-F401 PolarHBondContact O-N 3.38Å; L397-I418 HydrophobicContact CB-CG1 4.36Å; L397-M421 HydrophobicContact CD1-CB 3.81Å; L397-M421 HydrophobicContact CD2-CB 3.98Å; L397-M421 HydrophobicContact CD2-CG 4Å; L397-M421 HydrophobicContact CD2-SD 4.15Å; L397-I425 HydrophobicContact CD1-CD1 4.32Å
398S56.6Low50.2Low18 Ų1880.3 Ų80.313%0.12646%0.46CS..Hα-helixtrans-61.5-41174.665.20000112.3R394 N395 I400 F401 N402R394-S398 PolarHBondContact O-N 2.65Å; N395-S398 WeakPolarHBondContact CA-OG 3.4Å; N395-S398 PolarHBondContact O-OG 2.94Å; S398-I400 VanDerWaalsContact C-N 3.28Å; S398-I400 PolarHBondContact O-N 2.75Å; S398-F401 PolarHBondContact O-N 3.46Å; S398-N402 VanDerWaalsContact O-CB 3.28Å; S398-N402 WeakPolarHBondContact O-CB 3.45Å; S398-N402 PolarHBondContact O-N 3.17Å
399N55.7Low49.8Very low115 Ų11587.4 Ų87.462%0.61549%0.486SS*.Hα-helixtrans-72.9-18.8178.4-709.7000113.6N395 K396 L397N395-N399 PolarHBondContact O-N 3.46Å; N395-N399 PolarHBondContact O-OD1 3.08Å; K396-N399 PolarHBondContact O-N 3.03Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 3.14Å
400I52.7Low49.2Very low113 Ų11391.6 Ų91.658%0.57950%0.504SS*.Hα-helixtrans-82.1-30.5172.5-69.5164.3000111.1K396 L397 S398K396-I400 WeakPolarHBondContact O-CD1 3.12Å; K396-I400 VanDerWaalsContact O-CG1 3.29Å; K396-I400 WeakPolarHBondContact O-CG1 3.26Å; K396-I400 PolarHBondContact O-N 3Å; K396-I400 VanDerWaalsContact O-N 3.16Å; L397-I400 PolarHBondContact O-N 2.86Å; S398-I400 VanDerWaalsContact C-N 3.28Å; S398-I400 PolarHBondContact O-N 2.75Å
401F52.3Low48.9Very low69 Ų6991.8 Ų91.830%0.30351%0.513SS..Hα-helixtrans-103.8-9.9-176.2-65.9-57.2000115.5L397 S398 M417 I418L397-F401 HydrophobicContact CD2-CD2 4.45Å; L397-F401 HydrophobicContact CD2-CE2 3.82Å; L397-F401 WeakPolarHBondContact O-CD2 3.2Å; L397-F401 PolarHBondContact O-N 3.38Å; S398-F401 PolarHBondContact O-N 3.46Å; F401-M417 HydrophobicContact CD1-CE 3.75Å; F401-M417 HydrophobicContact CD2-CE 4.35Å; F401-M417 HydrophobicContact CE1-CE 3.26Å; F401-M417 HydrophobicContact CE2-CE 3.91Å; F401-M417 HydrophobicContact CG-CE 4.29Å; F401-M417 HydrophobicContact CZ-CE 3.35Å; F401-I418 HydrophobicContact CD2-CG1 4.39Å
402N49.7Very low48.4Very low64 Ų6492.3 Ų92.334%0.34253%0.525SS..  trans-97.6104.9168.9-75.4-10.9000110.7S398S398-N402 VanDerWaalsContact O-CB 3.28Å; S398-N402 WeakPolarHBondContact O-CB 3.45Å; S398-N402 PolarHBondContact O-N 3.17Å
403T45.3Very low47.7Very low135 Ų13593.4 Ų93.483%0.82854%0.539SS*.  trans-116.318.1172.846.80000113.1
404T37Very low47.5Very low111 Ų11193.3 Ų93.368%0.68154%0.54SS*.SBendtrans-114.6153.3176.637.50000111.1
405A36Very low47.3Very low71 Ų7190.9 Ų90.959%0.58753%0.533SS*.  trans-59.9153.4-165.400000114.1G407A405-G407 PolarHBondContact O-N 2.95Å
406P31.2Very low47Very low145 Ų14588.8 Ų88.894%0.94253%0.53SS*.THydrogen-bonded Turntrans-66.4100.6179.628-34.9000110.9
407G42.7Very low46.8Very low76 Ų7687.4 Ų87.478%0.78453%0.527SS*.THydrogen-bonded Turntrans160-31.4177.400000114.4A405A405-G407 PolarHBondContact O-N 2.95Å
408D37.5Very low46.9Very low137 Ų13787.1 Ų87.173%0.73353%0.525SS*.SBendtrans-86.9140.1-175.1-83.7-41000113.9E410D408-E410 PolarHBondContact O-N 3.3Å
409K40Very low46.9Very low206 Ų20689 Ų8990%0.89654%0.542SS*.PPolyproline II helixtrans-67.4125.4-169.9-66178179.2179.30112.2S411K409-S411 PolarHBondContact O-N 3.09Å
410E46Very low47Very low99 Ų9988 Ų8846%0.46354%0.539SS..PPolyproline II helixtrans-50.7126.4-178.2-58.4168.1106.900113.5D408 K415D408-E410 PolarHBondContact O-N 3.3Å; E410-K415 HydrophobicContact CB-CD 4.3Å; E410-K415 HydrophobicContact CB-CG 4.49Å; E410-K415 VanDerWaalsContact CD-CE 3.44Å; E410-K415 WeakPolarHBondContact OE2-CE 3.41Å; E410-K415 IonicContact OE2-NZ 3.26Å; E410-K415 PolarHBondContact OE2-NZ 3.07Å
411S49Very low47.4Very low72 Ų7286.8 Ų86.850%0.50353%0.533SS..PPolyproline II helixtrans-63141.2176.9179.40000112.7K409 A413 S414 K415K409-S411 PolarHBondContact O-N 3.09Å; S411-A413 PolarHBondContact O-N 3.49Å; S411-A413 PolarHBondContact OG-N 3.07Å; S411-S414 PolarHBondContact O-N 2.97Å; S411-S414 PolarHBondContact O-OG 2.75Å; S411-K415 PolarHBondContact O-N 3.49Å; S411-K415 VanDerWaalsContact O-N 3.12Å
412A43.7Very low47.8Very low84 Ų8484.7 Ų84.769%0.69453%0.526SS*.Hα-helixtrans-58.8-29174.300000112.6G416A412-G416 PolarHBondContact O-N 3.47Å
413A43.7Very low48.4Very low68 Ų6887.6 Ų87.656%0.56254%0.535SS*.Hα-helixtrans-69.8-41.1177.200000112.7S411 G416 M417S411-A413 PolarHBondContact O-N 3.49Å; S411-A413 PolarHBondContact OG-N 3.07Å; A413-G416 PolarHBondContact O-N 2.87Å; A413-M417 PolarHBondContact O-N 3.02Å
414S51.6Low49.3Very low19 Ų1984.6 Ų84.613%0.13352%0.517CS..Hα-helixtrans-70.5-39.317660.30000111S411 G416 M417 I418S411-S414 PolarHBondContact O-N 2.97Å; S411-S414 PolarHBondContact O-OG 2.75Å; S414-G416 VanDerWaalsContact C-N 3.33Å; S414-G416 PolarHBondContact O-N 3.45Å; S414-M417 PolarHBondContact O-N 3.3Å; S414-I418 WeakPolarHBondContact O-CB 3.48Å; S414-I418 WeakPolarHBondContact O-CD1 3.42Å; S414-I418 WeakPolarHBondContact O-CG1 3.4Å; S414-I418 PolarHBondContact O-N 2.99Å
415K53.7Low50.7Low89 Ų8981.8 Ų81.839%0.38750%0.497SS..Hα-helixtrans-57.1-43.3169.8-80174.8167.2156.70112.6E410 S411 A419E410-K415 HydrophobicContact CB-CD 4.3Å; E410-K415 HydrophobicContact CB-CG 4.49Å; E410-K415 VanDerWaalsContact CD-CE 3.44Å; E410-K415 WeakPolarHBondContact OE2-CE 3.41Å; E410-K415 IonicContact OE2-NZ 3.26Å; E410-K415 PolarHBondContact OE2-NZ 3.07Å; S411-K415 PolarHBondContact O-N 3.49Å; S411-K415 VanDerWaalsContact O-N 3.12Å; K415-A419 WeakPolarHBondContact O-CB 3.44Å; K415-A419 PolarHBondContact O-N 3.19Å
416G52Low52.3Low34 Ų3481.9 Ų81.935%0.35148%0.484SS..Hα-helixtrans-61.5-51.5174.700000112.6A412 A413 S414 I418 A419 V420A412-G416 PolarHBondContact O-N 3.47Å; A413-G416 PolarHBondContact O-N 2.87Å; S414-G416 VanDerWaalsContact C-N 3.33Å; S414-G416 PolarHBondContact O-N 3.45Å; G416-I418 PolarHBondContact O-N 3.14Å; G416-A419 PolarHBondContact O-N 2.95Å; G416-V420 WeakPolarHBondContact O-CG2 3.41Å; G416-V420 PolarHBondContact O-N 3.38Å
417M51.5Low54.3Low92 Ų9278 Ų7845%0.45345%0.453SS..Hα-helixtrans-60.9-40.1177.3-87.5178.653.800113.2F401 A413 S414 V420 M421F401-M417 HydrophobicContact CD1-CE 3.75Å; F401-M417 HydrophobicContact CD2-CE 4.35Å; F401-M417 HydrophobicContact CE1-CE 3.26Å; F401-M417 HydrophobicContact CE2-CE 3.91Å; F401-M417 HydrophobicContact CG-CE 4.29Å; F401-M417 HydrophobicContact CZ-CE 3.35Å; A413-M417 PolarHBondContact O-N 3.02Å; S414-M417 PolarHBondContact O-N 3.3Å; M417-V420 PolarHBondContact O-N 3.04Å; M417-M421 WeakPolarHBondContact O-CB 3.49Å; M417-M421 PolarHBondContact O-N 3.47Å
418I58.2Low55.8Low12 Ų1274.9 Ų74.96%0.06242%0.419CS..Hα-helixtrans-64-42.4176.4-69163.3000110.3R394 L397 F401 S414 G416 T422R394-I418 HydrophobicContact CG-CG2 3.42Å; R394-I418 VanDerWaalsContact CG-CG2 3.42Å; L397-I418 HydrophobicContact CB-CG1 4.36Å; F401-I418 HydrophobicContact CD2-CG1 4.39Å; S414-I418 WeakPolarHBondContact O-CB 3.48Å; S414-I418 WeakPolarHBondContact O-CD1 3.42Å; S414-I418 WeakPolarHBondContact O-CG1 3.4Å; S414-I418 PolarHBondContact O-N 2.99Å; G416-I418 PolarHBondContact O-N 3.14Å; I418-T422 WeakPolarHBondContact O-CB 3.33Å; I418-T422 PolarHBondContact O-N 3.49Å; I418-T422 PolarHBondContact O-OG1 3.01Å
419A56.5Low57.9Low59 Ų5970.2 Ų70.249%0.48839%0.392SS..Hα-helixtrans-63.9-45.6175.700000112.1K415 G416 T422 F423K415-A419 WeakPolarHBondContact O-CB 3.44Å; K415-A419 PolarHBondContact O-N 3.19Å; G416-A419 PolarHBondContact O-N 2.95Å; A419-T422 PolarHBondContact O-N 3.09Å; A419-F423 WeakPolarHBondContact O-CB 3.47Å; A419-F423 PolarHBondContact O-N 3.44Å
420V58Low59.7Low92 Ų9261.9 Ų61.956%0.55836%0.359SS*.Hα-helixtrans-64.2-47.4178.51720000111.6G416 M417 T422 F423 V424G416-V420 WeakPolarHBondContact O-CG2 3.41Å; G416-V420 PolarHBondContact O-N 3.38Å; M417-V420 PolarHBondContact O-N 3.04Å; V420-T422 VanDerWaalsContact C-N 3.32Å; V420-T422 PolarHBondContact O-N 2.92Å; V420-F423 PolarHBondContact O-N 3.34Å; V420-V424 HydrophobicContact CG1-CG2 4.31Å; V420-V424 WeakPolarHBondContact O-CG2 3.42Å; V420-V424 PolarHBondContact O-N 2.86Å
421M59.5Low61.4Low89 Ų8961 Ų6144%0.43836%0.357SS..Hα-helixtrans-58.4-43.7174.8-84.9-88178.100111.7L397 M417 F423 V424 I425L397-M421 HydrophobicContact CD1-CB 3.81Å; L397-M421 HydrophobicContact CD2-CB 3.98Å; L397-M421 HydrophobicContact CD2-CG 4Å; L397-M421 HydrophobicContact CD2-SD 4.15Å; M417-M421 WeakPolarHBondContact O-CB 3.49Å; M417-M421 PolarHBondContact O-N 3.47Å; M421-F423 VanDerWaalsContact C-N 3.33Å; M421-F423 PolarHBondContact O-N 3.11Å; M421-V424 PolarHBondContact O-N 3.32Å; M421-I425 WeakPolarHBondContact O-CB 3.28Å; M421-I425 WeakPolarHBondContact O-CD1 3.3Å; M421-I425 WeakPolarHBondContact O-CG1 3.43Å; M421-I425 PolarHBondContact O-N 2.97Å
422T61.2Low62.9Low25 Ų2557.6 Ų57.615%0.15333%0.334CS..Hα-helixtrans-65.8-36.9178.5-50.40000111.7I418 A419 V420 F426I418-T422 WeakPolarHBondContact O-CB 3.33Å; I418-T422 PolarHBondContact O-N 3.49Å; I418-T422 PolarHBondContact O-OG1 3.01Å; A419-T422 PolarHBondContact O-N 3.09Å; V420-T422 VanDerWaalsContact C-N 3.32Å; V420-T422 PolarHBondContact O-N 2.92Å; T422-F426 WeakPolarHBondContact O-CB 3.48Å; T422-F426 PolarHBondContact O-N 2.89Å; T422-F426 VanDerWaalsContact O-N 3.11Å
423F62.5Low64.9Low124 Ų12453.8 Ų53.854%0.54430%0.302SS..Hα-helixtrans-67.5-47175.2-179.6-93.7000112.3A419 V420 M421 I425 F426 H427A419-F423 WeakPolarHBondContact O-CB 3.47Å; A419-F423 PolarHBondContact O-N 3.44Å; V420-F423 PolarHBondContact O-N 3.34Å; M421-F423 VanDerWaalsContact C-N 3.33Å; M421-F423 PolarHBondContact O-N 3.11Å; F423-I425 VanDerWaalsContact C-N 3.34Å; F423-I425 PolarHBondContact O-N 3.21Å; F423-F426 PolarHBondContact O-N 3.3Å; F423-F426 VanDerWaalsContact O-N 3.13Å; F423-H427 AromaticContact CD2-CD2 3.68Å; F423-H427 AromaticContact CD2-NE2 3.99Å; F423-H427 AromaticContact CE1-CD2 3.87Å; F423-H427 AromaticContact CE2-CD2 3.35Å; F423-H427 WeakPolarHBondContact CE2-CD2 3.25Å; F423-H427 AromaticContact CE2-NE2 3.34Å; F423-H427 VanDerWaalsContact CE2-NE2 3.34Å; F423-H427 WeakPolarHBondContact CE2-NE2 3.35Å; F423-H427 AromaticContact CZ-CD2 3.45Å; F423-H427 VanDerWaalsContact CZ-CD2 3.45Å; F423-H427 WeakPolarHBondContact CZ-CD2 3.41Å; F423-H427 AromaticContact CZ-NE2 3.64Å; F423-H427 PolarHBondContact O-N 2.85Å
424V63.4Low66.6Low73 Ų7353.8 Ų53.844%0.44230%0.295SS..Hα-helixtrans-60.9-42.8176.7170.30000111V420 M421 F426 H427 S428V420-V424 HydrophobicContact CG1-CG2 4.31Å; V420-V424 WeakPolarHBondContact O-CG2 3.42Å; V420-V424 PolarHBondContact O-N 2.86Å; M421-V424 PolarHBondContact O-N 3.32Å; V424-F426 VanDerWaalsContact C-N 3.31Å; V424-F426 PolarHBondContact O-N 2.87Å; V424-H427 PolarHBondContact O-N 3.43Å; V424-S428 WeakPolarHBondContact O-CA 3.27Å; V424-S428 WeakPolarHBondContact O-CB 3.37Å; V424-S428 PolarHBondContact O-N 2.93Å
425I66.9Low68Low51 Ų5153.3 Ų53.326%0.26229%0.292SS..Hα-helixtrans-62.3-38.9175.5-69.5165.2000111.2L397 M421 F423 S428 L537L397-I425 HydrophobicContact CD1-CD1 4.32Å; M421-I425 WeakPolarHBondContact O-CB 3.28Å; M421-I425 WeakPolarHBondContact O-CD1 3.3Å; M421-I425 WeakPolarHBondContact O-CG1 3.43Å; M421-I425 PolarHBondContact O-N 2.97Å; F423-I425 VanDerWaalsContact C-N 3.34Å; F423-I425 PolarHBondContact O-N 3.21Å; I425-S428 WeakPolarHBondContact O-CB 3.4Å; I425-S428 PolarHBondContact O-OG 3.08Å; I425-L537 HydrophobicContact CG2-CD2 4.19Å
426F70.8Confident69.5Low74 Ų7449.3 Ų49.333%0.32527%0.274SS..Hα-helixtrans-70.8-40.1177.6-171.9-106.4000113.4T422 F423 V424 Y429T422-F426 WeakPolarHBondContact O-CB 3.48Å; T422-F426 PolarHBondContact O-N 2.89Å; T422-F426 VanDerWaalsContact O-N 3.11Å; F423-F426 PolarHBondContact O-N 3.3Å; F423-F426 VanDerWaalsContact O-N 3.13Å; V424-F426 VanDerWaalsContact C-N 3.31Å; V424-F426 PolarHBondContact O-N 2.87Å; F426-Y429 WeakPolarHBondContact O-CD1 3.27Å
427H71.3Confident70.9Confident63 Ų6349 Ų4929%0.29226%0.264SS..Hα-helixtrans-87-5.1179.6-78.4-86.7000114.7F423 V424 Y429 S430F423-H427 AromaticContact CD2-CD2 3.68Å; F423-H427 AromaticContact CD2-NE2 3.99Å; F423-H427 AromaticContact CE1-CD2 3.87Å; F423-H427 AromaticContact CE2-CD2 3.35Å; F423-H427 WeakPolarHBondContact CE2-CD2 3.25Å; F423-H427 AromaticContact CE2-NE2 3.34Å; F423-H427 VanDerWaalsContact CE2-NE2 3.34Å; F423-H427 WeakPolarHBondContact CE2-NE2 3.35Å; F423-H427 AromaticContact CZ-CD2 3.45Å; F423-H427 VanDerWaalsContact CZ-CD2 3.45Å; F423-H427 WeakPolarHBondContact CZ-CD2 3.41Å; F423-H427 AromaticContact CZ-NE2 3.64Å; F423-H427 PolarHBondContact O-N 2.85Å; V424-H427 PolarHBondContact O-N 3.43Å; H427-Y429 PolarHBondContact O-N 2.95Å; H427-S430 WeakPolarHBondContact O-CB 3.34Å; H427-S430 PolarHBondContact O-N 3.49Å; H427-S430 PolarHBondContact O-OG 3.28Å
428S75.4Confident72.2Confident10 Ų1046.9 Ų46.97%0.0726%0.256CS..Hα-helixtrans-45.2-34.217858.20000115.7V424 I425 S430 I431 A432 L537V424-S428 WeakPolarHBondContact O-CA 3.27Å; V424-S428 WeakPolarHBondContact O-CB 3.37Å; V424-S428 PolarHBondContact O-N 2.93Å; I425-S428 WeakPolarHBondContact O-CB 3.4Å; I425-S428 PolarHBondContact O-OG 3.08Å; S428-S430 VanDerWaalsContact C-N 3.26Å; S428-S430 PolarHBondContact O-N 2.85Å; S428-I431 WeakPolarHBondContact O-CB 3.27Å; S428-I431 PolarHBondContact O-N 2.82Å; S428-I431 VanDerWaalsContact O-N 3.14Å; S428-A432 PolarHBondContact O-N 3.36Å; S428-L537 WeakPolarHBondContact OG-CD1 3.35Å
429Y82.3Confident73.5Confident40 Ų4046.8 Ų46.816%0.15726%0.256CS..Hα-helixtrans-62.6-33.417779.2-87000112.4F426 H427 I431 A432 L433 T464 R465F426-Y429 WeakPolarHBondContact O-CD1 3.27Å; H427-Y429 PolarHBondContact O-N 2.95Å; Y429-I431 VanDerWaalsContact C-N 3.35Å; Y429-A432 PolarHBondContact O-N 3.16Å; Y429-L433 HydrophobicContact CD2-CD1 4.06Å; Y429-L433 HydrophobicContact CE2-CD1 4.32Å; Y429-L433 WeakPolarHBondContact O-CG 3.43Å; Y429-L433 PolarHBondContact O-N 2.92Å; Y429-T464 VanDerWaalsContact CE2-OG1 3.29Å; Y429-T464 WeakPolarHBondContact CE2-OG1 3.41Å; Y429-T464 PolarHBondContact OH-OG1 3.06Å; Y429-R465 HydrophobicContact CD1-CB 3.92Å; Y429-R465 HydrophobicContact CD1-CG 3.82Å; Y429-R465 HydrophobicContact CD2-CB 4.22Å; Y429-R465 HydrophobicContact CE1-CB 3.93Å; Y429-R465 HydrophobicContact CE1-CG 4.21Å; Y429-R465 HydrophobicContact CE2-CB 4.24Å; Y429-R465 HydrophobicContact CG-CB 4.08Å; Y429-R465 HydrophobicContact CG-CG 4.11Å
430S77.4Confident74.6Confident30 Ų3044 Ų4421%0.2123%0.232CC..Hα-helixtrans-68.5-35.5175.766.70000111.6H427 S428 A432 L433 T434H427-S430 WeakPolarHBondContact O-CB 3.34Å; H427-S430 PolarHBondContact O-N 3.49Å; H427-S430 PolarHBondContact O-OG 3.28Å; S428-S430 VanDerWaalsContact C-N 3.26Å; S428-S430 PolarHBondContact O-N 2.85Å; S430-A432 VanDerWaalsContact C-N 3.32Å; S430-A432 PolarHBondContact O-N 3.38Å; S430-L433 PolarHBondContact O-N 3.22Å; S430-T434 WeakPolarHBondContact O-CG2 3.37Å; S430-T434 PolarHBondContact O-N 2.8Å; S430-T434 PolarHBondContact O-OG1 3.02Å; S430-T434 VanDerWaalsContact O-OG1 3.1Å
431I81.6Confident75.4Confident80 Ų8040.9 Ų40.941%0.4121%0.212SC..Hα-helixtrans-63.4-39.1174.8-54.7177.6000110.6S428 Y429 T434 A435 P530S428-I431 WeakPolarHBondContact O-CB 3.27Å; S428-I431 PolarHBondContact O-N 2.82Å; S428-I431 VanDerWaalsContact O-N 3.14Å; Y429-I431 VanDerWaalsContact C-N 3.35Å; I431-T434 VanDerWaalsContact CA-OG1 3.32Å; I431-T434 WeakPolarHBondContact CA-OG1 3.45Å; I431-T434 PolarHBondContact O-OG1 3.13Å; I431-A435 VanDerWaalsContact O-CB 3.3Å; I431-A435 WeakPolarHBondContact O-CB 3.36Å; I431-A435 PolarHBondContact O-N 3.01Å; I431-P530 HydrophobicContact CG2-CB 4.24Å; I431-P530 HydrophobicContact CG2-CG 4.21Å
432A80.6Confident76.2Confident2 Ų241.4 Ų41.42%0.01722%0.216CC..Hα-helixtrans-68.7-40.2175.100000112.6S428 Y429 S430 A435 M436 P530 L534S428-A432 PolarHBondContact O-N 3.36Å; Y429-A432 PolarHBondContact O-N 3.16Å; S430-A432 VanDerWaalsContact C-N 3.32Å; S430-A432 PolarHBondContact O-N 3.38Å; A432-A435 PolarHBondContact O-N 3.33Å; A432-M436 PolarHBondContact O-N 3.12Å; A432-M436 VanDerWaalsContact O-N 3.12Å; A432-P530 HydrophobicContact CB-CB 4.23Å; A432-L534 HydrophobicContact CB-CB 4.24Å; A432-L534 HydrophobicContact CB-CD1 4.04Å; A432-L534 HydrophobicContact CB-CD2 4.27Å; A432-L534 HydrophobicContact CB-CG 4.43Å
433L84.1Confident76.8Confident4 Ų442.5 Ų42.52%0.02122%0.218CC..Hα-helixtrans-62.9-42.9173.3-67.5172.8000111.6Y429 S430 M436 M437 T455 L458Y429-L433 HydrophobicContact CD2-CD1 4.06Å; Y429-L433 HydrophobicContact CE2-CD1 4.32Å; Y429-L433 WeakPolarHBondContact O-CG 3.43Å; Y429-L433 PolarHBondContact O-N 2.92Å; S430-L433 PolarHBondContact O-N 3.22Å; L433-M436 HydrophobicContact CD2-CE 3.68Å; L433-M436 PolarHBondContact O-N 3.43Å; L433-M437 PolarHBondContact O-N 2.75Å; L433-M437 VanDerWaalsContact O-N 3.08Å; L433-T455 HydrophobicContact CB-CG2 4.31Å; L433-L458 HydrophobicContact CD2-CB 3.9Å; L433-L458 HydrophobicContact CD2-CD1 3.64Å; L433-L458 HydrophobicContact CD2-CG 4.4Å
434T79.4Confident77.4Confident68 Ų6839.1 Ų39.142%0.41720%0.204SC..Hα-helixtrans-67.9-34.2175.451.30000112.4S430 I431 M436 M437 T438S430-T434 WeakPolarHBondContact O-CG2 3.37Å; S430-T434 PolarHBondContact O-N 2.8Å; S430-T434 PolarHBondContact O-OG1 3.02Å; S430-T434 VanDerWaalsContact O-OG1 3.1Å; I431-T434 VanDerWaalsContact CA-OG1 3.32Å; I431-T434 WeakPolarHBondContact CA-OG1 3.45Å; I431-T434 PolarHBondContact O-OG1 3.13Å; T434-M436 VanDerWaalsContact C-N 3.35Å; T434-M436 PolarHBondContact O-N 2.97Å; T434-M437 WeakPolarHBondContact O-CB 3.37Å; T434-M437 PolarHBondContact O-N 2.65Å; T434-T438 WeakPolarHBondContact O-CG2 3.39Å; T434-T438 PolarHBondContact O-N 3.46Å; T434-T438 PolarHBondContact O-OG1 3Å; T434-T438 VanDerWaalsContact O-OG1 3.05Å
435A82.1Confident78Confident9 Ų936.3 Ų36.37%0.07419%0.187CC..Hα-helixtrans-63.6-39175.800000112.2I431 A432 T438 W439 L527 P530I431-A435 VanDerWaalsContact O-CB 3.3Å; I431-A435 WeakPolarHBondContact O-CB 3.36Å; I431-A435 PolarHBondContact O-N 3.01Å; A432-A435 PolarHBondContact O-N 3.33Å; A435-T438 WeakPolarHBondContact CA-OG1 3.39Å; A435-T438 PolarHBondContact O-N 2.96Å; A435-T438 PolarHBondContact O-OG1 3.01Å; A435-W439 WeakPolarHBondContact O-CB 3.44Å; A435-W439 PolarHBondContact O-N 3.21Å; A435-L527 HydrophobicContact CB-CD2 4.48Å; A435-P530 HydrophobicContact CB-CB 4.36Å; A435-P530 HydrophobicContact CB-CG 4.19Å
436M85.4Confident78.7Confident4 Ų436.4 Ų36.42%0.0219%0.188CC..Hα-helixtrans-67.6-40.6172.7-68.1-172.2-61.100112.3A432 L433 T434 W439 A440 L451 L458 I475 I479A432-M436 PolarHBondContact O-N 3.12Å; A432-M436 VanDerWaalsContact O-N 3.12Å; L433-M436 HydrophobicContact CD2-CE 3.68Å; L433-M436 PolarHBondContact O-N 3.43Å; T434-M436 VanDerWaalsContact C-N 3.35Å; T434-M436 PolarHBondContact O-N 2.97Å; M436-W439 PolarHBondContact O-N 3.49Å; M436-A440 PolarHBondContact O-N 3.36Å; M436-L451 HydrophobicContact CB-CD2 4.48Å; M436-L451 HydrophobicContact CG-CD2 4.32Å; M436-L451 HydrophobicContact SD-CD2 4.16Å; M436-L458 HydrophobicContact CE-CD1 4.39Å; M436-I475 HydrophobicContact CE-CD1 4.22Å; M436-I475 HydrophobicContact SD-CD1 4.17Å; M436-I475 HydrophobicContact SD-CG1 4.39Å; M436-I475 HydrophobicContact SD-CG2 3.47Å; M436-I475 WeakPolarHBondContact SD-CG2 3.18Å; M436-I479 HydrophobicContact CG-CD1 4.45Å
437M80.8Confident79.2Confident27 Ų2735.5 Ų35.513%0.13318%0.184CC..Hα-helixtrans-58.8-47.8172.8-17368.681.100111.3L433 T434 W439 A440 L441 L452 T455L433-M437 PolarHBondContact O-N 2.75Å; L433-M437 VanDerWaalsContact O-N 3.08Å; T434-M437 WeakPolarHBondContact O-CB 3.37Å; T434-M437 PolarHBondContact O-N 2.65Å; M437-W439 VanDerWaalsContact C-N 3.35Å; M437-W439 PolarHBondContact O-N 2.83Å; M437-A440 PolarHBondContact O-N 2.9Å; M437-L441 HydrophobicContact CG-CD1 4.2Å; M437-L441 WeakPolarHBondContact O-CG 3.24Å; M437-L441 PolarHBondContact O-N 3.34Å; M437-L441 VanDerWaalsContact O-N 3.09Å; M437-L452 HydrophobicContact CE-CD1 4.12Å; M437-L452 HydrophobicContact SD-CD1 3.3Å; M437-L452 WeakPolarHBondContact SD-CD1 3.46Å; M437-T455 HydrophobicContact CB-CG2 4.34Å; M437-T455 HydrophobicContact CE-CG2 3.76Å
438T79Confident79.5Confident48 Ų4832.5 Ų32.529%0.29417%0.17SC..Hα-helixtrans-67.5-32.8178.150.90000112.8T434 A435 L441 L442 L527T434-T438 WeakPolarHBondContact O-CG2 3.39Å; T434-T438 PolarHBondContact O-N 3.46Å; T434-T438 PolarHBondContact O-OG1 3Å; T434-T438 VanDerWaalsContact O-OG1 3.05Å; A435-T438 WeakPolarHBondContact CA-OG1 3.39Å; A435-T438 PolarHBondContact O-N 2.96Å; A435-T438 PolarHBondContact O-OG1 3.01Å; T438-L441 PolarHBondContact O-N 3.26Å; T438-L442 VanDerWaalsContact O-CB 3.3Å; T438-L442 WeakPolarHBondContact O-CB 3.29Å; T438-L442 WeakPolarHBondContact O-CD1 3.37Å; T438-L442 VanDerWaalsContact O-CG 3.22Å; T438-L442 WeakPolarHBondContact O-CG 3.31Å; T438-L442 PolarHBondContact O-N 3.44Å; T438-L527 WeakPolarHBondContact OG1-CD2 3.4Å
439W85Confident79.9Confident11 Ų1133.6 Ų33.64%0.04218%0.175CC..Hα-helixtrans-61.1-47.3172.3-172.3-59.1000110.9A435 M436 M437 L441 L442 Y443 L451 I479 L482 L483 Q524 L527 T528A435-W439 WeakPolarHBondContact O-CB 3.44Å; A435-W439 PolarHBondContact O-N 3.21Å; M436-W439 PolarHBondContact O-N 3.49Å; M437-W439 VanDerWaalsContact C-N 3.35Å; M437-W439 PolarHBondContact O-N 2.83Å; W439-L441 VanDerWaalsContact C-N 3.3Å; W439-L441 PolarHBondContact O-N 3Å; W439-L442 PolarHBondContact O-N 3.43Å; W439-Y443 HydrophobicContact CG-CD2 4.46Å; W439-Y443 PolarHBondContact O-N 3.46Å; W439-L451 HydrophobicContact CB-CD1 4.18Å; W439-L451 HydrophobicContact CG-CD1 3.85Å; W439-I479 HydrophobicContact CZ3-CG2 4.48Å; W439-L482 HydrophobicContact CZ2-CB 4.24Å; W439-L482 HydrophobicContact CZ2-CD1 4.45Å; W439-L483 HydrophobicContact CH2-CG 4.49Å; W439-Q524 HydrophobicContact CH2-CB 3.57Å; W439-Q524 HydrophobicContact CH2-CG 3.63Å; W439-Q524 HydrophobicContact CZ2-CB 4.27Å; W439-Q524 HydrophobicContact CZ2-CG 3.8Å; W439-Q524 HydrophobicContact CZ3-CB 3.85Å; W439-Q524 HydrophobicContact CZ3-CG 4.08Å; W439-Q524 WeakPolarHBondContact CZ3-O 3.49Å; W439-L527 HydrophobicContact CB-CD1 4.42Å; W439-L527 HydrophobicContact CE3-CB 3.77Å; W439-L527 HydrophobicContact CE3-CD1 4.17Å; W439-L527 HydrophobicContact CZ3-CB 4.18Å; W439-T528 HydrophobicContact CH2-CG2 4.21Å; W439-T528 HydrophobicContact CZ3-CG2 3.67Å
440A79.9Confident80.1Confident0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-62.6-34.9178.800000113.2M436 M437 G448 L451 L452 Y663M436-A440 PolarHBondContact O-N 3.36Å; M437-A440 PolarHBondContact O-N 2.9Å; A440-G448 WeakPolarHBondContact CB-O 3.42Å; A440-L451 HydrophobicContact CB-CB 4.25Å; A440-L452 HydrophobicContact CB-CB 3.94Å; A440-Y663 PolarHBondContact O-OH 3.36Å
441L75.9Confident80.5Confident27 Ų2734.3 Ų34.314%0.14118%0.178CC..Hα-helixtrans-78.9-34178.2-66.7170.9000113.4M437 T438 W439 F703 L706 I710M437-L441 HydrophobicContact CG-CD1 4.2Å; M437-L441 WeakPolarHBondContact O-CG 3.24Å; M437-L441 PolarHBondContact O-N 3.34Å; M437-L441 VanDerWaalsContact O-N 3.09Å; T438-L441 PolarHBondContact O-N 3.26Å; W439-L441 VanDerWaalsContact C-N 3.3Å; W439-L441 PolarHBondContact O-N 3Å; L441-F703 HydrophobicContact CB-CD2 4.45Å; L441-F703 HydrophobicContact CD1-CD2 4.41Å; L441-F703 HydrophobicContact CD1-CE2 4.35Å; L441-L706 HydrophobicContact CD2-CB 4.44Å; L441-L706 HydrophobicContact CD2-CD2 3.82Å; L441-I710 HydrophobicContact CD1-CD1 4.08Å
442L74.5Confident80.5Confident99 Ų9930.5 Ų30.552%0.51816%0.159SC..Hα-helixtrans-78.2-34.4179.5-74.1167.2000113T438 W439 V523 L527T438-L442 VanDerWaalsContact O-CB 3.3Å; T438-L442 WeakPolarHBondContact O-CB 3.29Å; T438-L442 WeakPolarHBondContact O-CD1 3.37Å; T438-L442 VanDerWaalsContact O-CG 3.22Å; T438-L442 WeakPolarHBondContact O-CG 3.31Å; T438-L442 PolarHBondContact O-N 3.44Å; W439-L442 PolarHBondContact O-N 3.43Å; L442-V523 HydrophobicContact CD1-CG1 4.34Å; L442-L527 HydrophobicContact CD1-CD1 3.96Å
443Y73.6Confident80.7Confident49 Ų4934 Ų3419%0.19218%0.176CC..SBendtrans-120.877.4-175.2-61.3-67.8000110.4W439 S445 I520 V523 Q524W439-Y443 HydrophobicContact CG-CD2 4.46Å; W439-Y443 PolarHBondContact O-N 3.46Å; Y443-S445 PolarHBondContact O-N 3.43Å; Y443-S445 PolarHBondContact O-OG 3.31Å; Y443-S445 VanDerWaalsContact O-OG 3.06Å; Y443-I520 HydrophobicContact CE1-CG1 4.27Å; Y443-I520 HydrophobicContact CE1-CG2 3.92Å; Y443-I520 PolarHBondContact OH-O 3.02Å; Y443-V523 HydrophobicContact CE2-CG1 4.31Å; Y443-V523 WeakPolarHBondContact OH-CG1 3.44Å; Y443-Q524 HydrophobicContact CD2-CG 4.29Å; Y443-Q524 HydrophobicContact CE2-CG 3.59Å
444H75.1Confident80.7Confident53 Ų5336.4 Ų36.425%0.24519%0.189CC..  trans-59.9107.8-178.8-179.855.2000111.3Y663 F667H444-Y663 AromaticContact CE1-CE1 3.79Å; H444-Y663 AromaticContact CE1-CZ 3.98Å; H444-Y663 AromaticContact ND1-CE1 3.66Å; H444-Y663 AromaticContact ND1-CE2 3.76Å; H444-Y663 AromaticContact ND1-CZ 3.36Å; H444-Y663 PolarHBondContact ND1-OH 3.04Å; H444-F667 AromaticContact CE1-CD2 3.88Å; H444-F667 AromaticContact CE1-CE1 3.78Å; H444-F667 AromaticContact CE1-CE2 3.57Å; H444-F667 AromaticContact CE1-CZ 3.52Å; H444-F667 AromaticContact NE2-CD1 3.64Å; H444-F667 AromaticContact NE2-CE1 3.69Å; H444-F667 AromaticContact NE2-CG 3.83Å; H444-F667 AromaticContact NE2-CZ 3.91Å
445S77.1Confident80.8Confident13 Ų1333.1 Ų33.19%0.09117%0.169CC..SBendtrans-158.6166.3-177.457.60000110.2Y443 F447 G448 L449 G507 Y663Y443-S445 PolarHBondContact O-N 3.43Å; Y443-S445 PolarHBondContact O-OG 3.31Å; Y443-S445 VanDerWaalsContact O-OG 3.06Å; S445-F447 PolarHBondContact O-N 3.38Å; S445-G448 PolarHBondContact O-N 3.1Å; S445-G448 VanDerWaalsContact O-N 3.15Å; S445-G448 PolarHBondContact OG-N 3.31Å; S445-L449 PolarHBondContact O-N 3.35Å; S445-G507 WeakPolarHBondContact CB-O 3.27Å; S445-Y663 PolarHBondContact N-OH 3.44Å; S445-Y663 PolarHBondContact O-OH 3.39Å
446I81.6Confident80.6Confident54 Ų5433.7 Ų33.728%0.27717%0.172SC..Hα-helixtrans-62.4-33.2170.6-64.8-173.4000110.7L449 I450 F505 V506 F667I446-L449 WeakPolarHBondContact O-CB 3.35Å; I446-L449 PolarHBondContact O-N 3.02Å; I446-I450 PolarHBondContact O-N 3.46Å; I446-F505 HydrophobicContact CD1-CD1 4.19Å; I446-F505 HydrophobicContact CD1-CE1 4.05Å; I446-F505 WeakPolarHBondContact CD1-O 3.15Å; I446-V506 HydrophobicContact CD1-CG2 4.47Å; I446-V506 PolarHBondContact N-O 2.95Å; I446-F667 HydrophobicContact CG1-CE1 3.93Å; I446-F667 HydrophobicContact CG1-CZ 3.95Å
447F81.1Confident80.4Confident55 Ų5537.5 Ų37.524%0.24119%0.191CC..Hα-helixtrans-67.7-36.2173.8-61-72.7000112.1S445 I450 L451 Y478 L482 V506 I508S445-F447 PolarHBondContact O-N 3.38Å; F447-I450 PolarHBondContact O-N 3.32Å; F447-L451 PolarHBondContact O-N 3.4Å; F447-Y478 WeakPolarHBondContact CA-OH 3.34Å; F447-Y478 WeakPolarHBondContact CD1-OH 3.44Å; F447-Y478 PolarHBondContact O-OH 3.44Å; F447-L482 HydrophobicContact CB-CD2 3.92Å; F447-L482 HydrophobicContact CD1-CD2 4.23Å; F447-L482 HydrophobicContact CG-CD2 3.99Å; F447-V506 HydrophobicContact CD2-CG1 3.95Å; F447-V506 HydrophobicContact CE2-CG1 3.41Å; F447-V506 VanDerWaalsContact CE2-CG1 3.41Å; F447-V506 HydrophobicContact CZ-CG1 4.26Å; F447-I508 HydrophobicContact CD2-CD1 3.92Å; F447-I508 HydrophobicContact CE2-CD1 3.6Å
448G78.6Confident80.5Confident0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-62.5-40.7169.400000113.2A440 S445 I450 L451 L452A440-G448 WeakPolarHBondContact CB-O 3.42Å; S445-G448 PolarHBondContact O-N 3.1Å; S445-G448 VanDerWaalsContact O-N 3.15Å; S445-G448 PolarHBondContact OG-N 3.31Å; G448-I450 VanDerWaalsContact C-N 3.26Å; G448-I450 PolarHBondContact O-N 3.34Å; G448-L451 WeakPolarHBondContact O-CB 3.37Å; G448-L451 PolarHBondContact O-N 3.38Å; G448-L451 VanDerWaalsContact O-N 3.08Å; G448-L452 PolarHBondContact O-N 2.98Å
449L83.3Confident80.5Confident32 Ų3236.7 Ų36.717%0.16818%0.182CC..Hα-helixtrans-57.7-39176.8-178.463.8000112.1S445 I446 L452 I453 Y663S445-L449 PolarHBondContact O-N 3.35Å; I446-L449 WeakPolarHBondContact O-CB 3.35Å; I446-L449 PolarHBondContact O-N 3.02Å; L449-L452 HydrophobicContact CD1-CD2 4.5Å; L449-L452 PolarHBondContact O-N 3.38Å; L449-I453 HydrophobicContact CD1-CD1 3.95Å; L449-I453 HydrophobicContact CD1-CG1 4.17Å; L449-I453 HydrophobicContact CD2-CD1 4.39Å; L449-I453 HydrophobicContact CG-CD1 3.8Å; L449-I453 HydrophobicContact CG-CG1 4.39Å; L449-I453 WeakPolarHBondContact O-CB 3.45Å; L449-I453 WeakPolarHBondContact O-CG1 3.37Å; L449-I453 PolarHBondContact O-N 2.94Å; L449-Y663 HydrophobicContact CB-CE1 3.82Å; L449-Y663 HydrophobicContact CD1-CD1 3.69Å; L449-Y663 HydrophobicContact CD1-CE1 3.8Å; L449-Y663 HydrophobicContact CG-CE1 4.36Å; L449-Y663 PolarHBondContact N-OH 2.94Å
450I86.3Confident80.1Confident84 Ų8440.6 Ų40.643%0.43120%0.203SC..Hα-helixtrans-63.3-42.2177.3-65.7167.7000110.7I446 F447 G448 L454I446-I450 PolarHBondContact O-N 3.46Å; F447-I450 PolarHBondContact O-N 3.32Å; G448-I450 VanDerWaalsContact C-N 3.26Å; G448-I450 PolarHBondContact O-N 3.34Å; I450-L454 WeakPolarHBondContact O-CB 3.17Å; I450-L454 PolarHBondContact O-N 2.99Å
451L84.9Confident80Confident1 Ų145.5 Ų45.51%0.00522%0.224CC..Hα-helixtrans-66-39.3175.3-67.2173.3000112.3M436 W439 A440 F447 G448 T455 Y478M436-L451 HydrophobicContact CB-CD2 4.48Å; M436-L451 HydrophobicContact CG-CD2 4.32Å; M436-L451 HydrophobicContact SD-CD2 4.16Å; W439-L451 HydrophobicContact CB-CD1 4.18Å; W439-L451 HydrophobicContact CG-CD1 3.85Å; A440-L451 HydrophobicContact CB-CB 4.25Å; F447-L451 PolarHBondContact O-N 3.4Å; G448-L451 WeakPolarHBondContact O-CB 3.37Å; G448-L451 PolarHBondContact O-N 3.38Å; G448-L451 VanDerWaalsContact O-N 3.08Å; L451-T455 VanDerWaalsContact O-CB 3.32Å; L451-T455 WeakPolarHBondContact O-CB 3.35Å; L451-T455 PolarHBondContact O-N 3.33Å; L451-T455 PolarHBondContact O-OG1 2.79Å; L451-Y478 HydrophobicContact CD2-CD1 4.05Å; L451-Y478 HydrophobicContact CD2-CE1 3.91Å; L451-Y478 HydrophobicContact CG-CE1 4.03Å
452L82.9Confident79.8Confident1 Ų155.1 Ų55.11%0.00526%0.258CS..Hα-helixtrans-62.2-53175.9177.959.7000111.3M437 A440 G448 L449 L454 T455 C456 Y663M437-L452 HydrophobicContact CE-CD1 4.12Å; M437-L452 HydrophobicContact SD-CD1 3.3Å; M437-L452 WeakPolarHBondContact SD-CD1 3.46Å; A440-L452 HydrophobicContact CB-CB 3.94Å; G448-L452 PolarHBondContact O-N 2.98Å; L449-L452 HydrophobicContact CD1-CD2 4.5Å; L449-L452 PolarHBondContact O-N 3.38Å; L452-L454 PolarHBondContact O-N 3.19Å; L452-T455 PolarHBondContact O-N 3.14Å; L452-C456 PolarHBondContact O-N 3.31Å; L452-C456 PolarHBondContact O-SG 3.07Å; L452-C456 VanDerWaalsContact O-SG 3.35Å; L452-Y663 HydrophobicContact CD2-CD1 4.22Å; L452-Y663 HydrophobicContact CD2-CD2 3.61Å; L452-Y663 HydrophobicContact CD2-CE2 4.06Å; L452-Y663 HydrophobicContact CD2-CG 3.7Å
453I83.6Confident79.6Confident74 Ų7455.5 Ų55.538%0.37926%0.261SS..Hα-helixtrans-60.4-47.7178.6-69.7171.6000110.7L449 T455 C456 I457L449-I453 HydrophobicContact CD1-CD1 3.95Å; L449-I453 HydrophobicContact CD1-CG1 4.17Å; L449-I453 HydrophobicContact CD2-CD1 4.39Å; L449-I453 HydrophobicContact CG-CD1 3.8Å; L449-I453 HydrophobicContact CG-CG1 4.39Å; L449-I453 WeakPolarHBondContact O-CB 3.45Å; L449-I453 WeakPolarHBondContact O-CG1 3.37Å; L449-I453 PolarHBondContact O-N 2.94Å; I453-T455 VanDerWaalsContact C-N 3.26Å; I453-T455 PolarHBondContact O-N 2.99Å; I453-C456 PolarHBondContact O-N 2.74Å; I453-I457 HydrophobicContact CG2-CD1 3.67Å; I453-I457 HydrophobicContact CG2-CG1 4.43Å; I453-I457 WeakPolarHBondContact O-CB 3.41Å; I453-I457 WeakPolarHBondContact O-CG1 3.48Å; I453-I457 PolarHBondContact O-N 3.09Å
454L84.3Confident79.9Confident55 Ų5554.2 Ų54.229%0.28826%0.258SS..Hα-helixtrans-58.8-40.4177.8-174.268.2000111I450 L452 L458 I475I450-L454 WeakPolarHBondContact O-CB 3.17Å; I450-L454 PolarHBondContact O-N 2.99Å; L452-L454 PolarHBondContact O-N 3.19Å; L454-L458 HydrophobicContact CD1-CD1 4.38Å; L454-L458 HydrophobicContact CD2-CD1 4.49Å; L454-L458 HydrophobicContact CG-CD1 3.91Å; L454-L458 HydrophobicContact CG-CG 4.44Å; L454-L458 VanDerWaalsContact O-CB 3.28Å; L454-L458 WeakPolarHBondContact O-CB 3.45Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 3.16Å; L454-I475 HydrophobicContact CD2-CD1 4.28Å; L454-I475 HydrophobicContact CD2-CG1 4.02Å
455T81.2Confident80.1Confident0 Ų054.7 Ų54.70%026%0.258CS..Hα-helixtrans-68.4-45.8178.2-55.20000111.7L433 M437 L451 L452 I453 I457 L458 W459L433-T455 HydrophobicContact CB-CG2 4.31Å; M437-T455 HydrophobicContact CB-CG2 4.34Å; M437-T455 HydrophobicContact CE-CG2 3.76Å; L451-T455 VanDerWaalsContact O-CB 3.32Å; L451-T455 WeakPolarHBondContact O-CB 3.35Å; L451-T455 PolarHBondContact O-N 3.33Å; L451-T455 PolarHBondContact O-OG1 2.79Å; L452-T455 PolarHBondContact O-N 3.14Å; I453-T455 VanDerWaalsContact C-N 3.26Å; I453-T455 PolarHBondContact O-N 2.99Å; T455-I457 VanDerWaalsContact C-N 3.33Å; T455-I457 PolarHBondContact O-N 3.41Å; T455-L458 PolarHBondContact O-N 2.69Å; T455-W459 VanDerWaalsContact O-CD1 3.28Å; T455-W459 PolarHBondContact O-N 3.18Å
456C78.3Confident80.3Confident21 Ų2161.8 Ų61.814%0.14229%0.287CS..Hα-helixtrans-57.6-44.7175.6-68.90000112L452 I453 W459 I460L452-C456 PolarHBondContact O-N 3.31Å; L452-C456 PolarHBondContact O-SG 3.07Å; L452-C456 VanDerWaalsContact O-SG 3.35Å; I453-C456 PolarHBondContact O-N 2.74Å; C456-W459 PolarHBondContact O-N 2.91Å; C456-I460 WeakPolarHBondContact O-CG1 3.15Å; C456-I460 PolarHBondContact O-N 3.26Å; C456-I460 VanDerWaalsContact O-N 3.16Å
457I81.8Confident80.4Confident83 Ų8360.5 Ų60.543%0.42628%0.283SS..Hα-helixtrans-63.9-46.3175.9-67.7170000111.2I453 T455 W459 I460 F461I453-I457 HydrophobicContact CG2-CD1 3.67Å; I453-I457 HydrophobicContact CG2-CG1 4.43Å; I453-I457 WeakPolarHBondContact O-CB 3.41Å; I453-I457 WeakPolarHBondContact O-CG1 3.48Å; I453-I457 PolarHBondContact O-N 3.09Å; T455-I457 VanDerWaalsContact C-N 3.33Å; T455-I457 PolarHBondContact O-N 3.41Å; I457-W459 PolarHBondContact O-N 3.31Å; I457-I460 PolarHBondContact O-N 2.94Å; I457-I460 VanDerWaalsContact O-N 3.13Å; I457-F461 HydrophobicContact CG2-CD2 4.48Å; I457-F461 HydrophobicContact CG2-CE2 3.69Å; I457-F461 HydrophobicContact CG2-CZ 4.17Å; I457-F461 WeakPolarHBondContact O-CD2 3.49Å
458L82.1Confident80.5Confident4 Ų458 Ų582%0.02127%0.272CS..Hα-helixtrans-61.4-31.2178-75.2172.1000112.7L433 M436 L454 T455 S467 I475L433-L458 HydrophobicContact CD2-CB 3.9Å; L433-L458 HydrophobicContact CD2-CD1 3.64Å; L433-L458 HydrophobicContact CD2-CG 4.4Å; M436-L458 HydrophobicContact CE-CD1 4.39Å; L454-L458 HydrophobicContact CD1-CD1 4.38Å; L454-L458 HydrophobicContact CD2-CD1 4.49Å; L454-L458 HydrophobicContact CG-CD1 3.91Å; L454-L458 HydrophobicContact CG-CG 4.44Å; L454-L458 VanDerWaalsContact O-CB 3.28Å; L454-L458 WeakPolarHBondContact O-CB 3.45Å; L454-L458 WeakPolarHBondContact O-CG 3.37Å; L454-L458 PolarHBondContact O-N 3.16Å; T455-L458 PolarHBondContact O-N 2.69Å; L458-S467 VanDerWaalsContact CD2-OG 3.28Å; L458-S467 WeakPolarHBondContact CD2-OG 3.21Å; L458-I475 HydrophobicContact CD1-CD1 4.49Å
459W78.9Confident80.8Confident54 Ų5459.4 Ų59.421%0.20528%0.278CS..Hα-helixtrans-76.9-26.6174.8-89.180.8000114.2T455 C456 I457 F713 V714 K721T455-W459 VanDerWaalsContact O-CD1 3.28Å; T455-W459 PolarHBondContact O-N 3.18Å; C456-W459 PolarHBondContact O-N 2.91Å; I457-W459 PolarHBondContact O-N 3.31Å; W459-F713 HydrophobicContact CB-CE1 4.17Å; W459-F713 HydrophobicContact CB-CZ 4.36Å; W459-V714 HydrophobicContact CH2-CG1 4.47Å; W459-V714 HydrophobicContact CZ3-CG1 4.3Å; W459-V714 HydrophobicContact CZ3-CG2 4.43Å; W459-K721 PolarHBondContact O-NZ 3.29Å
460I77.1Confident80.8Confident94 Ų9461 Ų6148%0.48230%0.297SS..Hα-helixtrans-71.1-33177.9-71.4162.5000111.6C456 I457 M717C456-I460 WeakPolarHBondContact O-CG1 3.15Å; C456-I460 PolarHBondContact O-N 3.26Å; C456-I460 VanDerWaalsContact O-N 3.16Å; I457-I460 PolarHBondContact O-N 2.94Å; I457-I460 VanDerWaalsContact O-N 3.13Å; I460-M717 HydrophobicContact CB-CE 4.49Å; I460-M717 HydrophobicContact CG1-CE 3.85Å
461F77.4Confident80.9Confident102 Ų10260.8 Ų60.845%0.44730%0.295SS..SBendtrans-60.3144.3-178.4-71.7-59.9000114.4I457 T464 K721I457-F461 HydrophobicContact CG2-CD2 4.48Å; I457-F461 HydrophobicContact CG2-CE2 3.69Å; I457-F461 HydrophobicContact CG2-CZ 4.17Å; I457-F461 WeakPolarHBondContact O-CD2 3.49Å; F461-T464 WeakPolarHBondContact O-CG2 3.4Å; F461-K721 PolarHBondContact O-NZ 3.27Å
462R71.4Confident80.8Confident229 Ų22960.8 Ų60.886%0.86429%0.294SS*.THydrogen-bonded Turntrans-61.6-43.3178.7179.6171.2157.1159.3-5.8113
463D72.1Confident80.9Confident108 Ų10863.5 Ų63.558%0.57831%0.312SS*.THydrogen-bonded Turntrans-109.472.2178-75.4-21.8000112R465 K466 S467D463-R465 PolarHBondContact O-N 3.23Å; D463-K466 HydrophobicContact CB-CB 4.3Å; D463-K466 PolarHBondContact O-N 2.82Å; D463-S467 PolarHBondContact O-N 3.47Å
464T78.3Confident81.1Confident21 Ų2165 Ų6513%0.12932%0.32CS..Hα-helixtrans-50.5-51.1-177.253.90000113.5Y429 F461 K466 S467 S468Y429-T464 VanDerWaalsContact CE2-OG1 3.29Å; Y429-T464 WeakPolarHBondContact CE2-OG1 3.41Å; Y429-T464 PolarHBondContact OH-OG1 3.06Å; F461-T464 WeakPolarHBondContact O-CG2 3.4Å; T464-K466 PolarHBondContact O-N 2.96Å; T464-S467 PolarHBondContact O-N 3.49Å; T464-S468 PolarHBondContact O-N 2.61Å; T464-S468 PolarHBondContact O-OG 3.44Å
465R80.6Confident81.2Confident64 Ų6462.6 Ų62.624%0.24231%0.308CS..Hα-helixtrans-56.7-43.6-177.9-177.2176.2177-119.2-9.4112.9Y429 D463 S468 F469 E541Y429-R465 HydrophobicContact CD1-CB 3.92Å; Y429-R465 HydrophobicContact CD1-CG 3.82Å; Y429-R465 HydrophobicContact CD2-CB 4.22Å; Y429-R465 HydrophobicContact CE1-CB 3.93Å; Y429-R465 HydrophobicContact CE1-CG 4.21Å; Y429-R465 HydrophobicContact CE2-CB 4.24Å; Y429-R465 HydrophobicContact CG-CB 4.08Å; Y429-R465 HydrophobicContact CG-CG 4.11Å; D463-R465 PolarHBondContact O-N 3.23Å; R465-S468 WeakPolarHBondContact CA-OG 3.22Å; R465-S468 PolarHBondContact O-N 2.98Å; R465-S468 PolarHBondContact O-OG 3.18Å; R465-F469 HydrophobicContact CG-CD2 4.06Å; R465-F469 HydrophobicContact CG-CE2 3.56Å; R465-F469 HydrophobicContact CG-CZ 3.92Å; R465-F469 WeakPolarHBondContact O-CG 3.37Å; R465-F469 PolarHBondContact O-N 3.25Å; R465-F469 VanDerWaalsContact O-N 3.1Å; R465-E541 IonicContact CZ-OE1 4Å; R465-E541 IonicContact CZ-OE2 3.4Å; R465-E541 IonicContact NH1-OE1 2.88Å; R465-E541 PolarHBondContact NH1-OE1 3.39Å; R465-E541 IonicContact NH2-OE1 3.19Å; R465-E541 PolarHBondContact NH2-OE1 3.26Å; R465-E541 IonicContact NH2-OE2 3.78Å; R465-E541 PolarHBondContact NH2-OE2 3.11Å
466K80.5Confident81.4Confident161 Ų16162.8 Ų62.870%0.731%0.309SS*.Hα-helixtrans-67.3-41.1-179.4-173-179.5177.5-173.50110.9D463 T464 A470D463-K466 HydrophobicContact CB-CB 4.3Å; D463-K466 PolarHBondContact O-N 2.82Å; T464-K466 PolarHBondContact O-N 2.96Å; K466-A470 PolarHBondContact O-N 2.96Å
467S83.3Confident81.8Confident28 Ų2868.1 Ų68.120%0.19633%0.333CS..Hα-helixtrans-63.9-46.9175.4-160.20000111.7L458 D463 T464 F469 A470 M471L458-S467 VanDerWaalsContact CD2-OG 3.28Å; L458-S467 WeakPolarHBondContact CD2-OG 3.21Å; D463-S467 PolarHBondContact O-N 3.47Å; T464-S467 PolarHBondContact O-N 3.49Å; S467-F469 VanDerWaalsContact C-N 3.34Å; S467-F469 PolarHBondContact O-N 3.34Å; S467-A470 PolarHBondContact O-N 2.95Å; S467-A470 VanDerWaalsContact O-N 3.16Å; S467-M471 PolarHBondContact O-N 2.65Å; S467-M471 VanDerWaalsContact O-N 3.11Å
468S83.7Confident82.2Confident1 Ų166.9 Ų66.91%0.00732%0.323CS..Hα-helixtrans-61.5-37.4178.457.80000113.6T464 R465 M471 A472T464-S468 PolarHBondContact O-N 2.61Å; T464-S468 PolarHBondContact O-OG 3.44Å; R465-S468 WeakPolarHBondContact CA-OG 3.22Å; R465-S468 PolarHBondContact O-N 2.98Å; R465-S468 PolarHBondContact O-OG 3.18Å; S468-M471 PolarHBondContact O-N 2.64Å; S468-A472 WeakPolarHBondContact O-CB 3.35Å; S468-A472 PolarHBondContact O-N 3.05Å
469F85.3Confident82.5Confident30 Ų3066.9 Ų66.913%0.13232%0.323CS..Hα-helixtrans-74.9-26.3177.3-68-22.2000113.7R465 S467 L534 L537 A538 E541R465-F469 HydrophobicContact CG-CD2 4.06Å; R465-F469 HydrophobicContact CG-CE2 3.56Å; R465-F469 HydrophobicContact CG-CZ 3.92Å; R465-F469 WeakPolarHBondContact O-CG 3.37Å; R465-F469 PolarHBondContact O-N 3.25Å; R465-F469 VanDerWaalsContact O-N 3.1Å; S467-F469 VanDerWaalsContact C-N 3.34Å; S467-F469 PolarHBondContact O-N 3.34Å; F469-L534 HydrophobicContact CD1-CD1 3.79Å; F469-L534 HydrophobicContact CD1-CG 4.18Å; F469-L534 HydrophobicContact CE1-CD1 3.67Å; F469-L534 HydrophobicContact CE1-CG 4.38Å; F469-L537 HydrophobicContact CE1-CB 4.36Å; F469-L537 HydrophobicContact CZ-CB 4.39Å; F469-A538 HydrophobicContact CB-CB 3.92Å; F469-A538 HydrophobicContact CD1-CB 4.09Å; F469-A538 HydrophobicContact CG-CB 4.07Å; F469-E541 WeakPolarHBondContact CE2-OE2 3.49Å
470A83.9Confident82.8Confident67 Ų6766 Ų6655%0.55432%0.321SS*.Hα-helixtrans-69.9-40.3172.200000111.6K466 S467K466-A470 PolarHBondContact O-N 2.96Å; S467-A470 PolarHBondContact O-N 2.95Å; S467-A470 VanDerWaalsContact O-N 3.16Å
471M86.7Confident83.4Confident79 Ų7966.9 Ų66.939%0.38932%0.322SS..Hα-helixtrans-86-14.9-178.5-66.3-62.6162.800114.5S467 S468 P473 I474 I475S467-M471 PolarHBondContact O-N 2.65Å; S467-M471 VanDerWaalsContact O-N 3.11Å; S468-M471 PolarHBondContact O-N 2.64Å; M471-P473 VanDerWaalsContact C-CD 3.44Å; M471-P473 VanDerWaalsContact O-N 3.17Å; M471-I474 PolarHBondContact O-N 3.48Å; M471-I474 HydrophobicContact SD-CD1 3.88Å; M471-I475 HydrophobicContact CB-CD1 3.79Å; M471-I475 HydrophobicContact CB-CG1 4.27Å; M471-I475 WeakPolarHBondContact O-CG1 3.36Å; M471-I475 PolarHBondContact O-N 3.29Å
472A84.5Confident83.8Confident0 Ų062.8 Ų62.80%031%0.305CS..Hα-helixtrans-43.8-46-178.100000116.7S468 L476 L534 L535S468-A472 WeakPolarHBondContact O-CB 3.35Å; S468-A472 PolarHBondContact O-N 3.05Å; A472-L476 PolarHBondContact O-N 2.98Å; A472-L534 HydrophobicContact CB-CD2 3.7Å; A472-L534 HydrophobicContact CB-CG 4Å; A472-L535 HydrophobicContact CB-CD1 4.4Å
473P84Confident84.5Confident59 Ų5951.9 Ų51.938%0.38326%0.264SS..Hα-helixtrans-70.2-31.8179.427.5-34.7000113.4M471 M477 L535M471-P473 VanDerWaalsContact C-CD 3.44Å; M471-P473 VanDerWaalsContact O-N 3.17Å; P473-M477 PolarHBondContact O-N 3.01Å; P473-L535 HydrophobicContact CB-CD1 4.11Å
474I87.5Confident85.2Confident104 Ų10450.4 Ų50.453%0.53326%0.255SS..Hα-helixtrans-71.1-45.2177.1-62.2162.7000109.4M471 L476 M477 Y478M471-I474 PolarHBondContact O-N 3.48Å; M471-I474 HydrophobicContact SD-CD1 3.88Å; I474-L476 VanDerWaalsContact C-N 3.31Å; I474-L476 PolarHBondContact O-N 2.9Å; I474-M477 PolarHBondContact O-N 2.97Å; I474-Y478 WeakPolarHBondContact O-CB 3.42Å; I474-Y478 PolarHBondContact O-N 2.93Å
475I86Confident85.5Confident6 Ų652 Ų523%0.03126%0.263CS..Hα-helixtrans-58.1-43.8175.7-66.2167.3000110.6M436 L454 L458 M471 Y478 I479 V531M436-I475 HydrophobicContact CE-CD1 4.22Å; M436-I475 HydrophobicContact SD-CD1 4.17Å; M436-I475 HydrophobicContact SD-CG1 4.39Å; M436-I475 HydrophobicContact SD-CG2 3.47Å; M436-I475 WeakPolarHBondContact SD-CG2 3.18Å; L454-I475 HydrophobicContact CD2-CD1 4.28Å; L454-I475 HydrophobicContact CD2-CG1 4.02Å; L458-I475 HydrophobicContact CD1-CD1 4.49Å; M471-I475 HydrophobicContact CB-CD1 3.79Å; M471-I475 HydrophobicContact CB-CG1 4.27Å; M471-I475 WeakPolarHBondContact O-CG1 3.36Å; M471-I475 PolarHBondContact O-N 3.29Å; I475-Y478 PolarHBondContact O-N 3.05Å; I475-I479 HydrophobicContact CG2-CD1 3.85Å; I475-I479 WeakPolarHBondContact O-CB 3.36Å; I475-I479 WeakPolarHBondContact O-CG1 3.39Å; I475-I479 PolarHBondContact O-N 3.08Å; I475-V531 HydrophobicContact CG2-CG1 3.8Å
476L86.8Confident85.7Confident4 Ų450.7 Ų50.72%0.02126%0.259CS..Hα-helixtrans-65.6-45.6179.4-172.267.1000112.3A472 I474 Y478 I479 E480 V531 F532 L535A472-L476 PolarHBondContact O-N 2.98Å; I474-L476 VanDerWaalsContact C-N 3.31Å; I474-L476 PolarHBondContact O-N 2.9Å; L476-Y478 VanDerWaalsContact C-N 3.31Å; L476-Y478 PolarHBondContact O-N 3.47Å; L476-I479 PolarHBondContact O-N 3.33Å; L476-E480 HydrophobicContact CD1-CG 4.5Å; L476-E480 HydrophobicContact CG-CG 4.37Å; L476-E480 WeakPolarHBondContact O-CG 3.25Å; L476-E480 PolarHBondContact O-N 3.47Å; L476-V531 HydrophobicContact CB-CG1 4.31Å; L476-V531 HydrophobicContact CD1-CB 4.47Å; L476-V531 HydrophobicContact CD1-CG1 3.97Å; L476-F532 HydrophobicContact CD1-CD1 3.73Å; L476-F532 HydrophobicContact CD1-CD2 4.44Å; L476-F532 HydrophobicContact CD1-CE1 3.74Å; L476-F532 HydrophobicContact CD1-CE2 4.45Å; L476-F532 HydrophobicContact CD1-CG 4.09Å; L476-F532 HydrophobicContact CD1-CZ 4.11Å; L476-F532 HydrophobicContact CD2-CD1 3.98Å; L476-F532 HydrophobicContact CD2-CE1 4.12Å; L476-F532 HydrophobicContact CG-CD1 4.48Å; L476-F532 HydrophobicContact CG-CE1 4.39Å; L476-L535 HydrophobicContact CD2-CB 4.45Å; L476-L535 HydrophobicContact CD2-CD2 3.47Å; L476-L535 VanDerWaalsContact CD2-CD2 3.47Å
477M87Confident86Confident133 Ų13343.6 Ų43.666%0.65523%0.228SC*.Hα-helixtrans-61.4-39.4177.2-71.9-162.3-51.600112.4P473 I474 I479 E480 F481P473-M477 PolarHBondContact O-N 3.01Å; I474-M477 PolarHBondContact O-N 2.97Å; M477-I479 VanDerWaalsContact C-N 3.33Å; M477-I479 PolarHBondContact O-N 3.46Å; M477-E480 PolarHBondContact O-N 3.41Å; M477-F481 WeakPolarHBondContact O-CB 3.31Å; M477-F481 PolarHBondContact O-N 3.35Å
478Y89.4Confident86Confident57 Ų5748.2 Ų48.222%0.22424%0.244CC..Hα-helixtrans-62.9-40.7176.4-177-105.9000112F447 L451 I474 I475 L476 F481 L482F447-Y478 WeakPolarHBondContact CA-OH 3.34Å; F447-Y478 WeakPolarHBondContact CD1-OH 3.44Å; F447-Y478 PolarHBondContact O-OH 3.44Å; L451-Y478 HydrophobicContact CD2-CD1 4.05Å; L451-Y478 HydrophobicContact CD2-CE1 3.91Å; L451-Y478 HydrophobicContact CG-CE1 4.03Å; I474-Y478 WeakPolarHBondContact O-CB 3.42Å; I474-Y478 PolarHBondContact O-N 2.93Å; I475-Y478 PolarHBondContact O-N 3.05Å; L476-Y478 VanDerWaalsContact C-N 3.31Å; L476-Y478 PolarHBondContact O-N 3.47Å; Y478-F481 WeakPolarHBondContact O-CB 3.41Å; Y478-F481 PolarHBondContact O-N 3.18Å; Y478-L482 HydrophobicContact CD1-CD1 3.99Å; Y478-L482 HydrophobicContact CE1-CD1 3.62Å; Y478-L482 HydrophobicContact CE1-CG 4.44Å; Y478-L482 WeakPolarHBondContact O-CG 3.44Å; Y478-L482 PolarHBondContact O-N 3.04Å
479I87.2Confident85.8Confident4 Ų449.1 Ų49.12%0.02125%0.249CC..Hα-helixtrans-74.1-36.6178.6-74.7175.4000112.4M436 W439 I475 L476 M477 F481 L482 L483 T528 V531M436-I479 HydrophobicContact CG-CD1 4.45Å; W439-I479 HydrophobicContact CZ3-CG2 4.48Å; I475-I479 HydrophobicContact CG2-CD1 3.85Å; I475-I479 WeakPolarHBondContact O-CB 3.36Å; I475-I479 WeakPolarHBondContact O-CG1 3.39Å; I475-I479 PolarHBondContact O-N 3.08Å; L476-I479 PolarHBondContact O-N 3.33Å; M477-I479 VanDerWaalsContact C-N 3.33Å; M477-I479 PolarHBondContact O-N 3.46Å; I479-F481 VanDerWaalsContact C-N 3.34Å; I479-L482 PolarHBondContact O-N 3.41Å; I479-L483 PolarHBondContact O-N 2.77Å; I479-T528 HydrophobicContact CG2-CG2 3.19Å; I479-V531 HydrophobicContact CD1-CB 4.5Å; I479-V531 HydrophobicContact CD1-CG1 4.22Å; I479-V531 HydrophobicContact CD1-CG2 3.9Å
480E87.1Confident85.5Confident35 Ų3548 Ų4816%0.16425%0.246CC..Hα-helixtrans-62.9-40.1171.3-75.1178.9168.200111.2T221 L476 M477 L483 I484T221-E480 WeakPolarHBondContact CG2-OE1 3.45Å; T221-E480 PolarHBondContact OG1-OE1 3.04Å; L476-E480 HydrophobicContact CD1-CG 4.5Å; L476-E480 HydrophobicContact CG-CG 4.37Å; L476-E480 WeakPolarHBondContact O-CG 3.25Å; L476-E480 PolarHBondContact O-N 3.47Å; M477-E480 PolarHBondContact O-N 3.41Å; E480-L483 PolarHBondContact O-N 3.4Å; E480-I484 WeakPolarHBondContact O-CG1 3.42Å; E480-I484 PolarHBondContact O-N 2.74Å; E480-I484 VanDerWaalsContact O-N 3.07Å
481F88.6Confident85.3Confident112 Ų11245.6 Ų45.649%0.49122%0.223SC..Hα-helixtrans-60.4-47172.5169.1-99.5000112.2M477 Y478 I479 L483 I484 L485M477-F481 WeakPolarHBondContact O-CB 3.31Å; M477-F481 PolarHBondContact O-N 3.35Å; Y478-F481 WeakPolarHBondContact O-CB 3.41Å; Y478-F481 PolarHBondContact O-N 3.18Å; I479-F481 VanDerWaalsContact C-N 3.34Å; F481-L483 PolarHBondContact O-N 3.2Å; F481-I484 PolarHBondContact O-N 3.4Å; F481-L485 HydrophobicContact CE1-CD2 4.31Å; F481-L485 HydrophobicContact CZ-CD2 4.43Å; F481-L485 WeakPolarHBondContact O-CB 3.36Å; F481-L485 PolarHBondContact O-N 3.39Å
482L86.4Confident84.6Confident16 Ų1647.4 Ų47.48%0.08423%0.234CC..Hα-helixtrans-62.5-39.2177.3-70174.5000112.6W439 F447 Y478 I479 L485 Q486W439-L482 HydrophobicContact CZ2-CB 4.24Å; W439-L482 HydrophobicContact CZ2-CD1 4.45Å; F447-L482 HydrophobicContact CB-CD2 3.92Å; F447-L482 HydrophobicContact CD1-CD2 4.23Å; F447-L482 HydrophobicContact CG-CD2 3.99Å; Y478-L482 HydrophobicContact CD1-CD1 3.99Å; Y478-L482 HydrophobicContact CE1-CD1 3.62Å; Y478-L482 HydrophobicContact CE1-CG 4.44Å; Y478-L482 WeakPolarHBondContact O-CG 3.44Å; Y478-L482 PolarHBondContact O-N 3.04Å; I479-L482 PolarHBondContact O-N 3.41Å; L482-L485 PolarHBondContact O-N 3.26Å; L482-Q486 WeakPolarHBondContact O-CB 3.24Å; L482-Q486 PolarHBondContact O-N 2.81Å
483L85.7Confident84.1Confident1 Ų148.5 Ų48.51%0.00524%0.24CC..Hα-helixtrans-63.2-40.7174.8-91.4168.2000112.9F213 L217 W439 I479 E480 F481 Y487 Q524 T525 T528F213-L483 HydrophobicContact CZ-CB 4.39Å; F213-L483 HydrophobicContact CZ-CD2 4.2Å; L217-L483 HydrophobicContact CD2-CD1 4.24Å; W439-L483 HydrophobicContact CH2-CG 4.49Å; I479-L483 PolarHBondContact O-N 2.77Å; E480-L483 PolarHBondContact O-N 3.4Å; F481-L483 PolarHBondContact O-N 3.2Å; L483-Y487 WeakPolarHBondContact O-CB 3.37Å; L483-Y487 PolarHBondContact O-N 3.46Å; L483-Q524 HydrophobicContact CD2-CB 4.06Å; L483-T525 HydrophobicContact CD2-CG2 3.77Å; L483-T528 HydrophobicContact CD1-CG2 3.57Å; L483-T528 HydrophobicContact CG-CG2 4.31Å
484I86.5Confident83.4Confident76 Ų7649 Ų4939%0.3924%0.237SC..Hα-helixtrans-68.8-41.7177.3-68.1165.5000110.6L217 E480 F481 Y487 F488L217-I484 HydrophobicContact CD1-CG1 4.22Å; E480-I484 WeakPolarHBondContact O-CG1 3.42Å; E480-I484 PolarHBondContact O-N 2.74Å; E480-I484 VanDerWaalsContact O-N 3.07Å; F481-I484 PolarHBondContact O-N 3.4Å; I484-Y487 PolarHBondContact O-N 2.85Å; I484-F488 PolarHBondContact O-N 2.72Å; I484-F488 VanDerWaalsContact O-N 3.1Å
485L85.1Confident82.4Confident56 Ų5648.2 Ų48.229%0.29325%0.246SC..Hα-helixtrans-61.5-47.1176-177.263.5000111.3F481 L482 Y487 F488 L489 I508F481-L485 HydrophobicContact CE1-CD2 4.31Å; F481-L485 HydrophobicContact CZ-CD2 4.43Å; F481-L485 WeakPolarHBondContact O-CB 3.36Å; F481-L485 PolarHBondContact O-N 3.39Å; L482-L485 PolarHBondContact O-N 3.26Å; L485-Y487 PolarHBondContact O-N 3.41Å; L485-F488 PolarHBondContact O-N 3.16Å; L485-L489 HydrophobicContact CD1-CD1 4.3Å; L485-L489 HydrophobicContact CG-CD1 3.92Å; L485-L489 WeakPolarHBondContact O-CD1 3.45Å; L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.13Å; L485-I508 HydrophobicContact CD2-CD1 4.28Å
486Q84.3Confident81.5Confident35 Ų3552.2 Ų52.216%0.16426%0.264CS..Hα-helixtrans-61.7-41.9175.8-170.472.458.100112L482 F488 L489 S490 I520 L521L482-Q486 WeakPolarHBondContact O-CB 3.24Å; L482-Q486 PolarHBondContact O-N 2.81Å; Q486-F488 VanDerWaalsContact C-N 3.3Å; Q486-F488 PolarHBondContact O-N 3.03Å; Q486-L489 PolarHBondContact O-N 2.8Å; Q486-S490 WeakPolarHBondContact O-CB 3.32Å; Q486-S490 PolarHBondContact O-N 3.18Å; Q486-S490 PolarHBondContact O-OG 3.42Å; Q486-I520 HydrophobicContact CG-CG2 3.94Å; Q486-L521 HydrophobicContact CB-CD2 4.37Å; Q486-L521 HydrophobicContact CG-CD2 4.07Å
487Y86.5Confident80.6Confident12 Ų1256.9 Ų56.95%0.04729%0.288CS..Hα-helixtrans-58.6-43.1177.4-171.8-84.6000111.1P205 S206 S210 F213 L483 I484 L485 S490 M491 L521P205-Y487 HydrophobicContact CB-CE2 4.1Å; S206-Y487 PolarHBondContact N-OH 3.07Å; S206-Y487 VanDerWaalsContact N-OH 3.15Å; S206-Y487 PolarHBondContact O-OH 2.9Å; S210-Y487 WeakPolarHBondContact CA-OH 3.49Å; S210-Y487 PolarHBondContact N-OH 3.47Å; F213-Y487 HydrophobicContact CB-CD2 4.5Å; F213-Y487 HydrophobicContact CB-CE2 4.08Å; F213-Y487 AromaticContact CD1-CD2 3.71Å; F213-Y487 HydrophobicContact CD1-CD2 3.71Å; F213-Y487 HydrophobicContact CD1-CE2 4.12Å; F213-Y487 HydrophobicContact CD1-CG 4.09Å; F213-Y487 HydrophobicContact CD2-CD2 4.32Å; F213-Y487 AromaticContact CE1-CD2 3.88Å; F213-Y487 HydrophobicContact CE1-CD2 3.88Å; F213-Y487 HydrophobicContact CE1-CG 4.1Å; F213-Y487 HydrophobicContact CE2-CD2 4.48Å; F213-Y487 AromaticContact CG-CD2 3.94Å; F213-Y487 HydrophobicContact CG-CD2 3.94Å; F213-Y487 HydrophobicContact CG-CE2 4Å; F213-Y487 HydrophobicContact CZ-CD2 4.27Å; L483-Y487 WeakPolarHBondContact O-CB 3.37Å; L483-Y487 PolarHBondContact O-N 3.46Å; I484-Y487 PolarHBondContact O-N 2.85Å; L485-Y487 PolarHBondContact O-N 3.41Å; Y487-S490 PolarHBondContact O-N 2.99Å; Y487-S490 PolarHBondContact O-OG 2.9Å; Y487-M491 HydrophobicContact CE1-SD 4.42Å; Y487-L521 HydrophobicContact CD2-CD1 4.2Å; Y487-L521 HydrophobicContact CD2-CD2 4.48Å
488F83.8Confident79.4Confident125 Ų12552.1 Ų52.155%0.54827%0.274SS..Hα-helixtrans-64.3-46.1174.4-106.7-79.6000113.4I484 L485 Q486 S490 M491I484-F488 PolarHBondContact O-N 2.72Å; I484-F488 VanDerWaalsContact O-N 3.1Å; L485-F488 PolarHBondContact O-N 3.16Å; Q486-F488 VanDerWaalsContact C-N 3.3Å; Q486-F488 PolarHBondContact O-N 3.03Å; F488-S490 PolarHBondContact O-N 3.22Å; F488-S490 VanDerWaalsContact O-N 3.15Å; F488-M491 HydrophobicContact CD1-SD 4.26Å; F488-M491 HydrophobicContact CE1-SD 4.44Å; F488-M491 PolarHBondContact O-N 2.87Å; F488-M491 VanDerWaalsContact O-N 3.12Å
489L79.5Confident78.1Confident20 Ų2054.8 Ų54.811%0.10529%0.292CS..Hα-helixtrans-64.3-14.6177-70.5161.5000113.6L485 Q486 I508 W510L485-L489 HydrophobicContact CD1-CD1 4.3Å; L485-L489 HydrophobicContact CG-CD1 3.92Å; L485-L489 WeakPolarHBondContact O-CD1 3.45Å; L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.13Å; Q486-L489 PolarHBondContact O-N 2.8Å; L489-I508 HydrophobicContact CD1-CG2 3.51Å; L489-I508 HydrophobicContact CD2-CG2 3.98Å; L489-I508 HydrophobicContact CG-CG2 4.39Å; L489-W510 HydrophobicContact CD2-CD2 4.43Å; L489-W510 HydrophobicContact CD2-CE3 4.03Å; L489-W510 HydrophobicContact CD2-CH2 4.45Å; L489-W510 HydrophobicContact CD2-CZ3 4.05Å
490S80.1Confident77.1Confident8 Ų856.7 Ų56.76%0.05630%0.304CS..THydrogen-bonded Turntrans-971176.571.30000115.1P205 Q486 Y487 F488 T511P205-S490 WeakPolarHBondContact CB-OG 3.49Å; P205-S490 WeakPolarHBondContact CG-O 3.04Å; Q486-S490 WeakPolarHBondContact O-CB 3.32Å; Q486-S490 PolarHBondContact O-N 3.18Å; Q486-S490 PolarHBondContact O-OG 3.42Å; Y487-S490 PolarHBondContact O-N 2.99Å; Y487-S490 PolarHBondContact O-OG 2.9Å; F488-S490 PolarHBondContact O-N 3.22Å; F488-S490 VanDerWaalsContact O-N 3.15Å; S490-T511 WeakPolarHBondContact CA-OG1 3.27Å; S490-T511 WeakPolarHBondContact CB-OG1 3.49Å
491M78.6Confident76.2Confident16 Ų1659.3 Ų59.38%0.07933%0.332CS..SBendtrans-83.2149.2173.3-62-179.479.700111.4P205 L207 L274 Y487 F488 I493P205-M491 HydrophobicContact CB-CG 4.49Å; L207-M491 HydrophobicContact CB-CE 4.41Å; L274-M491 HydrophobicContact CD1-CE 4.42Å; Y487-M491 HydrophobicContact CE1-SD 4.42Å; F488-M491 HydrophobicContact CD1-SD 4.26Å; F488-M491 HydrophobicContact CE1-SD 4.44Å; F488-M491 PolarHBondContact O-N 2.87Å; F488-M491 VanDerWaalsContact O-N 3.12Å; M491-I493 HydrophobicContact CB-CD1 3.67Å; M491-I493 HydrophobicContact CB-CG1 3.67Å; M491-I493 PolarHBondContact O-N 3.45Å; M491-I493 HydrophobicContact SD-CD1 4.22Å
492D72.6Confident75.6Confident117 Ų11761.3 Ų61.363%0.62634%0.336SS*.SBendtrans-77.863.3-177.5-168.517.1000112.7
493I72.4Confident74.8Confident22 Ų2261 Ų6111%0.11333%0.334CS..  trans-122.74.7-174.5-29.6170.1000112.7M491 A495 E496 I497M491-I493 HydrophobicContact CB-CD1 3.67Å; M491-I493 HydrophobicContact CB-CG1 3.67Å; M491-I493 PolarHBondContact O-N 3.45Å; M491-I493 HydrophobicContact SD-CD1 4.22Å; I493-A495 PolarHBondContact O-N 3.03Å; I493-A495 VanDerWaalsContact O-N 3.15Å; I493-E496 HydrophobicContact CG2-CB 4.3Å; I493-E496 PolarHBondContact O-N 2.68Å; I493-I497 HydrophobicContact CB-CD1 4.11Å; I493-I497 HydrophobicContact CG2-CD1 3.9Å; I493-I497 HydrophobicContact CG2-CG1 4.22Å
494H70Confident73.9Confident70 Ų7066.8 Ų66.832%0.32437%0.365SS..Hα-helixtrans-52.6-39.4-175.7-177.1-59.3000113E496 G498 W510H494-E496 PolarHBondContact O-N 2.69Å; H494-G498 PolarHBondContact O-N 3.22Å; H494-W510 AromaticContact CD2-CD1 3.7Å; H494-W510 AromaticContact CD2-CG 3.75Å; H494-W510 AromaticContact NE2-CD1 3.94Å
495A66.8Low73.1Confident87 Ų8769.8 Ų69.872%0.71938%0.376SS*.Hα-helixtrans-68.6-16.6-177.400000114.6I493I493-A495 PolarHBondContact O-N 3.03Å; I493-A495 VanDerWaalsContact O-N 3.15Å
496E68Low72.3Confident90 Ų9068.3 Ų68.342%0.42137%0.369SS..Hα-helixtrans-106.5-13.1-178.5-79.1115.7-16200114.2R273 I493 H494R273-E496 IonicContact CZ-OE1 3.31Å; R273-E496 VanDerWaalsContact NH1-CD 3.26Å; R273-E496 IonicContact NH1-OE1 2.73Å; R273-E496 PolarHBondContact NH1-OE1 3.12Å; R273-E496 IonicContact NH1-OE2 2.74Å; R273-E496 PolarHBondContact NH1-OE2 3.06Å; R273-E496 VanDerWaalsContact NH1-OE2 3.09Å; R273-E496 IonicContact NH2-OE1 3Å; R273-E496 PolarHBondContact NH2-OE1 3.29Å; I493-E496 HydrophobicContact CG2-CB 4.3Å; I493-E496 PolarHBondContact O-N 2.68Å; H494-E496 PolarHBondContact O-N 2.69Å
497I66.9Low71.4Confident102 Ų10267.9 Ų67.952%0.52337%0.374SS..Hα-helixtrans-107.9-37-174.5-62173.2000112.7I493 W510I493-I497 HydrophobicContact CB-CD1 4.11Å; I493-I497 HydrophobicContact CG2-CD1 3.9Å; I493-I497 HydrophobicContact CG2-CG1 4.22Å; I497-W510 HydrophobicContact CB-CH2 4.17Å; I497-W510 HydrophobicContact CB-CZ2 4.2Å; I497-W510 HydrophobicContact CD1-CH2 3.85Å; I497-W510 HydrophobicContact CG2-CH2 3.99Å; I497-W510 HydrophobicContact CG2-CZ2 3.87Å
498G62.7Low70.5Confident34 Ų3468.4 Ų68.435%0.35138%0.378SS..  trans73.6173.4-176.500000114.7H494 P500H494-G498 PolarHBondContact O-N 3.22Å; G498-P500 VanDerWaalsContact O-CD 3.26Å; G498-P500 WeakPolarHBondContact O-CD 3.19Å
499D60.6Low69.8Low113 Ų11367.7 Ų67.760%0.60438%0.376SS*.  trans-100.9104.7-175.9-73.7-35.8000112.6W510D499-W510 PolarHBondContact OD1-NE1 2.78Å
500P67.1Low69.5Low44 Ų4468.8 Ų68.829%0.28638%0.379SS..  trans-84.7134.917635.1-35.7000111.1G498 W502 M503G498-P500 VanDerWaalsContact O-CD 3.26Å; G498-P500 WeakPolarHBondContact O-CD 3.19Å; P500-W502 HydrophobicContact CB-CG 4.45Å; P500-W502 VanDerWaalsContact CB-NE1 3.34Å; P500-W502 HydrophobicContact CG-CD2 4.39Å; P500-W502 HydrophobicContact CG-CZ2 3.93Å; P500-W502 PolarHBondContact O-N 3.22Å; P500-M503 HydrophobicContact CG-CG 4.48Å; P500-M503 HydrophobicContact CG-SD 4.26Å; P500-M503 PolarHBondContact O-N 3.39Å
501A67.7Low69Low90 Ų9069.7 Ų69.774%0.74438%0.384SS*.THydrogen-bonded Turntrans-55.8-18.4-173.700000115.8M503A501-M503 VanDerWaalsContact C-N 3.34Å
502W75.6Confident68.4Low154 Ų15474 Ų7458%0.58341%0.411SS*.Hα-helixtrans-71.3-23.2175.264.8-100.6000113.6P500 F505 V506P500-W502 HydrophobicContact CB-CG 4.45Å; P500-W502 VanDerWaalsContact CB-NE1 3.34Å; P500-W502 HydrophobicContact CG-CD2 4.39Å; P500-W502 HydrophobicContact CG-CZ2 3.93Å; P500-W502 PolarHBondContact O-N 3.22Å; W502-F505 PolarHBondContact O-N 3.34Å; W502-V506 HydrophobicContact CE3-CG2 4.18Å; W502-V506 WeakPolarHBondContact O-CB 3.16Å; W502-V506 VanDerWaalsContact O-CG2 3.28Å; W502-V506 WeakPolarHBondContact O-CG2 3.37Å; W502-V506 PolarHBondContact O-N 2.82Å
503M70.1Confident68.2Low9 Ų971.3 Ų71.34%0.04440%0.396CS..Hα-helixtrans-63-44.1177.4-97.9172.758.800111.9P500 A501 F505 V506 G507 I508 W510P500-M503 HydrophobicContact CG-CG 4.48Å; P500-M503 HydrophobicContact CG-SD 4.26Å; P500-M503 PolarHBondContact O-N 3.39Å; A501-M503 VanDerWaalsContact C-N 3.34Å; M503-F505 VanDerWaalsContact C-N 3.27Å; M503-F505 PolarHBondContact O-N 3.01Å; M503-V506 PolarHBondContact O-N 3.05Å; M503-G507 PolarHBondContact O-N 3.26Å; M503-I508 HydrophobicContact CE-CG2 4.27Å; M503-I508 HydrophobicContact CG-CB 4.36Å; M503-I508 HydrophobicContact CG-CG2 4.38Å; M503-I508 PolarHBondContact O-N 2.96Å; M503-W510 VanDerWaalsContact CE-CD1 3.47Å; M503-W510 HydrophobicContact CE-CD2 4.17Å; M503-W510 HydrophobicContact CE-CG 3.94Å; M503-W510 HydrophobicContact SD-CZ2 4.42Å
504N66.8Low68.1Low122 Ų12272 Ų7265%0.65240%0.402SS*.Hα-helixtrans-65.2-28.2175.5-71.5-12.3000113.2
505F69.1Low68.4Low140 Ų14070 Ų7061%0.61440%0.395SS*.Hα-helixtrans-77.1-35.6174.4-176.8-95.8000112.3I446 W502 M503I446-F505 HydrophobicContact CD1-CD1 4.19Å; I446-F505 HydrophobicContact CD1-CE1 4.05Å; I446-F505 WeakPolarHBondContact CD1-O 3.15Å; W502-F505 PolarHBondContact O-N 3.34Å; M503-F505 VanDerWaalsContact C-N 3.27Å; M503-F505 PolarHBondContact O-N 3.01Å
506V69.7Low68.8Low24 Ų2470.3 Ų70.315%0.14538%0.381CS..Hα-helixtrans-84-19.8-177.1174.40000112.8I446 F447 W502 M503 I508I446-V506 HydrophobicContact CD1-CG2 4.47Å; I446-V506 PolarHBondContact N-O 2.95Å; F447-V506 HydrophobicContact CD2-CG1 3.95Å; F447-V506 HydrophobicContact CE2-CG1 3.41Å; F447-V506 VanDerWaalsContact CE2-CG1 3.41Å; F447-V506 HydrophobicContact CZ-CG1 4.26Å; W502-V506 HydrophobicContact CE3-CG2 4.18Å; W502-V506 WeakPolarHBondContact O-CB 3.16Å; W502-V506 VanDerWaalsContact O-CG2 3.28Å; W502-V506 WeakPolarHBondContact O-CG2 3.37Å; W502-V506 PolarHBondContact O-N 2.82Å; M503-V506 PolarHBondContact O-N 3.05Å; V506-I508 HydrophobicContact CG1-CD1 4.02Å; V506-I508 HydrophobicContact CG1-CG1 4.21Å
507G64.9Low69.1Low26 Ų2666.1 Ų66.127%0.26836%0.362SS..THydrogen-bonded Turntrans79.646.6-177.900000112.1S445 M503S445-G507 WeakPolarHBondContact CB-O 3.27Å; M503-G507 PolarHBondContact O-N 3.26Å
508I68.3Low69.9Low24 Ų2462.1 Ų62.112%0.12334%0.342CS..  trans-122.9131.6173.6-69.1178.3000108.1F447 L485 L489 M503 V506F447-I508 HydrophobicContact CD2-CD1 3.92Å; F447-I508 HydrophobicContact CE2-CD1 3.6Å; L485-I508 HydrophobicContact CD2-CD1 4.28Å; L489-I508 HydrophobicContact CD1-CG2 3.51Å; L489-I508 HydrophobicContact CD2-CG2 3.98Å; L489-I508 HydrophobicContact CG-CG2 4.39Å; M503-I508 HydrophobicContact CE-CG2 4.27Å; M503-I508 HydrophobicContact CG-CB 4.36Å; M503-I508 HydrophobicContact CG-CG2 4.38Å; M503-I508 PolarHBondContact O-N 2.96Å; V506-I508 HydrophobicContact CG1-CD1 4.02Å; V506-I508 HydrophobicContact CG1-CG1 4.21Å
509E68.5Low70.8Confident109 Ų10965 Ų6551%0.50935%0.349SS..  trans-126146-179.9-65.4177.3-17700109.9R694E509-R694 IonicContact OE1-CZ 3.17Å; E509-R694 IonicContact OE1-NH1 3.29Å; E509-R694 PolarHBondContact OE1-NH1 3Å; E509-R694 IonicContact OE1-NH2 3.6Å; E509-R694 PolarHBondContact OE1-NH2 2.93Å; E509-R694 IonicContact OE2-NH2 2.84Å
510W73.7Confident71.8Confident44 Ų4461.1 Ų61.117%0.16733%0.328CS..  trans-72.4141.6175.3-62.9104.2000111.8L489 H494 I497 D499 M503L489-W510 HydrophobicContact CD2-CD2 4.43Å; L489-W510 HydrophobicContact CD2-CE3 4.03Å; L489-W510 HydrophobicContact CD2-CH2 4.45Å; L489-W510 HydrophobicContact CD2-CZ3 4.05Å; H494-W510 AromaticContact CD2-CD1 3.7Å; H494-W510 AromaticContact CD2-CG 3.75Å; H494-W510 AromaticContact NE2-CD1 3.94Å; I497-W510 HydrophobicContact CB-CH2 4.17Å; I497-W510 HydrophobicContact CB-CZ2 4.2Å; I497-W510 HydrophobicContact CD1-CH2 3.85Å; I497-W510 HydrophobicContact CG2-CH2 3.99Å; I497-W510 HydrophobicContact CG2-CZ2 3.87Å; D499-W510 PolarHBondContact OD1-NE1 2.78Å; M503-W510 VanDerWaalsContact CE-CD1 3.47Å; M503-W510 HydrophobicContact CE-CD2 4.17Å; M503-W510 HydrophobicContact CE-CG 3.94Å; M503-W510 HydrophobicContact SD-CZ2 4.42Å
511T69.8Low72.6Confident27 Ų2759.1 Ų59.117%0.16631%0.314CS..  trans-99.597.7174.557.70000111.3S490 I520S490-T511 WeakPolarHBondContact CA-OG1 3.27Å; S490-T511 WeakPolarHBondContact CB-OG1 3.49Å; T511-I520 HydrophobicContact CG2-CD1 3.61Å
512T65.6Low73.5Confident107 Ų10757.6 Ų57.666%0.65630%0.298SS*.  trans-78.2-21.6179.553.80000113.8
513L69Low73.9Confident59 Ų5952.7 Ų52.731%0.30929%0.285SS..SBendtrans-93.7121.7-177.3-79.9151.1000111.5M305 V515 H516 A517M305-L513 HydrophobicContact CB-CD2 4.23Å; M305-L513 HydrophobicContact SD-CD2 3.76Å; L513-V515 VanDerWaalsContact C-N 3.28Å; L513-V515 PolarHBondContact O-N 3.35Å; L513-H516 HydrophobicContact CB-CB 4.01Å; L513-H516 PolarHBondContact O-N 2.99Å; L513-A517 PolarHBondContact O-N 3.05Å; L513-A517 VanDerWaalsContact O-N 3.08Å
514P69.2Low74.6Confident36 Ų3652.4 Ų52.423%0.23428%0.283CS..Hα-helixtrans-65.1-29.6-174.925.2-33.8000113.1K306 L309 V518K306-P514 HydrophobicContact CG-CG 4.42Å; L309-P514 HydrophobicContact CD1-CB 4.25Å; L309-P514 HydrophobicContact CD1-CG 3.89Å; P514-V518 WeakPolarHBondContact O-CG2 3.48Å; P514-V518 PolarHBondContact O-N 3.2Å; P514-V518 VanDerWaalsContact O-N 3.14Å
515V76.7Confident75.4Confident28 Ų2847.2 Ų47.217%0.1726%0.256CS..Hα-helixtrans-69.4-38173.3168.30000112M305 P308 L513 V518 I519M305-V515 VanDerWaalsContact O-CG2 3.23Å; M305-V515 WeakPolarHBondContact O-CG2 3.46Å; P308-V515 HydrophobicContact CG-CG2 3.76Å; L513-V515 VanDerWaalsContact C-N 3.28Å; L513-V515 PolarHBondContact O-N 3.35Å; V515-V518 PolarHBondContact O-N 2.72Å; V515-I519 HydrophobicContact CG1-CD1 3.79Å; V515-I519 HydrophobicContact CG1-CG1 4.48Å; V515-I519 VanDerWaalsContact O-CG1 3.31Å; V515-I519 WeakPolarHBondContact O-CG1 3.47Å; V515-I519 PolarHBondContact O-N 3.48Å
516H74.5Confident76Confident94 Ų9445.8 Ų45.844%0.43525%0.254SS..Hα-helixtrans-67.1-42177-74.464.2000110.8L513 V518 I519 I520L513-H516 HydrophobicContact CB-CB 4.01Å; L513-H516 PolarHBondContact O-N 2.99Å; H516-V518 PolarHBondContact O-N 3.13Å; H516-I519 PolarHBondContact O-N 3.38Å; H516-I520 WeakPolarHBondContact O-CB 3.21Å; H516-I520 WeakPolarHBondContact O-CD1 3.41Å; H516-I520 VanDerWaalsContact O-CG1 3.28Å; H516-I520 WeakPolarHBondContact O-CG1 3.42Å; H516-I520 PolarHBondContact O-N 3.45Å
517A75.3Confident76.7Confident3 Ų346.1 Ų46.13%0.02526%0.255CS..Hα-helixtrans-55.4-47.9172.300000112.4P205 L513 L521P205-A517 HydrophobicContact CG-CB 4.24Å; L513-A517 PolarHBondContact O-N 3.05Å; L513-A517 VanDerWaalsContact O-N 3.08Å; A517-L521 WeakPolarHBondContact O-CB 3.3Å; A517-L521 WeakPolarHBondContact O-CG 3.48Å; A517-L521 PolarHBondContact O-N 3.17Å
518V82.5Confident77.6Confident17 Ų1744.9 Ų44.910%0.10324%0.242CC..Hα-helixtrans-60.5-46176.6169.10000111.8I202 V203 P308 P514 V515 H516 C522I202-V518 HydrophobicContact CG2-CG1 4.38Å; V203-V518 WeakPolarHBondContact O-CG2 3.3Å; P308-V518 HydrophobicContact CB-CG2 4.23Å; P308-V518 HydrophobicContact CG-CG2 4.19Å; P514-V518 WeakPolarHBondContact O-CG2 3.48Å; P514-V518 PolarHBondContact O-N 3.2Å; P514-V518 VanDerWaalsContact O-N 3.14Å; V515-V518 PolarHBondContact O-N 2.72Å; H516-V518 PolarHBondContact O-N 3.13Å; V518-C522 WeakPolarHBondContact O-CB 3.4Å; V518-C522 PolarHBondContact O-N 3.06Å
519I82.1Confident78.3Confident94 Ų9447.2 Ų47.248%0.48226%0.255SS..Hα-helixtrans-63.8-49.6-179.3-69.6166.5000110.9V515 H516 C522 V523V515-I519 HydrophobicContact CG1-CD1 3.79Å; V515-I519 HydrophobicContact CG1-CG1 4.48Å; V515-I519 VanDerWaalsContact O-CG1 3.31Å; V515-I519 WeakPolarHBondContact O-CG1 3.47Å; V515-I519 PolarHBondContact O-N 3.48Å; H516-I519 PolarHBondContact O-N 3.38Å; I519-C522 PolarHBondContact O-N 3.38Å; I519-V523 HydrophobicContact CG2-CG2 4.36Å; I519-V523 WeakPolarHBondContact O-CG2 3.3Å; I519-V523 PolarHBondContact O-N 2.7Å
520I82.4Confident79Confident33 Ų3343.6 Ų43.617%0.16924%0.24CC..Hα-helixtrans-62.1-49.2-176.9-69.2164.5000110.5Y443 Q486 T511 H516 C522 V523 Q524Y443-I520 HydrophobicContact CE1-CG1 4.27Å; Y443-I520 HydrophobicContact CE1-CG2 3.92Å; Y443-I520 PolarHBondContact OH-O 3.02Å; Q486-I520 HydrophobicContact CG-CG2 3.94Å; T511-I520 HydrophobicContact CG2-CD1 3.61Å; H516-I520 WeakPolarHBondContact O-CB 3.21Å; H516-I520 WeakPolarHBondContact O-CD1 3.41Å; H516-I520 VanDerWaalsContact O-CG1 3.28Å; H516-I520 WeakPolarHBondContact O-CG1 3.42Å; H516-I520 PolarHBondContact O-N 3.45Å; I520-C522 VanDerWaalsContact C-N 3.32Å; I520-C522 PolarHBondContact O-N 3.31Å; I520-V523 PolarHBondContact O-N 3.14Å; I520-Q524 WeakPolarHBondContact O-CB 3.32Å; I520-Q524 VanDerWaalsContact O-CG 3.32Å; I520-Q524 WeakPolarHBondContact O-CG 3.35Å; I520-Q524 PolarHBondContact O-N 3.36Å
521L84Confident79.5Confident1 Ų141.6 Ų41.61%0.00523%0.233CC..Hα-helixtrans-62.7-35.9176.1-74170.6000112.6I202 Q486 Y487 A517 T525I202-L521 HydrophobicContact CG1-CB 4.41Å; I202-L521 HydrophobicContact CG2-CB 3.68Å; I202-L521 HydrophobicContact CG2-CD1 4.32Å; Q486-L521 HydrophobicContact CB-CD2 4.37Å; Q486-L521 HydrophobicContact CG-CD2 4.07Å; Y487-L521 HydrophobicContact CD2-CD1 4.2Å; Y487-L521 HydrophobicContact CD2-CD2 4.48Å; A517-L521 WeakPolarHBondContact O-CB 3.3Å; A517-L521 WeakPolarHBondContact O-CG 3.48Å; A517-L521 PolarHBondContact O-N 3.17Å; L521-T525 WeakPolarHBondContact O-CB 3.43Å; L521-T525 WeakPolarHBondContact O-CG2 3.41Å; L521-T525 PolarHBondContact O-N 3.49Å; L521-T525 PolarHBondContact O-OG1 3.39Å
522C85Confident80.3Confident58 Ų5840.5 Ų40.539%0.39223%0.226SC..Hα-helixtrans-70-44.3177.6-168.70000112.2V518 I519 I520 T525 L526V518-C522 WeakPolarHBondContact O-CB 3.4Å; V518-C522 PolarHBondContact O-N 3.06Å; I519-C522 PolarHBondContact O-N 3.38Å; I520-C522 VanDerWaalsContact C-N 3.32Å; I520-C522 PolarHBondContact O-N 3.31Å; C522-T525 WeakPolarHBondContact CA-OG1 3.31Å; C522-T525 PolarHBondContact O-N 3.46Å; C522-T525 PolarHBondContact O-OG1 2.87Å; C522-T525 VanDerWaalsContact O-OG1 3.06Å; C522-L526 WeakPolarHBondContact O-CB 3.31Å; C522-L526 PolarHBondContact O-N 3.01Å
523V84.2Confident81.1Confident51 Ų5138.7 Ų38.731%0.30921%0.212SC..Hα-helixtrans-65.7-45.3176.8170.40000110.8L442 Y443 I519 I520 L526 L527L442-V523 HydrophobicContact CD1-CG1 4.34Å; Y443-V523 HydrophobicContact CE2-CG1 4.31Å; Y443-V523 WeakPolarHBondContact OH-CG1 3.44Å; I519-V523 HydrophobicContact CG2-CG2 4.36Å; I519-V523 WeakPolarHBondContact O-CG2 3.3Å; I519-V523 PolarHBondContact O-N 2.7Å; I520-V523 PolarHBondContact O-N 3.14Å; V523-L526 WeakPolarHBondContact O-CB 3.38Å; V523-L526 PolarHBondContact O-N 3.24Å; V523-L527 HydrophobicContact CG1-CD1 4Å; V523-L527 WeakPolarHBondContact O-CG 3.46Å; V523-L527 PolarHBondContact O-N 3.44Å
524Q86.1Confident82Confident4 Ų436.1 Ų36.12%0.01920%0.199CC..Hα-helixtrans-60.7-48.8175.8-74.1-177.15.900111.3W439 Y443 L483 I520 L526 L527 T528W439-Q524 HydrophobicContact CH2-CB 3.57Å; W439-Q524 HydrophobicContact CH2-CG 3.63Å; W439-Q524 HydrophobicContact CZ2-CB 4.27Å; W439-Q524 HydrophobicContact CZ2-CG 3.8Å; W439-Q524 HydrophobicContact CZ3-CB 3.85Å; W439-Q524 HydrophobicContact CZ3-CG 4.08Å; W439-Q524 WeakPolarHBondContact CZ3-O 3.49Å; Y443-Q524 HydrophobicContact CD2-CG 4.29Å; Y443-Q524 HydrophobicContact CE2-CG 3.59Å; L483-Q524 HydrophobicContact CD2-CB 4.06Å; I520-Q524 WeakPolarHBondContact O-CB 3.32Å; I520-Q524 VanDerWaalsContact O-CG 3.32Å; I520-Q524 WeakPolarHBondContact O-CG 3.35Å; I520-Q524 PolarHBondContact O-N 3.36Å; Q524-L526 VanDerWaalsContact C-N 3.27Å; Q524-L526 PolarHBondContact O-N 3.34Å; Q524-L527 PolarHBondContact O-N 3.27Å; Q524-L527 VanDerWaalsContact O-N 3.12Å; Q524-T528 VanDerWaalsContact O-CG2 3.31Å; Q524-T528 WeakPolarHBondContact O-CG2 3.23Å; Q524-T528 PolarHBondContact O-N 3.3Å; Q524-T528 VanDerWaalsContact O-N 3.12Å
525T82.1Confident82.8Confident13 Ų1335.4 Ų35.48%0.0819%0.193CC..Hα-helixtrans-61.7-32177.3490000113.1I202 F213 F216 L483 L521 C522 T528I202-T525 HydrophobicContact CD1-CG2 4.32Å; F213-T525 HydrophobicContact CE2-CG2 4.16Å; F216-T525 HydrophobicContact CE1-CG2 4.14Å; L483-T525 HydrophobicContact CD2-CG2 3.77Å; L521-T525 WeakPolarHBondContact O-CB 3.43Å; L521-T525 WeakPolarHBondContact O-CG2 3.41Å; L521-T525 PolarHBondContact O-N 3.49Å; L521-T525 PolarHBondContact O-OG1 3.39Å; C522-T525 WeakPolarHBondContact CA-OG1 3.31Å; C522-T525 PolarHBondContact O-N 3.46Å; C522-T525 PolarHBondContact O-OG1 2.87Å; C522-T525 VanDerWaalsContact O-OG1 3.06Å; T525-T528 PolarHBondContact O-OG1 2.95Å
526L82.8Confident83.2Confident110 Ų11037.7 Ų37.758%0.57620%0.198SC*.Hα-helixtrans-65.5-45.3171.5-112.1161.3000112.8C522 V523 Q524 T528 L529C522-L526 WeakPolarHBondContact O-CB 3.31Å; C522-L526 PolarHBondContact O-N 3.01Å; V523-L526 WeakPolarHBondContact O-CB 3.38Å; V523-L526 PolarHBondContact O-N 3.24Å; Q524-L526 VanDerWaalsContact C-N 3.27Å; Q524-L526 PolarHBondContact O-N 3.34Å; L526-T528 PolarHBondContact O-N 3.08Å; L526-L529 HydrophobicContact CD2-CD1 4.44Å; L526-L529 PolarHBondContact O-N 2.64Å
527L83.8Confident83.6Confident30 Ų3034.3 Ų34.316%0.15718%0.183CC..Hα-helixtrans-67.4-20179.3-70.7169.9000113.5A435 T438 W439 L442 V523 Q524 P530A435-L527 HydrophobicContact CB-CD2 4.48Å; T438-L527 WeakPolarHBondContact OG1-CD2 3.4Å; W439-L527 HydrophobicContact CB-CD1 4.42Å; W439-L527 HydrophobicContact CE3-CB 3.77Å; W439-L527 HydrophobicContact CE3-CD1 4.17Å; W439-L527 HydrophobicContact CZ3-CB 4.18Å; L442-L527 HydrophobicContact CD1-CD1 3.96Å; V523-L527 HydrophobicContact CG1-CD1 4Å; V523-L527 WeakPolarHBondContact O-CG 3.46Å; V523-L527 PolarHBondContact O-N 3.44Å; Q524-L527 PolarHBondContact O-N 3.27Å; Q524-L527 VanDerWaalsContact O-N 3.12Å; L527-P530 WeakPolarHBondContact O-CD 3.26Å
528T84.8Confident84Confident0 Ų034.9 Ų34.90%019%0.188CC..Hα-helixtrans-82-22.317667.70000114.5W439 I479 L483 Q524 T525 L526 V531 F532W439-T528 HydrophobicContact CH2-CG2 4.21Å; W439-T528 HydrophobicContact CZ3-CG2 3.67Å; I479-T528 HydrophobicContact CG2-CG2 3.19Å; L483-T528 HydrophobicContact CD1-CG2 3.57Å; L483-T528 HydrophobicContact CG-CG2 4.31Å; Q524-T528 VanDerWaalsContact O-CG2 3.31Å; Q524-T528 WeakPolarHBondContact O-CG2 3.23Å; Q524-T528 PolarHBondContact O-N 3.3Å; Q524-T528 VanDerWaalsContact O-N 3.12Å; T525-T528 PolarHBondContact O-OG1 2.95Å; L526-T528 PolarHBondContact O-N 3.08Å; T528-V531 WeakPolarHBondContact O-CA 3.44Å; T528-V531 WeakPolarHBondContact O-CB 3.47Å; T528-V531 PolarHBondContact O-N 3.03Å; T528-F532 WeakPolarHBondContact O-CD2 3.3Å; T528-F532 PolarHBondContact O-N 2.72Å; T528-F532 VanDerWaalsContact O-N 3.07Å; T528-F532 WeakPolarHBondContact OG1-CE2 3.12Å
529L82.1Confident84.1Confident74 Ų7440.6 Ų40.639%0.38721%0.208SC..Hα-helixtrans-56.2-41.8-177.6-71.6171.4000114L526 V531 F532 L533L526-L529 HydrophobicContact CD2-CD1 4.44Å; L526-L529 PolarHBondContact O-N 2.64Å; L529-V531 PolarHBondContact O-N 2.73Å; L529-F532 PolarHBondContact O-N 3.04Å; L529-L533 WeakPolarHBondContact O-CB 3.05Å; L529-L533 PolarHBondContact O-N 3.38Å; L529-L533 VanDerWaalsContact O-N 3.12Å
530P83.6Confident83.9Confident32 Ų3237.2 Ų37.221%0.20819%0.189CC..Hα-helixtrans-59.9-30.1172.1-25.236000113.8I431 A432 A435 L527 L533 L534I431-P530 HydrophobicContact CG2-CB 4.24Å; I431-P530 HydrophobicContact CG2-CG 4.21Å; A432-P530 HydrophobicContact CB-CB 4.23Å; A435-P530 HydrophobicContact CB-CB 4.36Å; A435-P530 HydrophobicContact CB-CG 4.19Å; L527-P530 WeakPolarHBondContact O-CD 3.26Å; P530-L533 PolarHBondContact O-N 3.26Å; P530-L534 WeakPolarHBondContact O-CB 3.41Å; P530-L534 PolarHBondContact O-N 2.73Å
531V83.9Confident83.5Confident2 Ų237.7 Ų37.71%0.01219%0.191CC..Hα-helixtrans-78.6-42-178.9-172.50000111.4I475 L476 I479 T528 L529 L533 L534 L535I475-V531 HydrophobicContact CG2-CG1 3.8Å; L476-V531 HydrophobicContact CB-CG1 4.31Å; L476-V531 HydrophobicContact CD1-CB 4.47Å; L476-V531 HydrophobicContact CD1-CG1 3.97Å; I479-V531 HydrophobicContact CD1-CB 4.5Å; I479-V531 HydrophobicContact CD1-CG1 4.22Å; I479-V531 HydrophobicContact CD1-CG2 3.9Å; T528-V531 WeakPolarHBondContact O-CA 3.44Å; T528-V531 WeakPolarHBondContact O-CB 3.47Å; T528-V531 PolarHBondContact O-N 3.03Å; L529-V531 PolarHBondContact O-N 2.73Å; V531-L533 PolarHBondContact O-N 2.98Å; V531-L534 WeakPolarHBondContact O-CB 3.37Å; V531-L534 PolarHBondContact O-N 2.88Å; V531-L534 VanDerWaalsContact O-N 3.14Å; V531-L535 PolarHBondContact O-N 3.4Å; V531-L535 VanDerWaalsContact O-N 3.1Å
532F86.1Confident83.2Confident4 Ų444.8 Ų44.82%0.01822%0.221CC..Hα-helixtrans-57.1-38.2168.9-75.3-71.4000111.4L217 W223 S224 L476 T528 L529 R536L217-F532 HydrophobicContact CD2-CZ 4.42Å; W223-F532 HydrophobicContact CZ3-CB 4.4Å; S224-F532 WeakPolarHBondContact CB-O 3.42Å; L476-F532 HydrophobicContact CD1-CD1 3.73Å; L476-F532 HydrophobicContact CD1-CD2 4.44Å; L476-F532 HydrophobicContact CD1-CE1 3.74Å; L476-F532 HydrophobicContact CD1-CE2 4.45Å; L476-F532 HydrophobicContact CD1-CG 4.09Å; L476-F532 HydrophobicContact CD1-CZ 4.11Å; L476-F532 HydrophobicContact CD2-CD1 3.98Å; L476-F532 HydrophobicContact CD2-CE1 4.12Å; L476-F532 HydrophobicContact CG-CD1 4.48Å; L476-F532 HydrophobicContact CG-CE1 4.39Å; T528-F532 WeakPolarHBondContact O-CD2 3.3Å; T528-F532 PolarHBondContact O-N 2.72Å; T528-F532 VanDerWaalsContact O-N 3.07Å; T528-F532 WeakPolarHBondContact OG1-CE2 3.12Å; L529-F532 PolarHBondContact O-N 3.04Å; F532-R536 WeakPolarHBondContact O-CB 3.5Å; F532-R536 PolarHBondContact O-N 3.09Å; F532-R536 VanDerWaalsContact O-N 3.15Å
533L83.5Confident82.6Confident70 Ų7045.6 Ų45.637%0.36622%0.219SC..Hα-helixtrans-71.3-35.9176.9-165.5144.8000112.3W223 L529 P530 V531 R536 L537W223-L533 HydrophobicContact CH2-CD1 4.49Å; L529-L533 WeakPolarHBondContact O-CB 3.05Å; L529-L533 PolarHBondContact O-N 3.38Å; L529-L533 VanDerWaalsContact O-N 3.12Å; P530-L533 PolarHBondContact O-N 3.26Å; V531-L533 PolarHBondContact O-N 2.98Å; L533-R536 PolarHBondContact O-N 2.68Å; L533-L537 HydrophobicContact CD2-CD1 3.54Å; L533-L537 HydrophobicContact CD2-CG 4.05Å; L533-L537 WeakPolarHBondContact O-CG 3.23Å; L533-L537 PolarHBondContact O-N 2.85Å
534L86.5Confident81.8Confident5 Ų544.7 Ų44.73%0.02621%0.21CC..Hα-helixtrans-57.9-49.6172.9-171.180.7000111.5A432 F469 A472 P530 V531 R536 L537 A538A432-L534 HydrophobicContact CB-CB 4.24Å; A432-L534 HydrophobicContact CB-CD1 4.04Å; A432-L534 HydrophobicContact CB-CD2 4.27Å; A432-L534 HydrophobicContact CB-CG 4.43Å; F469-L534 HydrophobicContact CD1-CD1 3.79Å; F469-L534 HydrophobicContact CD1-CG 4.18Å; F469-L534 HydrophobicContact CE1-CD1 3.67Å; F469-L534 HydrophobicContact CE1-CG 4.38Å; A472-L534 HydrophobicContact CB-CD2 3.7Å; A472-L534 HydrophobicContact CB-CG 4Å; P530-L534 WeakPolarHBondContact O-CB 3.41Å; P530-L534 PolarHBondContact O-N 2.73Å; V531-L534 WeakPolarHBondContact O-CB 3.37Å; V531-L534 PolarHBondContact O-N 2.88Å; V531-L534 VanDerWaalsContact O-N 3.14Å; L534-R536 PolarHBondContact O-N 3.34Å; L534-L537 PolarHBondContact O-N 3.34Å; L534-A538 WeakPolarHBondContact O-CB 3.37Å; L534-A538 PolarHBondContact O-N 3.48Å
535L86.9Confident80.9Confident21 Ų2149.6 Ų49.611%0.1123%0.232CC..Hα-helixtrans-65.3-38.8178.1-17858.4000111.9A472 P473 L476 V531 L537 A538 R539A472-L535 HydrophobicContact CB-CD1 4.4Å; P473-L535 HydrophobicContact CB-CD1 4.11Å; L476-L535 HydrophobicContact CD2-CB 4.45Å; L476-L535 HydrophobicContact CD2-CD2 3.47Å; L476-L535 VanDerWaalsContact CD2-CD2 3.47Å; V531-L535 PolarHBondContact O-N 3.4Å; V531-L535 VanDerWaalsContact O-N 3.1Å; L535-L537 PolarHBondContact O-N 3.46Å; L535-A538 PolarHBondContact O-N 3.19Å; L535-R539 HydrophobicContact CD1-CG 4.28Å; L535-R539 WeakPolarHBondContact O-CB 3.27Å; L535-R539 PolarHBondContact O-N 2.84Å
536R85.6Confident80.4Confident75 Ų7553.1 Ų53.128%0.28326%0.258SS..Hα-helixtrans-61.5-42.7175.3-171178.4170.4102-11.2112.4W223 S224 Y226 F532 L533 L534 R540W223-R536 VanDerWaalsContact CE2-NH1 3.34Å; W223-R536 VanDerWaalsContact CH2-CD 3.43Å; W223-R536 HydrophobicContact CZ3-CB 4.39Å; W223-R536 PolarHBondContact O-NH1 2.88Å; S224-R536 VanDerWaalsContact O-CA 3.23Å; S224-R536 WeakPolarHBondContact O-CA 3.38Å; S224-R536 PolarHBondContact O-N 2.95Å; Y226-R536 HydrophobicContact CD2-CG 4.29Å; F532-R536 WeakPolarHBondContact O-CB 3.5Å; F532-R536 PolarHBondContact O-N 3.09Å; F532-R536 VanDerWaalsContact O-N 3.15Å; L533-R536 PolarHBondContact O-N 2.68Å; L534-R536 PolarHBondContact O-N 3.34Å; R536-R540 WeakPolarHBondContact O-CB 3.26Å; R536-R540 PolarHBondContact O-N 3.24Å
537L82.9Confident79.5Confident23 Ų2348.8 Ų48.812%0.1224%0.235CC..Hα-helixtrans-67.5-42.4176.1-72.1177.7000111.7I425 S428 F469 L533 L534 L535 R540 E541I425-L537 HydrophobicContact CG2-CD2 4.19Å; S428-L537 WeakPolarHBondContact OG-CD1 3.35Å; F469-L537 HydrophobicContact CE1-CB 4.36Å; F469-L537 HydrophobicContact CZ-CB 4.39Å; L533-L537 HydrophobicContact CD2-CD1 3.54Å; L533-L537 HydrophobicContact CD2-CG 4.05Å; L533-L537 WeakPolarHBondContact O-CG 3.23Å; L533-L537 PolarHBondContact O-N 2.85Å; L534-L537 PolarHBondContact O-N 3.34Å; L535-L537 PolarHBondContact O-N 3.46Å; L537-R540 PolarHBondContact O-N 3.46Å; L537-E541 WeakPolarHBondContact O-CB 3.28Å; L537-E541 PolarHBondContact O-N 3.25Å
538A83.1Confident78.5Confident16 Ų1649.8 Ų49.813%0.13224%0.244CC..Hα-helixtrans-61.3-47.6175.400000112.1F469 L534 L535 E541 K542F469-A538 HydrophobicContact CB-CB 3.92Å; F469-A538 HydrophobicContact CD1-CB 4.09Å; F469-A538 HydrophobicContact CG-CB 4.07Å; L534-A538 WeakPolarHBondContact O-CB 3.37Å; L534-A538 PolarHBondContact O-N 3.48Å; L535-A538 PolarHBondContact O-N 3.19Å; A538-E541 PolarHBondContact O-N 2.85Å; A538-K542 WeakPolarHBondContact O-CB 3.37Å; A538-K542 PolarHBondContact O-N 3.49Å
539R83.6Confident77Confident137 Ų13754.3 Ų54.352%0.51727%0.269SS..Hα-helixtrans-61.5-43.4174.8-82-71.8-168.51743.9112.2L535 K542 F543L535-R539 HydrophobicContact CD1-CG 4.28Å; L535-R539 WeakPolarHBondContact O-CB 3.27Å; L535-R539 PolarHBondContact O-N 2.84Å; R539-K542 PolarHBondContact O-N 3.03Å; R539-F543 WeakPolarHBondContact O-CB 3.46Å; R539-F543 PolarHBondContact O-N 2.86Å
540R78.2Confident75.6Confident23 Ų2358.7 Ų58.79%0.08728%0.281CS..Hα-helixtrans-64.5-45.6177.8174.3179.4146.8-142.4-16.6111.9Y226 S389 D393 R536 L537 K542 F543 Y544Y226-R540 HydrophobicContact CD1-CB 4.47Å; Y226-R540 HydrophobicContact CD2-CB 3.9Å; Y226-R540 HydrophobicContact CD2-CG 4.38Å; Y226-R540 HydrophobicContact CE1-CB 4.41Å; Y226-R540 HydrophobicContact CE1-CG 4.34Å; Y226-R540 HydrophobicContact CE2-CB 3.83Å; Y226-R540 HydrophobicContact CE2-CG 3.79Å; Y226-R540 HydrophobicContact CG-CB 4.23Å; S389-R540 PolarHBondContact O-NH2 3.39Å; D393-R540 VanDerWaalsContact CG-CZ 3.42Å; D393-R540 VanDerWaalsContact CG-NH1 3.33Å; D393-R540 IonicContact OD1-CZ 2.69Å; D393-R540 IonicContact OD1-NE 2.72Å; D393-R540 IonicContact OD1-NH1 3.2Å; D393-R540 PolarHBondContact OD1-NH1 2.83Å; D393-R540 IonicContact OD1-NH2 3.97Å; D393-R540 PolarHBondContact OD1-NH2 3.22Å; D393-R540 IonicContact OD2-CZ 2.59Å; D393-R540 IonicContact OD2-NH1 3.94Å; D393-R540 PolarHBondContact OD2-NH1 2.86Å; D393-R540 IonicContact OD2-NH2 3.48Å; D393-R540 PolarHBondContact OD2-NH2 3.18Å; R536-R540 WeakPolarHBondContact O-CB 3.26Å; R536-R540 PolarHBondContact O-N 3.24Å; L537-R540 PolarHBondContact O-N 3.46Å; R540-K542 VanDerWaalsContact C-N 3.33Å; R540-F543 WeakPolarHBondContact O-CB 3.22Å; R540-F543 PolarHBondContact O-N 3.02Å; R540-Y544 HydrophobicContact CG-CD2 3.63Å; R540-Y544 HydrophobicContact CG-CE2 3.62Å; R540-Y544 VanDerWaalsContact O-CD2 3.25Å; R540-Y544 WeakPolarHBondContact O-CD2 3.38Å; R540-Y544 PolarHBondContact O-N 3.32Å
541E75.3Confident74.5Confident42 Ų4261.5 Ų61.520%0.19629%0.292CS..Hα-helixtrans-63.2-43.4178.4-165.4158.6-145.700110.1R465 F469 L537 A538 F543 Y544 E545R465-E541 IonicContact CZ-OE1 4Å; R465-E541 IonicContact CZ-OE2 3.4Å; R465-E541 IonicContact NH1-OE1 2.88Å; R465-E541 PolarHBondContact NH1-OE1 3.39Å; R465-E541 IonicContact NH2-OE1 3.19Å; R465-E541 PolarHBondContact NH2-OE1 3.26Å; R465-E541 IonicContact NH2-OE2 3.78Å; R465-E541 PolarHBondContact NH2-OE2 3.11Å; F469-E541 WeakPolarHBondContact CE2-OE2 3.49Å; L537-E541 WeakPolarHBondContact O-CB 3.28Å; L537-E541 PolarHBondContact O-N 3.25Å; A538-E541 PolarHBondContact O-N 2.85Å; E541-F543 VanDerWaalsContact C-N 3.33Å; E541-F543 PolarHBondContact O-N 2.8Å; E541-Y544 CarbonylContact O-C 3.51Å; E541-Y544 PolarHBondContact O-N 3.45Å; E541-E545 WeakPolarHBondContact O-CG 3.47Å; E541-E545 PolarHBondContact O-N 3.08Å
542K76.9Confident73.1Confident150 Ų15063 Ų6365%0.65230%0.297SS*.Hα-helixtrans-60.9-36.2173.3-154.8170.8-170.51760113.3A538 R539 R540 E545 S546A538-K542 WeakPolarHBondContact O-CB 3.37Å; A538-K542 PolarHBondContact O-N 3.49Å; R539-K542 PolarHBondContact O-N 3.03Å; R540-K542 VanDerWaalsContact C-N 3.33Å; K542-E545 PolarHBondContact O-N 2.99Å; K542-S546 WeakPolarHBondContact O-CB 3.36Å; K542-S546 PolarHBondContact O-N 3.28Å; K542-S546 PolarHBondContact O-OG 3.4Å
543F72.8Confident71.5Confident76 Ų7666.9 Ų66.933%0.33332%0.315SS..Hα-helixtrans-69.1-40.8173.2174.9-93.1000112.8Y226 R539 R540 E541 E545 S546 L547Y226-F543 HydrophobicContact CD1-CB 4.38Å; Y226-F543 HydrophobicContact CD1-CG 4.36Å; Y226-F543 HydrophobicContact CE1-CB 4.37Å; Y226-F543 AromaticContact CE1-CD1 3.8Å; Y226-F543 HydrophobicContact CE1-CD1 3.8Å; Y226-F543 HydrophobicContact CE1-CE1 4.29Å; Y226-F543 HydrophobicContact CE1-CG 4.07Å; R539-F543 WeakPolarHBondContact O-CB 3.46Å; R539-F543 PolarHBondContact O-N 2.86Å; R540-F543 WeakPolarHBondContact O-CB 3.22Å; R540-F543 PolarHBondContact O-N 3.02Å; E541-F543 VanDerWaalsContact C-N 3.33Å; E541-F543 PolarHBondContact O-N 2.8Å; F543-E545 VanDerWaalsContact C-N 3.26Å; F543-E545 PolarHBondContact O-N 3.43Å; F543-S546 WeakPolarHBondContact CA-OG 3.38Å; F543-S546 PolarHBondContact O-N 3.44Å; F543-S546 PolarHBondContact O-OG 3.03Å; F543-S546 VanDerWaalsContact O-OG 3.08Å; F543-L547 HydrophobicContact CD1-CD1 4.19Å; F543-L547 HydrophobicContact CE1-CD1 3.76Å; F543-L547 HydrophobicContact CZ-CD1 4.3Å; F543-L547 PolarHBondContact O-N 2.65Å
544Y67.8Low70Confident32 Ų3271.8 Ų71.813%0.12533%0.329CS..Hα-helixtrans-70.9-22.8174.2-81.1-70.9000112.7V392 R540 E541 L547 R552V392-Y544 HydrophobicContact CB-CE1 4.47Å; V392-Y544 HydrophobicContact CG1-CE1 4.28Å; V392-Y544 HydrophobicContact CG2-CE1 4.15Å; R540-Y544 HydrophobicContact CG-CD2 3.63Å; R540-Y544 HydrophobicContact CG-CE2 3.62Å; R540-Y544 VanDerWaalsContact O-CD2 3.25Å; R540-Y544 WeakPolarHBondContact O-CD2 3.38Å; R540-Y544 PolarHBondContact O-N 3.32Å; E541-Y544 CarbonylContact O-C 3.51Å; E541-Y544 PolarHBondContact O-N 3.45Å; Y544-L547 HydrophobicContact CD1-CD1 4Å; Y544-L547 HydrophobicContact CE1-CD1 4.39Å; Y544-R552 PolarHBondContact O-NH2 3.37Å
545E67Low68.3Low106 Ų10677.8 Ų77.850%0.49535%0.351SS..Hα-helixtrans-80.2-22.6168.9-71.8-168.6136.500114K386 E541 K542 F543K386-E545 IonicContact NZ-OE1 3.93Å; K386-E545 PolarHBondContact NZ-OE1 3.23Å; E541-E545 WeakPolarHBondContact O-CG 3.47Å; E541-E545 PolarHBondContact O-N 3.08Å; K542-E545 PolarHBondContact O-N 2.99Å; F543-E545 VanDerWaalsContact C-N 3.26Å; F543-E545 PolarHBondContact O-N 3.43Å
546S70.4Confident66.5Low87 Ų8778.5 Ų78.561%0.60836%0.355SS*.Hα-helixtrans-92.2-4.7179.670.90000115.1K542 F543K542-S546 WeakPolarHBondContact O-CB 3.36Å; K542-S546 PolarHBondContact O-N 3.28Å; K542-S546 PolarHBondContact O-OG 3.4Å; F543-S546 WeakPolarHBondContact CA-OG 3.38Å; F543-S546 PolarHBondContact O-N 3.44Å; F543-S546 PolarHBondContact O-OG 3.03Å; F543-S546 VanDerWaalsContact O-OG 3.08Å
547L63.7Low64.6Low19 Ų1980.5 Ų80.510%0.09937%0.371CS..SBendtrans-72.1128.8174.9-97150000110.5F543 Y544 E551 R552F543-L547 HydrophobicContact CD1-CD1 4.19Å; F543-L547 HydrophobicContact CE1-CD1 3.76Å; F543-L547 HydrophobicContact CZ-CD1 4.3Å; F543-L547 PolarHBondContact O-N 2.65Å; Y544-L547 HydrophobicContact CD1-CD1 4Å; Y544-L547 HydrophobicContact CE1-CD1 4.39Å; L547-E551 HydrophobicContact CD2-CB 3.7Å; L547-R552 HydrophobicContact CB-CG 4.22Å
548S64Low63Low51 Ų5183.4 Ų83.436%0.35739%0.394SS..  trans-63.1150.8175.666.60000111.3Y550 E551 R552S548-Y550 PolarHBondContact O-N 3.47Å; S548-E551 WeakPolarHBondContact CB-OE2 3.45Å; S548-E551 PolarHBondContact N-OE2 3.42Å; S548-E551 PolarHBondContact O-N 3.29Å; S548-E551 VanDerWaalsContact O-N 3.09Å; S548-E551 WeakPolarHBondContact OG-CB 3.46Å; S548-E551 VanDerWaalsContact OG-CD 3.29Å; S548-E551 WeakPolarHBondContact OG-CG 3.45Å; S548-E551 PolarHBondContact OG-N 3.46Å; S548-E551 PolarHBondContact OG-OE2 2.96Å; S548-R552 PolarHBondContact O-N 2.96Å
549D53.5Low61.1Low95 Ų9590 Ų9051%0.50842%0.416SS..Hα-helixtrans-60.7-32.8-179.7-73.6-38.6000111.8R552 Q553D549-R552 WeakPolarHBondContact O-CB 3.4Å; D549-R552 PolarHBondContact O-N 2.71Å; D549-R552 IonicContact OD1-NH1 2.82Å; D549-Q553 WeakPolarHBondContact O-CB 3.35Å; D549-Q553 PolarHBondContact O-N 2.89Å
550Y52.4Low58.8Low166 Ų16687 Ų8765%0.65143%0.427SS*.Hα-helixtrans-65.6-43.9172.5-179.8-107.2000113.2S548 R552 Q553 R554S548-Y550 PolarHBondContact O-N 3.47Å; Y550-R552 VanDerWaalsContact C-N 3.34Å; Y550-Q553 WeakPolarHBondContact O-CB 3.26Å; Y550-Q553 PolarHBondContact O-N 3.22Å; Y550-R554 WeakPolarHBondContact O-CB 3.11Å; Y550-R554 PolarHBondContact O-N 3.39Å
551E59.8Low57Low91 Ų9191.2 Ų91.243%0.42546%0.456SS..Hα-helixtrans-69.2-32.2176.3-71168.8115.400112.7L547 S548 R555L547-E551 HydrophobicContact CD2-CB 3.7Å; S548-E551 WeakPolarHBondContact CB-OE2 3.45Å; S548-E551 PolarHBondContact N-OE2 3.42Å; S548-E551 PolarHBondContact O-N 3.29Å; S548-E551 VanDerWaalsContact O-N 3.09Å; S548-E551 WeakPolarHBondContact OG-CB 3.46Å; S548-E551 VanDerWaalsContact OG-CD 3.29Å; S548-E551 WeakPolarHBondContact OG-CG 3.45Å; S548-E551 PolarHBondContact OG-N 3.46Å; S548-E551 PolarHBondContact OG-OE2 2.96Å; E551-R555 WeakPolarHBondContact O-CB 3.12Å; E551-R555 WeakPolarHBondContact O-CG 3.42Å; E551-R555 PolarHBondContact O-N 3.45Å; E551-R555 VanDerWaalsContact O-N 3.07Å
552R56.1Low55Low35 Ų3595.4 Ų95.413%0.13247%0.474CS..Hα-helixtrans-59.4-54.5165.9-86.31781721770.6110.1V387 Y544 L547 S548 D549 Y550 R554 R555 I556V387-R552 PolarHBondContact O-NH2 3.18Å; Y544-R552 PolarHBondContact O-NH2 3.37Å; L547-R552 HydrophobicContact CB-CG 4.22Å; S548-R552 PolarHBondContact O-N 2.96Å; D549-R552 WeakPolarHBondContact O-CB 3.4Å; D549-R552 PolarHBondContact O-N 2.71Å; D549-R552 IonicContact OD1-NH1 2.82Å; Y550-R552 VanDerWaalsContact C-N 3.34Å; R552-R554 VanDerWaalsContact C-N 3.33Å; R552-R554 PolarHBondContact O-N 2.97Å; R552-R555 CarbonylContact O-C 3.53Å; R552-R555 PolarHBondContact O-N 3.19Å; R552-I556 HydrophobicContact CB-CD1 4.42Å; R552-I556 WeakPolarHBondContact O-CB 3.07Å; R552-I556 WeakPolarHBondContact O-CD1 3.25Å; R552-I556 WeakPolarHBondContact O-CG1 3.27Å; R552-I556 PolarHBondContact O-N 2.86Å
553Q50.8Low52.8Low84 Ų8491.9 Ų91.939%0.39348%0.48SS..Hα-helixtrans-55.9-45.5179.6-13382.7-1700111.8D549 Y550 R555 I556 N557D549-Q553 WeakPolarHBondContact O-CB 3.35Å; D549-Q553 PolarHBondContact O-N 2.89Å; Y550-Q553 WeakPolarHBondContact O-CB 3.26Å; Y550-Q553 PolarHBondContact O-N 3.22Å; Q553-R555 PolarHBondContact O-N 3.05Å; Q553-I556 WeakPolarHBondContact O-CB 3.48Å; Q553-I556 PolarHBondContact O-N 3.14Å; Q553-N557 PolarHBondContact O-N 3.29Å
554R52.3Low50.8Low173 Ų17393.1 Ų93.165%0.65350%0.504SS*.Hα-helixtrans-63.9-41.7-180-168176.4-176.8-177.83.9112.1Y550 R552 I556 S558Y550-R554 WeakPolarHBondContact O-CB 3.11Å; Y550-R554 PolarHBondContact O-N 3.39Å; R552-R554 VanDerWaalsContact C-N 3.33Å; R552-R554 PolarHBondContact O-N 2.97Å; R554-I556 VanDerWaalsContact C-N 3.25Å; R554-I556 PolarHBondContact O-N 2.88Å; R554-S558 WeakPolarHBondContact O-CB 3.24Å; R554-S558 PolarHBondContact O-N 3.11Å; R554-S558 VanDerWaalsContact O-N 3.14Å
555R50.5Low49.3Very low131 Ų13195.9 Ų95.949%0.49453%0.528SS..Hα-helixtrans-79.51.9172.3-65.5-162.4-137.3-174.11.8114.4E551 R552 Q553 Y559E551-R555 WeakPolarHBondContact O-CB 3.12Å; E551-R555 WeakPolarHBondContact O-CG 3.42Å; E551-R555 PolarHBondContact O-N 3.45Å; E551-R555 VanDerWaalsContact O-N 3.07Å; R552-R555 CarbonylContact O-C 3.53Å; R552-R555 PolarHBondContact O-N 3.19Å; Q553-R555 PolarHBondContact O-N 3.05Å; R555-Y559 WeakPolarHBondContact O-CD2 3.31Å; R555-Y559 WeakPolarHBondContact O-CE2 3.37Å
556I48.9Very low47.5Very low36 Ų36100 Ų10019%0.18554%0.544CS..Hα-helixtrans-97.6-45.2171.3-78165.4000108.6V387 R552 Q553 R554 S558 Y559 F562V387-I556 HydrophobicContact CG2-CD1 4.36Å; R552-I556 HydrophobicContact CB-CD1 4.42Å; R552-I556 WeakPolarHBondContact O-CB 3.07Å; R552-I556 WeakPolarHBondContact O-CD1 3.25Å; R552-I556 WeakPolarHBondContact O-CG1 3.27Å; R552-I556 PolarHBondContact O-N 2.86Å; Q553-I556 WeakPolarHBondContact O-CB 3.48Å; Q553-I556 PolarHBondContact O-N 3.14Å; R554-I556 VanDerWaalsContact C-N 3.25Å; R554-I556 PolarHBondContact O-N 2.88Å; I556-S558 PolarHBondContact O-N 3.28Å; I556-Y559 PolarHBondContact O-N 3.17Å; I556-F562 HydrophobicContact CG2-CB 4.23Å; I556-F562 HydrophobicContact CG2-CD1 4.27Å; I556-F562 HydrophobicContact CG2-CD2 3.47Å; I556-F562 VanDerWaalsContact CG2-CD2 3.47Å; I556-F562 HydrophobicContact CG2-CE2 3.8Å; I556-F562 HydrophobicContact CG2-CG 3.72Å; I556-F562 HydrophobicContact CG2-CZ 4.33Å
557N46.8Very low45.8Very low117 Ų117102.7 Ų102.763%0.62656%0.557SS**Hα-helixtrans-66.7-35177.2-67.80.7000112.4Q553 Y559 G560Q553-N557 PolarHBondContact O-N 3.29Å; N557-Y559 PolarHBondContact O-N 2.91Å; N557-G560 PolarHBondContact O-N 3.38Å; N557-G560 VanDerWaalsContact O-N 3.13Å
558S50.2Low44.2Very low85 Ų85105.3 Ų105.359%0.59459%0.589SS**THydrogen-bonded Turntrans-67.5-0.8174.876.30000114.7R554 I556R554-S558 WeakPolarHBondContact O-CB 3.24Å; R554-S558 PolarHBondContact O-N 3.11Å; R554-S558 VanDerWaalsContact O-N 3.14Å; I556-S558 PolarHBondContact O-N 3.28Å
559Y43.1Very low42.5Very low154 Ų154108.1 Ų108.160%0.60462%0.616SS**THydrogen-bonded Turntrans-118.626.1174.2-66.2-103.6000112R555 I556 N557 T561R555-Y559 WeakPolarHBondContact O-CD2 3.31Å; R555-Y559 WeakPolarHBondContact O-CE2 3.37Å; I556-Y559 PolarHBondContact O-N 3.17Å; N557-Y559 PolarHBondContact O-N 2.91Å; Y559-T561 VanDerWaalsContact C-N 3.32Å; Y559-T561 PolarHBondContact O-N 3.19Å; Y559-T561 PolarHBondContact O-OG1 3.02Å
560G35Very low41.3Very low73 Ų73108 Ų10875%0.75364%0.637SS**SBendtrans62.17.1146.400000120.7N557N557-G560 PolarHBondContact O-N 3.38Å; N557-G560 VanDerWaalsContact O-N 3.13Å
561T40Very low40.1Very low113 Ų113103.3 Ų103.369%0.69364%0.639SS**  trans-137.15.8-166.646.40000116.8Y559 G563Y559-T561 VanDerWaalsContact C-N 3.32Å; Y559-T561 PolarHBondContact O-N 3.19Å; Y559-T561 PolarHBondContact O-OG1 3.02Å; T561-G563 PolarHBondContact O-N 2.86Å
562F32.5Very low38.8Very low130 Ų130105.3 Ų105.357%0.5766%0.657SS**  trans-93.880.1-176.9-71.8-87.9000113I556I556-F562 HydrophobicContact CG2-CB 4.23Å; I556-F562 HydrophobicContact CG2-CD1 4.27Å; I556-F562 HydrophobicContact CG2-CD2 3.47Å; I556-F562 VanDerWaalsContact CG2-CD2 3.47Å; I556-F562 HydrophobicContact CG2-CE2 3.8Å; I556-F562 HydrophobicContact CG2-CG 3.72Å; I556-F562 HydrophobicContact CG2-CZ 4.33Å
563G31.5Very low37.7Very low76 Ų76108.2 Ų108.278%0.78469%0.688SS**  trans-158.843.5-172.900000119.5T561T561-G563 PolarHBondContact O-N 2.86Å
564A30.8Very low37.1Very low102 Ų102107.9 Ų107.984%0.84369%0.692SS**  trans-170140.4157.100000116
565S35.2Very low36.4Very low90 Ų90103.1 Ų103.163%0.62969%0.69SS**  trans79.170.8148.5-145.70000122.3
566K29.9Very low35.8Very low191 Ų191106 Ų10683%0.8371%0.706SS**  32.5134.9127.3-70.1-179.9174.8179.30123.6
567T35.2Very low35.3Very low144 Ų144108.8 Ų108.888%0.88372%0.721SS**  trans62.1134.6145.3560000120.6
568G29.7Very low35Very low74 Ų74107.6 Ų107.676%0.76372%0.72SS**  cis178.6154.8-5.700000112.7
569A28.9Very low34.4Very low111 Ų111111.8 Ų111.892%0.91773%0.727SS**  trans58.6107.7170.500000120.9
570G27.1Very low34.4Very low93 Ų93105.5 Ų105.596%0.95971%0.706SS**SBendtrans106.21.6135.900000120.7
571G27.5Very low34.9Very low67 Ų67111.8 Ų111.869%0.69171%0.707SS**SBendtrans-162.2163.6-177.700000115.1A573G571-A573 PolarHBondContact O-N 3.26Å; G571-A573 VanDerWaalsContact O-N 3.09Å
572V33.2Very low35.4Very low132 Ų132113.8 Ų113.880%0.871%0.706SS**  trans-47.4111.2-178-174.10000111.4V574V572-V574 VanDerWaalsContact C-N 3.25Å; V572-V574 HydrophobicContact CB-CG2 4.35Å; V572-V574 HydrophobicContact CG1-CG2 3.72Å; V572-V574 PolarHBondContact O-N 3.02Å
573A32.6Very low36.2Very low96 Ų96114.4 Ų114.479%0.79371%0.709SS**  trans-74.176.5178.400000111.3G571G571-A573 PolarHBondContact O-N 3.26Å; G571-A573 VanDerWaalsContact O-N 3.09Å
574V37.7Very low36.8Very low77 Ų77112.9 Ų112.947%0.46769%0.689SS.*  trans-80135168.2-159.90000108.5V572 S580V572-V574 VanDerWaalsContact C-N 3.25Å; V572-V574 HydrophobicContact CB-CG2 4.35Å; V572-V574 HydrophobicContact CG1-CG2 3.72Å; V572-V574 PolarHBondContact O-N 3.02Å; V574-S580 VanDerWaalsContact CG1-CB 3.48Å; V574-S580 WeakPolarHBondContact CG1-OG 3.32Å
575A37.8Very low37.9Very low74 Ų74110.6 Ų110.661%0.61267%0.67SS**  trans-58155.3-173.400000113.4D577 S580A575-D577 PolarHBondContact O-N 2.87Å; A575-S580 PolarHBondContact O-OG 3.25Å
576K37.3Very low38.9Very low190 Ų190111.7 Ų111.783%0.82666%0.664SS**SBendtrans-56.96.8-167.1-77.5176.6172.7172.80117.8
577D39.5Very low40.1Very low95 Ų95105.9 Ų105.951%0.50864%0.644SS.*  trans-64.6133.2175.6-82-38.1000112.1A575 K579 S580 R581A575-D577 PolarHBondContact O-N 2.87Å; D577-K579 PolarHBondContact O-N 3.02Å; D577-S580 WeakPolarHBondContact O-CB 3.13Å; D577-S580 PolarHBondContact O-N 3.26Å; D577-S580 PolarHBondContact O-OG 3.3Å; D577-R581 PolarHBondContact O-N 3.47Å
578P41Very low41.4Very low93 Ų93105.3 Ų105.360%0.60463%0.631SS**Hα-helixtrans-62.8-16.9177.524.8-33.8000113.4K582P578-K582 WeakPolarHBondContact O-CG 3.46Å
579K37.2Very low43.1Very low172 Ų172107.8 Ų107.875%0.74862%0.619SS**Hα-helixtrans-78.6-27.9173.4-60.9-176.5-178.41800112.8D577 F583D577-K579 PolarHBondContact O-N 3.02Å; K579-F583 PolarHBondContact O-N 3.12Å
580S42.6Very low44.8Very low23 Ų23106.5 Ų106.516%0.16160%0.596CS.*Hα-helixtrans-76.5-40.9-179.7107.80000111.5V574 A575 D577 K582 F583 A584V574-S580 VanDerWaalsContact CG1-CB 3.48Å; V574-S580 WeakPolarHBondContact CG1-OG 3.32Å; A575-S580 PolarHBondContact O-OG 3.25Å; D577-S580 WeakPolarHBondContact O-CB 3.13Å; D577-S580 PolarHBondContact O-N 3.26Å; D577-S580 PolarHBondContact O-OG 3.3Å; S580-K582 VanDerWaalsContact C-N 3.3Å; S580-K582 PolarHBondContact O-N 2.91Å; S580-F583 PolarHBondContact O-N 2.99Å; S580-F583 VanDerWaalsContact O-N 3.14Å; S580-A584 PolarHBondContact O-N 3.49Å
581R46.4Very low46.5Very low205 Ų205105.4 Ų105.477%0.77457%0.573SS**Hα-helixtrans-56.4-40.5170.6-94.9-176.7169.9177.9-3.3112.6D577 A584 A585D577-R581 PolarHBondContact O-N 3.47Å; R581-A584 PolarHBondContact O-N 3.18Å; R581-A585 VanDerWaalsContact O-CB 3.3Å; R581-A585 WeakPolarHBondContact O-CB 3.23Å; R581-A585 PolarHBondContact O-N 3.43Å
582K49.7Very low48.5Very low155 Ų155106.5 Ų106.567%0.67456%0.563SS**Hα-helixtrans-62.3-41.1176.3-71.8176.7-177.3-178.80111.8P578 S580 F586P578-K582 WeakPolarHBondContact O-CG 3.46Å; S580-K582 VanDerWaalsContact C-N 3.3Å; S580-K582 PolarHBondContact O-N 2.91Å; K582-F586 VanDerWaalsContact O-CB 3.22Å; K582-F586 WeakPolarHBondContact O-CB 3.37Å; K582-F586 PolarHBondContact O-N 3.45Å
583F48.8Very low50.1Low143 Ų143104.2 Ų104.263%0.62754%0.543SS*.Hα-helixtrans-70-42.6176.5-172.1-100.8000112.4K579 S580 F586 V587K579-F583 PolarHBondContact O-N 3.12Å; S580-F583 PolarHBondContact O-N 2.99Å; S580-F583 VanDerWaalsContact O-N 3.14Å; F583-F586 PolarHBondContact O-N 3.43Å; F583-V587 HydrophobicContact CD1-CG2 4.12Å; F583-V587 HydrophobicContact CE1-CG2 3.74Å; F583-V587 HydrophobicContact CE2-CG2 4.39Å; F583-V587 HydrophobicContact CZ-CG2 3.9Å; F583-V587 WeakPolarHBondContact O-CG2 3.46Å; F583-V587 PolarHBondContact O-N 3.02Å
584A45.5Very low51.9Low43 Ų43102.6 Ų102.636%0.35552%0.523SS..Hα-helixtrans-61.4-47.5175.900000112S580 R581 F586 V587 E588S580-A584 PolarHBondContact O-N 3.49Å; R581-A584 PolarHBondContact O-N 3.18Å; A584-F586 VanDerWaalsContact C-N 3.31Å; A584-F586 PolarHBondContact O-N 2.95Å; A584-V587 PolarHBondContact O-N 3.38Å; A584-E588 WeakPolarHBondContact O-CB 3.41Å; A584-E588 PolarHBondContact O-N 3.46Å
585A54Low53.4Low54 Ų5499.1 Ų99.145%0.44650%0.502SS..Hα-helixtrans-65.1-32.3175.500000112.7R581 Y589R581-A585 VanDerWaalsContact O-CB 3.3Å; R581-A585 WeakPolarHBondContact O-CB 3.23Å; R581-A585 PolarHBondContact O-N 3.43Å; A585-Y589 WeakPolarHBondContact O-CB 2.97Å; A585-Y589 PolarHBondContact O-N 2.91Å
586F55.8Low55.1Low114 Ų11498 Ų9850%0.549%0.487SS..Hα-helixtrans-67.6-43.7172.4175.8-99.8000112K582 F583 A584 E588 Y589 L590K582-F586 VanDerWaalsContact O-CB 3.22Å; K582-F586 WeakPolarHBondContact O-CB 3.37Å; K582-F586 PolarHBondContact O-N 3.45Å; F583-F586 PolarHBondContact O-N 3.43Å; A584-F586 VanDerWaalsContact C-N 3.31Å; A584-F586 PolarHBondContact O-N 2.95Å; F586-E588 VanDerWaalsContact C-N 3.35Å; F586-Y589 PolarHBondContact O-N 2.89Å; F586-L590 HydrophobicContact CE1-CD2 4.21Å; F586-L590 HydrophobicContact CZ-CD2 4.49Å; F586-L590 WeakPolarHBondContact O-CB 3.32Å; F586-L590 PolarHBondContact O-N 3.2Å
587V55.1Low57.1Low69 Ų6995.1 Ų95.142%0.41847%0.472SS..Hα-helixtrans-65.6-38175.9170.80000111.2F583 A584 S591F583-V587 HydrophobicContact CD1-CG2 4.12Å; F583-V587 HydrophobicContact CE1-CG2 3.74Å; F583-V587 HydrophobicContact CE2-CG2 4.39Å; F583-V587 HydrophobicContact CZ-CG2 3.9Å; F583-V587 WeakPolarHBondContact O-CG2 3.46Å; F583-V587 PolarHBondContact O-N 3.02Å; A584-V587 PolarHBondContact O-N 3.38Å; V587-S591 WeakPolarHBondContact O-CB 3.41Å; V587-S591 PolarHBondContact O-N 2.95Å
588E63Low59.1Low131 Ų13191.8 Ų91.861%0.61245%0.453SS*.Hα-helixtrans-68.4-43.8174.5-172.3177-175.600112.3A584 F586 S591 N592A584-E588 WeakPolarHBondContact O-CB 3.41Å; A584-E588 PolarHBondContact O-N 3.46Å; F586-E588 VanDerWaalsContact C-N 3.35Å; E588-S591 PolarHBondContact O-N 3.46Å; E588-N592 WeakPolarHBondContact O-CB 3.48Å; E588-N592 PolarHBondContact O-N 3.32Å; E588-N592 PolarHBondContact O-ND2 2.92Å
589Y63.9Low61.1Low127 Ų12787.9 Ų87.950%0.49843%0.427SS..Hα-helixtrans-59.6-46.5172.1171.4-95.9000111.6A585 F586 N592 K593A585-Y589 WeakPolarHBondContact O-CB 2.97Å; A585-Y589 PolarHBondContact O-N 2.91Å; F586-Y589 PolarHBondContact O-N 2.89Å; Y589-N592 PolarHBondContact O-N 2.84Å; Y589-K593 HydrophobicContact CD1-CG 4.34Å; Y589-K593 HydrophobicContact CD2-CG 4.25Å; Y589-K593 HydrophobicContact CE1-CG 3.94Å; Y589-K593 HydrophobicContact CE2-CD 4.31Å; Y589-K593 VanDerWaalsContact CE2-CE 3.47Å; Y589-K593 HydrophobicContact CE2-CG 3.85Å; Y589-K593 HydrophobicContact CG-CG 4.48Å; Y589-K593 WeakPolarHBondContact O-CB 3.35Å; Y589-K593 VanDerWaalsContact O-CG 3.29Å; Y589-K593 WeakPolarHBondContact O-CG 3.48Å; Y589-K593 PolarHBondContact O-N 2.89Å; Y589-K593 WeakPolarHBondContact OH-CE 3.34Å
590L64.7Low63.2Low83 Ų8385.1 Ų85.144%0.43542%0.415SS..Hα-helixtrans-63.9-44.1178.6-173.366.1000110.7F586 K593 V594F586-L590 HydrophobicContact CE1-CD2 4.21Å; F586-L590 HydrophobicContact CZ-CD2 4.49Å; F586-L590 WeakPolarHBondContact O-CB 3.32Å; F586-L590 PolarHBondContact O-N 3.2Å; L590-K593 PolarHBondContact O-N 3.43Å; L590-V594 HydrophobicContact CD1-CG2 4.2Å; L590-V594 HydrophobicContact CG-CG2 4.25Å; L590-V594 VanDerWaalsContact O-CB 3.31Å; L590-V594 WeakPolarHBondContact O-CB 3.41Å; L590-V594 WeakPolarHBondContact O-CG2 3.36Å; L590-V594 PolarHBondContact O-N 3.24Å
591S63Low65.1Low70 Ų7087.3 Ų87.349%0.4943%0.428SS..Hα-helixtrans-60-47.4174.9-175.60000112.2V587 E588 K593 S595V587-S591 WeakPolarHBondContact O-CB 3.41Å; V587-S591 PolarHBondContact O-N 2.95Å; E588-S591 PolarHBondContact O-N 3.46Å; S591-K593 VanDerWaalsContact C-N 3.35Å; S591-K593 PolarHBondContact O-N 3.01Å; S591-S595 WeakPolarHBondContact O-CB 3.42Å; S591-S595 PolarHBondContact O-N 3.33Å; S591-S595 PolarHBondContact O-OG 3.1Å
592N69Low67Low90 Ų9077.6 Ų77.648%0.48139%0.391SS..Hα-helixtrans-65-35.2175.9-82.4-37.2000112.6E588 Y589 S595 V596E588-N592 WeakPolarHBondContact O-CB 3.48Å; E588-N592 PolarHBondContact O-N 3.32Å; E588-N592 PolarHBondContact O-ND2 2.92Å; Y589-N592 PolarHBondContact O-N 2.84Å; N592-S595 PolarHBondContact O-OG 3.49Å; N592-V596 WeakPolarHBondContact O-CG2 3.32Å; N592-V596 PolarHBondContact O-N 3.24Å
593K67.2Low68.7Low84 Ų8471.2 Ų71.237%0.36537%0.366SS..Hα-helixtrans-74.6-44.6176.4-73.2-69.7-177.8-179.50112.8Y589 L590 S591 S595 V596 Y597Y589-K593 HydrophobicContact CD1-CG 4.34Å; Y589-K593 HydrophobicContact CD2-CG 4.25Å; Y589-K593 HydrophobicContact CE1-CG 3.94Å; Y589-K593 HydrophobicContact CE2-CD 4.31Å; Y589-K593 VanDerWaalsContact CE2-CE 3.47Å; Y589-K593 HydrophobicContact CE2-CG 3.85Å; Y589-K593 HydrophobicContact CG-CG 4.48Å; Y589-K593 WeakPolarHBondContact O-CB 3.35Å; Y589-K593 VanDerWaalsContact O-CG 3.29Å; Y589-K593 WeakPolarHBondContact O-CG 3.48Å; Y589-K593 PolarHBondContact O-N 2.89Å; Y589-K593 WeakPolarHBondContact OH-CE 3.34Å; L590-K593 PolarHBondContact O-N 3.43Å; S591-K593 VanDerWaalsContact C-N 3.35Å; S591-K593 PolarHBondContact O-N 3.01Å; K593-S595 VanDerWaalsContact C-N 3.31Å; K593-S595 PolarHBondContact O-N 3.46Å; K593-V596 PolarHBondContact O-N 2.93Å; K593-Y597 HydrophobicContact CD-CE2 4.12Å; K593-Y597 VanDerWaalsContact O-CD2 3.24Å; K593-Y597 WeakPolarHBondContact O-CD2 3.44Å; K593-Y597 PolarHBondContact O-N 3.4Å; K593-Y597 VanDerWaalsContact O-N 3.11Å
594V70.4Confident70.4Confident62 Ų6268.6 Ų68.638%0.37636%0.361SS..Hα-helixtrans-58.9-45.1175.6169.30000109.9L590 V596 Y597 F598 F723L590-V594 HydrophobicContact CD1-CG2 4.2Å; L590-V594 HydrophobicContact CG-CG2 4.25Å; L590-V594 VanDerWaalsContact O-CB 3.31Å; L590-V594 WeakPolarHBondContact O-CB 3.41Å; L590-V594 WeakPolarHBondContact O-CG2 3.36Å; L590-V594 PolarHBondContact O-N 3.24Å; V594-V596 VanDerWaalsContact C-N 3.3Å; V594-V596 PolarHBondContact O-N 3.27Å; V594-Y597 PolarHBondContact O-N 3.1Å; V594-F598 HydrophobicContact CG1-CD2 4.34Å; V594-F598 WeakPolarHBondContact O-CB 3.24Å; V594-F598 PolarHBondContact O-N 3.38Å; V594-F723 HydrophobicContact CG1-CE1 4.25Å; V594-F723 HydrophobicContact CG1-CZ 4.15Å
595S69.6Low72.3Confident4 Ų468.2 Ų68.23%0.02836%0.355CS..Hα-helixtrans-65-27.1179.4650000114.8S591 N592 K593 F723 P726S591-S595 WeakPolarHBondContact O-CB 3.42Å; S591-S595 PolarHBondContact O-N 3.33Å; S591-S595 PolarHBondContact O-OG 3.1Å; N592-S595 PolarHBondContact O-OG 3.49Å; K593-S595 VanDerWaalsContact C-N 3.31Å; K593-S595 PolarHBondContact O-N 3.46Å; S595-F723 VanDerWaalsContact CB-CD1 3.5Å; S595-P726 WeakPolarHBondContact OG-CB 3.38Å
596V73.1Confident73.9Confident50 Ų5065.7 Ų65.730%0.30333%0.334SS..Hα-helixtrans-78.5-35.5173.6170.30000112.1N592 K593 V594 A730N592-V596 WeakPolarHBondContact O-CG2 3.32Å; N592-V596 PolarHBondContact O-N 3.24Å; K593-V596 PolarHBondContact O-N 2.93Å; V594-V596 VanDerWaalsContact C-N 3.3Å; V594-V596 PolarHBondContact O-N 3.27Å; V596-A730 HydrophobicContact CG2-CB 3.94Å
597Y79.4Confident75.4Confident130 Ų13061.5 Ų61.551%0.5132%0.316SS..Hα-helixtrans-95.8-9.2-175-66.7-57.3000115.3K593 V594 I599 F600K593-Y597 HydrophobicContact CD-CE2 4.12Å; K593-Y597 VanDerWaalsContact O-CD2 3.24Å; K593-Y597 WeakPolarHBondContact O-CD2 3.44Å; K593-Y597 PolarHBondContact O-N 3.4Å; K593-Y597 VanDerWaalsContact O-N 3.11Å; V594-Y597 PolarHBondContact O-N 3.1Å; Y597-I599 PolarHBondContact O-N 3.49Å; Y597-F600 HydrophobicContact CD1-CD2 4.13Å; Y597-F600 HydrophobicContact CD1-CE2 4.02Å; Y597-F600 PolarHBondContact O-N 3.04Å
598F82.6Confident76.9Confident26 Ų2661.6 Ų61.611%0.11432%0.317CS..Hα-helixtrans-57.6-27.1-176.7-158.1-94.2000113.9V594 F600 V601 V602 V715 L718 Q719 F723V594-F598 HydrophobicContact CG1-CD2 4.34Å; V594-F598 WeakPolarHBondContact O-CB 3.24Å; V594-F598 PolarHBondContact O-N 3.38Å; F598-F600 PolarHBondContact O-N 3.05Å; F598-V601 WeakPolarHBondContact O-CA 3.26Å; F598-V601 WeakPolarHBondContact O-CB 3.41Å; F598-V601 PolarHBondContact O-N 3.02Å; F598-V602 HydrophobicContact CD1-CG2 3.71Å; F598-V602 HydrophobicContact CE1-CG2 3.79Å; F598-V602 PolarHBondContact O-N 3.23Å; F598-V602 VanDerWaalsContact O-N 3.1Å; F598-V715 HydrophobicContact CE1-CG1 4.09Å; F598-V715 HydrophobicContact CZ-CG1 4.29Å; F598-L718 HydrophobicContact CE1-CB 4.21Å; F598-L718 HydrophobicContact CZ-CB 3.98Å; F598-L718 HydrophobicContact CZ-CD1 4.45Å; F598-Q719 HydrophobicContact CD1-CB 3.93Å; F598-Q719 HydrophobicContact CE1-CB 3.98Å; F598-F723 HydrophobicContact CB-CB 4.09Å; F598-F723 HydrophobicContact CB-CD2 3.83Å; F598-F723 HydrophobicContact CB-CE2 4.48Å; F598-F723 HydrophobicContact CB-CG 4.04Å; F598-F723 AromaticContact CD1-CD2 3.5Å; F598-F723 HydrophobicContact CD1-CD2 3.5Å; F598-F723 VanDerWaalsContact CD1-CD2 3.5Å; F598-F723 HydrophobicContact CD1-CE2 4.1Å; F598-F723 HydrophobicContact CD1-CG 4.39Å; F598-F723 AromaticContact CD2-CD2 3.56Å; F598-F723 HydrophobicContact CD2-CD2 3.56Å; F598-F723 AromaticContact CD2-CE2 3.41Å; F598-F723 HydrophobicContact CD2-CE2 3.41Å; F598-F723 VanDerWaalsContact CD2-CE2 3.41Å; F598-F723 HydrophobicContact CD2-CG 4.46Å; F598-F723 HydrophobicContact CD2-CZ 4.22Å; F598-F723 AromaticContact CE1-CD2 3.85Å; F598-F723 HydrophobicContact CE1-CD2 3.85Å; F598-F723 HydrophobicContact CE1-CE2 4.13Å; F598-F723 AromaticContact CE2-CD2 3.92Å; F598-F723 HydrophobicContact CE2-CD2 3.92Å; F598-F723 AromaticContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CE2 3.47Å; F598-F723 VanDerWaalsContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CZ 4.4Å; F598-F723 HydrophobicContact CG-CB 4.43Å; F598-F723 AromaticContact CG-CD2 3.33Å; F598-F723 HydrophobicContact CG-CD2 3.33Å; F598-F723 AromaticContact CG-CE2 3.74Å; F598-F723 HydrophobicContact CG-CE2 3.74Å; F598-F723 HydrophobicContact CG-CG 4.06Å; F598-F723 HydrophobicContact CZ-CD2 4.04Å; F598-F723 AromaticContact CZ-CE2 3.83Å; F598-F723 HydrophobicContact CZ-CE2 3.83Å
599I81.6Confident77.9Confident10 Ų1055.6 Ų55.65%0.05129%0.289CS..Hα-helixtrans-58.5-30.2176.8-162.4166.6000113.6Y597 S603 Y640 W648 W727Y597-I599 PolarHBondContact O-N 3.49Å; I599-S603 WeakPolarHBondContact O-CB 3.28Å; I599-S603 PolarHBondContact O-N 3.38Å; I599-S603 VanDerWaalsContact O-N 3.14Å; I599-S603 PolarHBondContact O-OG 3.27Å; I599-Y640 HydrophobicContact CD1-CE1 4.39Å; I599-Y640 WeakPolarHBondContact CD1-OH 3.31Å; I599-W648 HydrophobicContact CD1-CZ2 4.18Å; I599-W648 HydrophobicContact CG1-CZ2 3.8Å; I599-W727 HydrophobicContact CD1-CD2 4.21Å; I599-W727 HydrophobicContact CD1-CH2 4.15Å; I599-W727 HydrophobicContact CD1-CZ2 3.55Å
600F81.8Confident78.9Confident114 Ų11449.6 Ų49.650%0.527%0.266SS..Hα-helixtrans-71.3-39173.4-66.2-71.4000111.3Y597 F598 V602 S603 V604Y597-F600 HydrophobicContact CD1-CD2 4.13Å; Y597-F600 HydrophobicContact CD1-CE2 4.02Å; Y597-F600 PolarHBondContact O-N 3.04Å; F598-F600 PolarHBondContact O-N 3.05Å; F600-V602 PolarHBondContact O-N 2.86Å; F600-S603 PolarHBondContact O-N 3.28Å; F600-V604 WeakPolarHBondContact O-CB 3.27Å; F600-V604 VanDerWaalsContact O-CG2 3.32Å; F600-V604 WeakPolarHBondContact O-CG2 3.47Å; F600-V604 PolarHBondContact O-N 2.89Å
601V82.9Confident79.7Confident70 Ų7045.6 Ų45.642%0.42425%0.245SC..Hα-helixtrans-59.9-47.4175.7-176.40000110.3F598 S603 V604 V605F598-V601 WeakPolarHBondContact O-CA 3.26Å; F598-V601 WeakPolarHBondContact O-CB 3.41Å; F598-V601 PolarHBondContact O-N 3.02Å; V601-S603 VanDerWaalsContact C-N 3.33Å; V601-S603 PolarHBondContact O-N 3.29Å; V601-V604 PolarHBondContact O-N 3.31Å; V601-V605 HydrophobicContact CG1-CG2 4.42Å; V601-V605 WeakPolarHBondContact O-CG2 3.42Å; V601-V605 PolarHBondContact O-N 2.87Å
602V86.1Confident80.5Confident0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-61.4-42177.2-167.10000111.6F598 F600 V604 V605 L606 W648 V715 T716 Q719F598-V602 HydrophobicContact CD1-CG2 3.71Å; F598-V602 HydrophobicContact CE1-CG2 3.79Å; F598-V602 PolarHBondContact O-N 3.23Å; F598-V602 VanDerWaalsContact O-N 3.1Å; F600-V602 PolarHBondContact O-N 2.86Å; V602-V604 VanDerWaalsContact C-N 3.34Å; V602-V604 PolarHBondContact O-N 2.98Å; V602-V605 PolarHBondContact O-N 2.97Å; V602-L606 WeakPolarHBondContact O-CB 3.48Å; V602-L606 PolarHBondContact O-N 3.4Å; V602-W648 HydrophobicContact CB-CH2 4.14Å; V602-W648 HydrophobicContact CB-CZ3 4.06Å; V602-W648 HydrophobicContact CG1-CE3 3.7Å; V602-W648 HydrophobicContact CG1-CH2 3.88Å; V602-W648 HydrophobicContact CG1-CZ3 3.3Å; V602-V715 HydrophobicContact CB-CG1 4.32Å; V602-V715 HydrophobicContact CG1-CG1 4.36Å; V602-V715 HydrophobicContact CG2-CG1 3.92Å; V602-T716 HydrophobicContact CG1-CG2 3.93Å; V602-Q719 HydrophobicContact CG2-CB 3.74Å; V602-Q719 HydrophobicContact CG2-CG 3.94Å
603S84.5Confident80.8Confident22 Ų2243.2 Ų43.215%0.15423%0.227CC..Hα-helixtrans-69.3-30.9-179.5-54.80000112.9I599 F600 V601 L607 W626I599-S603 WeakPolarHBondContact O-CB 3.28Å; I599-S603 PolarHBondContact O-N 3.38Å; I599-S603 VanDerWaalsContact O-N 3.14Å; I599-S603 PolarHBondContact O-OG 3.27Å; F600-S603 PolarHBondContact O-N 3.28Å; V601-S603 VanDerWaalsContact C-N 3.33Å; V601-S603 PolarHBondContact O-N 3.29Å; S603-L607 PolarHBondContact O-N 3.47Å; S603-W626 PolarHBondContact O-NE1 3.23Å
604V84.4Confident81.1Confident87 Ų8742.2 Ų42.253%0.52723%0.234SC..Hα-helixtrans-73.6-45.3173168.70000111.1F600 V601 V602 L606 L607 V608F600-V604 WeakPolarHBondContact O-CB 3.27Å; F600-V604 VanDerWaalsContact O-CG2 3.32Å; F600-V604 WeakPolarHBondContact O-CG2 3.47Å; F600-V604 PolarHBondContact O-N 2.89Å; V601-V604 PolarHBondContact O-N 3.31Å; V602-V604 VanDerWaalsContact C-N 3.34Å; V602-V604 PolarHBondContact O-N 2.98Å; V604-L606 VanDerWaalsContact C-N 3.28Å; V604-L606 PolarHBondContact O-N 3.21Å; V604-L607 WeakPolarHBondContact O-CB 3.31Å; V604-L607 PolarHBondContact O-N 2.8Å; V604-L607 VanDerWaalsContact O-N 3.09Å; V604-V608 HydrophobicContact CG1-CG2 4.37Å; V604-V608 WeakPolarHBondContact O-CG2 3.37Å; V604-V608 PolarHBondContact O-N 3.36Å
605V86Confident81.4Confident36 Ų3640.2 Ų40.222%0.21822%0.223CC..Hα-helixtrans-61.6-38.1177176.10000110.9V601 V602 L607 V608 V609 L712 V715V601-V605 HydrophobicContact CG1-CG2 4.42Å; V601-V605 WeakPolarHBondContact O-CG2 3.42Å; V601-V605 PolarHBondContact O-N 2.87Å; V602-V605 PolarHBondContact O-N 2.97Å; V605-L607 PolarHBondContact O-N 3.45Å; V605-V608 PolarHBondContact O-N 2.92Å; V605-V609 HydrophobicContact CG1-CG2 4.32Å; V605-V609 WeakPolarHBondContact O-CB 3.49Å; V605-V609 VanDerWaalsContact O-CG2 3.28Å; V605-V609 WeakPolarHBondContact O-CG2 3.44Å; V605-V609 PolarHBondContact O-N 3.38Å; V605-L712 HydrophobicContact CG1-CB 4.49Å; V605-L712 HydrophobicContact CG1-CD1 3.99Å; V605-V715 HydrophobicContact CG2-CG1 4.46Å
606L88.7Confident82Confident0 Ų041.5 Ų41.50%023%0.229CC..Hα-helixtrans-63.6-38173.6-176.363.7000112.8V602 V604 S610 F622 W626 F647 L651 L712V602-L606 WeakPolarHBondContact O-CB 3.48Å; V602-L606 PolarHBondContact O-N 3.4Å; V604-L606 VanDerWaalsContact C-N 3.28Å; V604-L606 PolarHBondContact O-N 3.21Å; L606-S610 WeakPolarHBondContact O-CB 3.39Å; L606-S610 PolarHBondContact O-N 3.14Å; L606-S610 PolarHBondContact O-OG 3.35Å; L606-F622 HydrophobicContact CD1-CB 4.2Å; L606-F622 HydrophobicContact CD1-CD1 3.81Å; L606-F622 HydrophobicContact CD1-CG 4.4Å; L606-W626 HydrophobicContact CD2-CB 3.95Å; L606-W626 HydrophobicContact CG-CB 4.15Å; L606-F647 HydrophobicContact CD2-CZ 4.28Å; L606-L651 HydrophobicContact CD1-CD1 3.91Å; L606-L651 HydrophobicContact CD1-CD2 4.19Å; L606-L651 HydrophobicContact CD2-CD2 4.33Å; L606-L712 HydrophobicContact CD1-CD2 4.11Å
607L87.4Confident82.6Confident27 Ų2743.3 Ų43.314%0.14123%0.233CC..Hα-helixtrans-67.8-43.6175-178.161.9000111.7S603 V604 V605 S610 T611 F623 W626 I899S603-L607 PolarHBondContact O-N 3.47Å; V604-L607 WeakPolarHBondContact O-CB 3.31Å; V604-L607 PolarHBondContact O-N 2.8Å; V604-L607 VanDerWaalsContact O-N 3.09Å; V605-L607 PolarHBondContact O-N 3.45Å; L607-S610 WeakPolarHBondContact CA-OG 3.31Å; L607-S610 PolarHBondContact O-N 2.87Å; L607-S610 PolarHBondContact O-OG 3.3Å; L607-T611 HydrophobicContact CD1-CG2 4.01Å; L607-T611 PolarHBondContact O-N 2.88Å; L607-T611 VanDerWaalsContact O-N 3.14Å; L607-T611 PolarHBondContact O-OG1 3.16Å; L607-F623 HydrophobicContact CD1-CE2 4.28Å; L607-W626 HydrophobicContact CD1-CD2 4.01Å; L607-W626 HydrophobicContact CD1-CE3 4.24Å; L607-W626 HydrophobicContact CD1-CH2 4.24Å; L607-W626 HydrophobicContact CD1-CZ2 3.99Å; L607-W626 HydrophobicContact CD1-CZ3 4.35Å; L607-W626 HydrophobicContact CD2-CZ2 3.97Å; L607-W626 HydrophobicContact CG-CZ2 4.47Å; L607-I899 HydrophobicContact CD1-CD1 4.26Å; L607-I899 HydrophobicContact CD2-CG2 4.08Å
608V85.2Confident82.9Confident70 Ų7038.6 Ų38.642%0.42421%0.214SC..Hα-helixtrans-60.8-50177.3169.40000110.8V604 V605 S610 T611 C612V604-V608 HydrophobicContact CG1-CG2 4.37Å; V604-V608 WeakPolarHBondContact O-CG2 3.37Å; V604-V608 PolarHBondContact O-N 3.36Å; V605-V608 PolarHBondContact O-N 2.92Å; V608-S610 PolarHBondContact O-N 3.4Å; V608-T611 PolarHBondContact O-N 3.3Å; V608-C612 WeakPolarHBondContact O-CB 3.45Å; V608-C612 PolarHBondContact O-N 3.04Å
609V84.4Confident83Confident6 Ų637.4 Ų37.44%0.03621%0.209CC..Hα-helixtrans-63.1-27.4179.51740000112.4V605 N619 F622 A708 L712V605-V609 HydrophobicContact CG1-CG2 4.32Å; V605-V609 WeakPolarHBondContact O-CB 3.49Å; V605-V609 VanDerWaalsContact O-CG2 3.28Å; V605-V609 WeakPolarHBondContact O-CG2 3.44Å; V605-V609 PolarHBondContact O-N 3.38Å; V609-N619 PolarHBondContact O-OD1 3.45Å; V609-F622 HydrophobicContact CG1-CD2 4.19Å; V609-F622 HydrophobicContact CG1-CE2 4.27Å; V609-A708 HydrophobicContact CG2-CB 4.25Å; V609-L712 HydrophobicContact CB-CD2 4.49Å; V609-L712 HydrophobicContact CG1-CD2 4.22Å; V609-L712 HydrophobicContact CG2-CB 4.41Å
610S85.2Confident83.3Confident0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-89.1-8.9177.952.30000115.5L606 L607 V608L606-S610 WeakPolarHBondContact O-CB 3.39Å; L606-S610 PolarHBondContact O-N 3.14Å; L606-S610 PolarHBondContact O-OG 3.35Å; L607-S610 WeakPolarHBondContact CA-OG 3.31Å; L607-S610 PolarHBondContact O-N 2.87Å; L607-S610 PolarHBondContact O-OG 3.3Å; V608-S610 PolarHBondContact O-N 3.4Å
611T82.1Confident83.6Confident0 Ų036.4 Ų36.40%021%0.209CC..Hα-helixtrans-126.8-17.5-17455.20000115.8L607 V608 F623 P891L607-T611 HydrophobicContact CD1-CG2 4.01Å; L607-T611 PolarHBondContact O-N 2.88Å; L607-T611 VanDerWaalsContact O-N 3.14Å; L607-T611 PolarHBondContact O-OG1 3.16Å; V608-T611 PolarHBondContact O-N 3.3Å; T611-F623 HydrophobicContact CG2-CD2 4.22Å; T611-F623 HydrophobicContact CG2-CE2 4.39Å; T611-P891 WeakPolarHBondContact O-CD 3.32Å
612C78.5Confident84Confident46 Ų4633 Ų3331%0.31119%0.188SC..SBendtrans-89.3-0.7178.3-68.60000114.7V608V608-C612 WeakPolarHBondContact O-CB 3.45Å; V608-C612 PolarHBondContact O-N 3.04Å
613F75.8Confident84.1Confident63 Ų6333 Ų3328%0.27619%0.188SC..SBendtrans-120.2160.1176.6-63.4-74.5000110.2N619 A708F613-N619 WeakPolarHBondContact CB-ND2 3.41Å; F613-A708 HydrophobicContact CE2-CB 3.38Å; F613-A708 HydrophobicContact CZ-CB 3.47Å; F613-A708 VanDerWaalsContact CZ-CB 3.47Å
614A73.5Confident84.3Confident63 Ų6333.6 Ų33.652%0.52119%0.194SC..  trans-52145.8174.500000111.5N616 N619A614-N616 PolarHBondContact O-N 3.38Å; A614-N619 PolarHBondContact O-ND2 3.01Å
615P76.8Confident84.5Confident21 Ų2131.2 Ų31.214%0.13618%0.178CC..  trans-7566.9-17230.2-34.3000113.2I620 Q850 L851P615-I620 HydrophobicContact CB-CG1 4.48Å; P615-Q850 HydrophobicContact CB-CB 4.48Å; P615-Q850 HydrophobicContact CG-CB 3.62Å; P615-L851 WeakPolarHBondContact O-CD2 3.39Å
616N81.8Confident84.7Confident30 Ų3030 Ų3016%0.1617%0.17CC..  trans-74.2158.8171.6-59-13.9000110.8A614 Y618 N619 I620 A687A614-N616 PolarHBondContact O-N 3.38Å; N616-Y618 HydrophobicContact CB-CD1 4.2Å; N616-Y618 HydrophobicContact CB-CE1 4.04Å; N616-Y618 PolarHBondContact ND2-OH 3.48Å; N616-Y618 PolarHBondContact O-N 3.44Å; N616-Y618 VanDerWaalsContact O-N 3.11Å; N616-N619 PolarHBondContact O-N 2.92Å; N616-I620 PolarHBondContact O-N 3.3Å; N616-A687 WeakPolarHBondContact CA-O 3.31Å
617F85.1Confident84.5Confident88 Ų8830.1 Ų30.139%0.38617%0.171SC..Hα-helixtrans-51.7-38.5178.4-86.3-77.8000113.9L621 W684 A687 I688 L851 I853F617-L621 WeakPolarHBondContact O-CB 3.14Å; F617-L621 PolarHBondContact O-N 2.92Å; F617-W684 AromaticContact CE2-CZ3 3.99Å; F617-W684 HydrophobicContact CE2-CZ3 3.99Å; F617-W684 HydrophobicContact CZ-CZ3 4.16Å; F617-A687 HydrophobicContact CD2-CB 4.47Å; F617-A687 WeakPolarHBondContact CD2-O 3.25Å; F617-A687 HydrophobicContact CE2-CB 4.33Å; F617-A687 PolarHBondContact N-O 2.93Å; F617-I688 HydrophobicContact CD2-CG1 4.27Å; F617-L851 HydrophobicContact CZ-CD1 4.44Å; F617-I853 HydrophobicContact CE2-CD1 4.37Å
618Y85.9Confident84.5Confident31 Ų3131.9 Ų31.912%0.12218%0.18CC..Hα-helixtrans-70.5-32.2177.667-107.7000113.4N616 L621 F622 Y654 I688N616-Y618 HydrophobicContact CB-CD1 4.2Å; N616-Y618 HydrophobicContact CB-CE1 4.04Å; N616-Y618 PolarHBondContact ND2-OH 3.48Å; N616-Y618 PolarHBondContact O-N 3.44Å; N616-Y618 VanDerWaalsContact O-N 3.11Å; Y618-L621 PolarHBondContact O-N 3.42Å; Y618-F622 HydrophobicContact CD2-CD2 4.31Å; Y618-F622 HydrophobicContact CD2-CE2 4.08Å; Y618-F622 WeakPolarHBondContact O-CD2 3.36Å; Y618-F622 PolarHBondContact O-N 3.05Å; Y618-Y654 VanDerWaalsContact CA-OH 3.29Å; Y618-Y654 WeakPolarHBondContact CA-OH 3.3Å; Y618-Y654 VanDerWaalsContact CB-OH 3.24Å; Y618-Y654 WeakPolarHBondContact CB-OH 3.31Å; Y618-Y654 PolarHBondContact O-OH 3.03Å; Y618-I688 VanDerWaalsContact CD1-O 3.25Å; Y618-I688 WeakPolarHBondContact CD1-O 3.29Å
619N86.2Confident84.5Confident1 Ų128.7 Ų28.71%0.00516%0.161CC..Hα-helixtrans-73-41.7176.1-71.7-27.5000111.5V609 F613 A614 N616 L621 F622 F623V609-N619 PolarHBondContact O-OD1 3.45Å; F613-N619 WeakPolarHBondContact CB-ND2 3.41Å; A614-N619 PolarHBondContact O-ND2 3.01Å; N616-N619 PolarHBondContact O-N 2.92Å; N619-L621 VanDerWaalsContact C-N 3.25Å; N619-L621 PolarHBondContact O-N 3.23Å; N619-F622 PolarHBondContact O-N 2.97Å; N619-F623 PolarHBondContact O-N 3.34Å
620I87.3Confident84.6Confident20 Ų2029.5 Ų29.510%0.10317%0.165CC..Hα-helixtrans-59-39.7171.3-63.5170.6000110.2P615 N616 F623 A624 M847 L851P615-I620 HydrophobicContact CB-CG1 4.48Å; N616-I620 PolarHBondContact O-N 3.3Å; I620-F623 PolarHBondContact O-N 3.34Å; I620-A624 WeakPolarHBondContact O-CB 3.42Å; I620-A624 PolarHBondContact O-N 3.41Å; I620-M847 HydrophobicContact CG1-CB 4.47Å; I620-M847 HydrophobicContact CG1-CE 4.2Å; I620-L851 HydrophobicContact CD1-CD1 4.04Å; I620-L851 HydrophobicContact CD1-CD2 4.1Å; I620-L851 HydrophobicContact CD1-CG 4.09Å
621L88.6Confident84.5Confident83 Ų8332.7 Ų32.744%0.43518%0.181SC..Hα-helixtrans-69.1-37.7175.9-171.855.1000112.9F617 Y618 N619 F623 A624 L625 Y654F617-L621 WeakPolarHBondContact O-CB 3.14Å; F617-L621 PolarHBondContact O-N 2.92Å; Y618-L621 PolarHBondContact O-N 3.42Å; N619-L621 VanDerWaalsContact C-N 3.25Å; N619-L621 PolarHBondContact O-N 3.23Å; L621-F623 VanDerWaalsContact C-N 3.34Å; L621-F623 PolarHBondContact O-N 3.29Å; L621-A624 PolarHBondContact O-N 2.9Å; L621-L625 WeakPolarHBondContact O-CG 3.45Å; L621-L625 PolarHBondContact O-N 2.92Å; L621-Y654 HydrophobicContact CD2-CE1 4.5Å; L621-Y654 HydrophobicContact CD2-CE2 3.92Å
622F89.7Confident84.6Confident0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-61.1-40.5169.9-74.4-58.5000112L606 V609 Y618 N619 L625 W626 L651 Y654 T655 L712L606-F622 HydrophobicContact CD1-CB 4.2Å; L606-F622 HydrophobicContact CD1-CD1 3.81Å; L606-F622 HydrophobicContact CD1-CG 4.4Å; V609-F622 HydrophobicContact CG1-CD2 4.19Å; V609-F622 HydrophobicContact CG1-CE2 4.27Å; Y618-F622 HydrophobicContact CD2-CD2 4.31Å; Y618-F622 HydrophobicContact CD2-CE2 4.08Å; Y618-F622 WeakPolarHBondContact O-CD2 3.36Å; Y618-F622 PolarHBondContact O-N 3.05Å; N619-F622 PolarHBondContact O-N 2.97Å; F622-L625 PolarHBondContact O-N 2.99Å; F622-W626 PolarHBondContact O-N 3.02Å; F622-L651 HydrophobicContact CD1-CD1 3.98Å; F622-L651 HydrophobicContact CE1-CD1 3.9Å; F622-Y654 HydrophobicContact CD1-CD1 4.05Å; F622-Y654 AromaticContact CD1-CE1 3.77Å; F622-Y654 HydrophobicContact CD1-CE1 3.77Å; F622-Y654 HydrophobicContact CD2-CE1 4.33Å; F622-Y654 AromaticContact CE1-CD1 3.44Å; F622-Y654 HydrophobicContact CE1-CD1 3.44Å; F622-Y654 VanDerWaalsContact CE1-CD1 3.44Å; F622-Y654 AromaticContact CE1-CE1 3.4Å; F622-Y654 HydrophobicContact CE1-CE1 3.4Å; F622-Y654 VanDerWaalsContact CE1-CE1 3.4Å; F622-Y654 HydrophobicContact CE2-CE1 4Å; F622-Y654 HydrophobicContact CG-CE1 4.22Å; F622-Y654 AromaticContact CZ-CD1 3.83Å; F622-Y654 HydrophobicContact CZ-CD1 3.83Å; F622-Y654 AromaticContact CZ-CE1 3.52Å; F622-Y654 HydrophobicContact CZ-CE1 3.52Å; F622-T655 HydrophobicContact CE1-CG2 3.9Å; F622-T655 HydrophobicContact CZ-CG2 4Å; F622-L712 HydrophobicContact CD1-CD2 4.08Å; F622-L712 HydrophobicContact CE1-CD2 3.65Å; F622-L712 HydrophobicContact CZ-CD2 4.15Å
623F89Confident84.9Confident0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-65.4-42.5175.3-170.9-99.3000111.9L607 T611 N619 I620 L621 L625 W626 A627 A843 L844 M847 L895L607-F623 HydrophobicContact CD1-CE2 4.28Å; T611-F623 HydrophobicContact CG2-CD2 4.22Å; T611-F623 HydrophobicContact CG2-CE2 4.39Å; N619-F623 PolarHBondContact O-N 3.34Å; I620-F623 PolarHBondContact O-N 3.34Å; L621-F623 VanDerWaalsContact C-N 3.34Å; L621-F623 PolarHBondContact O-N 3.29Å; F623-L625 VanDerWaalsContact C-N 3.34Å; F623-L625 PolarHBondContact O-N 3.29Å; F623-W626 HydrophobicContact CD2-CE3 4.4Å; F623-W626 HydrophobicContact CE2-CE3 4.01Å; F623-W626 HydrophobicContact CE2-CZ3 4.08Å; F623-W626 HydrophobicContact CZ-CE3 4.31Å; F623-W626 HydrophobicContact CZ-CZ3 4.18Å; F623-W626 WeakPolarHBondContact O-CB 3.03Å; F623-W626 PolarHBondContact O-N 3.24Å; F623-W626 VanDerWaalsContact O-N 3.13Å; F623-A627 PolarHBondContact O-N 3.43Å; F623-A843 HydrophobicContact CE1-CB 3.77Å; F623-A843 HydrophobicContact CZ-CB 3.83Å; F623-L844 HydrophobicContact CD1-CD2 3.94Å; F623-L844 HydrophobicContact CE1-CD2 4.41Å; F623-M847 HydrophobicContact CB-CE 4.16Å; F623-M847 HydrophobicContact CB-SD 3.79Å; F623-M847 HydrophobicContact CD1-SD 3.53Å; F623-M847 VanDerWaalsContact CD1-SD 3.53Å; F623-M847 HydrophobicContact CD2-SD 3.94Å; F623-M847 HydrophobicContact CE1-SD 4.05Å; F623-M847 HydrophobicContact CE2-SD 4.41Å; F623-M847 HydrophobicContact CG-CE 4.37Å; F623-M847 HydrophobicContact CG-SD 3.46Å; F623-M847 WeakPolarHBondContact CG-SD 3.48Å; F623-M847 HydrophobicContact CZ-SD 4.46Å; F623-L895 HydrophobicContact CE2-CD1 4.26Å; F623-L895 HydrophobicContact CZ-CD1 4.31Å
624A88.2Confident85.3Confident33 Ų3333.2 Ų33.227%0.27318%0.177SC..Hα-helixtrans-61.5-40.3175.700000112I620 L621 W626 A627 L628I620-A624 WeakPolarHBondContact O-CB 3.42Å; I620-A624 PolarHBondContact O-N 3.41Å; L621-A624 PolarHBondContact O-N 2.9Å; A624-W626 VanDerWaalsContact C-N 3.34Å; A624-W626 PolarHBondContact O-N 3.41Å; A624-A627 PolarHBondContact O-N 3.24Å; A624-L628 WeakPolarHBondContact O-CB 3.45Å; A624-L628 PolarHBondContact O-N 2.89Å
625L88.6Confident85.8Confident37 Ų3736.9 Ų36.919%0.19418%0.182CC..Hα-helixtrans-64-37.1173.2-71.3171.1000112.2L621 F622 F623 N629 F647 L651 Y654L621-L625 WeakPolarHBondContact O-CG 3.45Å; L621-L625 PolarHBondContact O-N 2.92Å; F622-L625 PolarHBondContact O-N 2.99Å; F623-L625 VanDerWaalsContact C-N 3.34Å; F623-L625 PolarHBondContact O-N 3.29Å; L625-N629 WeakPolarHBondContact O-CB 3.34Å; L625-N629 PolarHBondContact O-N 2.82Å; L625-N629 VanDerWaalsContact O-N 3.09Å; L625-F647 HydrophobicContact CB-CE2 4.23Å; L625-F647 HydrophobicContact CB-CZ 4.24Å; L625-F647 HydrophobicContact CD2-CE2 4.14Å; L625-F647 WeakPolarHBondContact O-CE2 3.33Å; L625-F647 VanDerWaalsContact O-CZ 3.31Å; L625-F647 WeakPolarHBondContact O-CZ 3.19Å; L625-L651 HydrophobicContact CD1-CD1 4.16Å; L625-Y654 HydrophobicContact CD1-CD1 4.41Å
626W89.9Confident86.1Confident10 Ų1037.7 Ų37.74%0.03819%0.188CC..Hα-helixtrans-66.8-45.4173.8178.888.8000112.6S603 L606 L607 F622 F623 A624 N629 L630 F840 I899 I902S603-W626 PolarHBondContact O-NE1 3.23Å; L606-W626 HydrophobicContact CD2-CB 3.95Å; L606-W626 HydrophobicContact CG-CB 4.15Å; L607-W626 HydrophobicContact CD1-CD2 4.01Å; L607-W626 HydrophobicContact CD1-CE3 4.24Å; L607-W626 HydrophobicContact CD1-CH2 4.24Å; L607-W626 HydrophobicContact CD1-CZ2 3.99Å; L607-W626 HydrophobicContact CD1-CZ3 4.35Å; L607-W626 HydrophobicContact CD2-CZ2 3.97Å; L607-W626 HydrophobicContact CG-CZ2 4.47Å; F622-W626 PolarHBondContact O-N 3.02Å; F623-W626 HydrophobicContact CD2-CE3 4.4Å; F623-W626 HydrophobicContact CE2-CE3 4.01Å; F623-W626 HydrophobicContact CE2-CZ3 4.08Å; F623-W626 HydrophobicContact CZ-CE3 4.31Å; F623-W626 HydrophobicContact CZ-CZ3 4.18Å; F623-W626 WeakPolarHBondContact O-CB 3.03Å; F623-W626 PolarHBondContact O-N 3.24Å; F623-W626 VanDerWaalsContact O-N 3.13Å; A624-W626 VanDerWaalsContact C-N 3.34Å; A624-W626 PolarHBondContact O-N 3.41Å; W626-N629 WeakPolarHBondContact O-CB 3.49Å; W626-N629 PolarHBondContact O-N 2.98Å; W626-L630 HydrophobicContact CD2-CD1 4.3Å; W626-L630 HydrophobicContact CE3-CD1 4.4Å; W626-L630 HydrophobicContact CH2-CD1 3.65Å; W626-L630 HydrophobicContact CZ2-CD1 3.5Å; W626-L630 VanDerWaalsContact CZ2-CD1 3.5Å; W626-L630 HydrophobicContact CZ3-CD1 4.11Å; W626-L630 PolarHBondContact O-N 3.25Å; W626-F840 HydrophobicContact CZ3-CE1 4.09Å; W626-I899 HydrophobicContact CH2-CG2 4.29Å; W626-I902 HydrophobicContact CH2-CG2 4.05Å; W626-I902 HydrophobicContact CZ3-CG2 4.43Å
627A86Confident86Confident4 Ų439.7 Ų39.73%0.03320%0.195CC..Hα-helixtrans-61-45.7175.900000111.5F623 A624 N629 L630 I631 F840F623-A627 PolarHBondContact O-N 3.43Å; A624-A627 PolarHBondContact O-N 3.24Å; A627-N629 PolarHBondContact O-N 3.25Å; A627-L630 PolarHBondContact O-N 3.01Å; A627-L630 VanDerWaalsContact O-N 3.11Å; A627-I631 WeakPolarHBondContact O-CG1 3.19Å; A627-I631 PolarHBondContact O-N 3.31Å; A627-F840 HydrophobicContact CB-CD1 3.5Å; A627-F840 HydrophobicContact CB-CE1 3.62Å; A627-F840 HydrophobicContact CB-CG 4.24Å; A627-F840 HydrophobicContact CB-CZ 4.43Å
628L86.1Confident85.8Confident63 Ų6345.8 Ų45.833%0.3322%0.216SC..Hα-helixtrans-63-37.3179.4178.8141.3000112.8A624 I631 Y632 F647A624-L628 WeakPolarHBondContact O-CB 3.45Å; A624-L628 PolarHBondContact O-N 2.89Å; L628-I631 PolarHBondContact O-N 2.89Å; L628-Y632 HydrophobicContact CD2-CD2 3.94Å; L628-Y632 HydrophobicContact CD2-CE2 3.26Å; L628-Y632 HydrophobicContact CG-CD2 4.44Å; L628-Y632 HydrophobicContact CG-CE1 4.31Å; L628-Y632 HydrophobicContact CG-CE2 3.85Å; L628-Y632 WeakPolarHBondContact O-CD2 3Å; L628-Y632 VanDerWaalsContact O-CG 3.3Å; L628-Y632 PolarHBondContact O-N 3.14Å; L628-F647 HydrophobicContact CD2-CD2 4.47Å; L628-F647 HydrophobicContact CD2-CE2 4.22Å
629N85.6Confident85.7Confident3 Ų347.7 Ų47.72%0.01623%0.227CC..Hα-helixtrans-57.4-45.7170.1171.911.6000111.7L625 W626 A627 L633 Y640 F647L625-N629 WeakPolarHBondContact O-CB 3.34Å; L625-N629 PolarHBondContact O-N 2.82Å; L625-N629 VanDerWaalsContact O-N 3.09Å; W626-N629 WeakPolarHBondContact O-CB 3.49Å; W626-N629 PolarHBondContact O-N 2.98Å; A627-N629 PolarHBondContact O-N 3.25Å; N629-L633 PolarHBondContact O-N 3.14Å; N629-Y640 WeakPolarHBondContact OD1-CE2 3.33Å; N629-Y640 PolarHBondContact OD1-OH 3.48Å; N629-Y640 VanDerWaalsContact OD1-OH 3.08Å; N629-F647 HydrophobicContact CB-CE1 4.15Å; N629-F647 HydrophobicContact CB-CE2 4.26Å; N629-F647 HydrophobicContact CB-CZ 3.79Å
630L85.6Confident85.7Confident23 Ų2348.6 Ų48.612%0.1223%0.231CC..Hα-helixtrans-73.9-34.8177.7-67.9-177.2000113.9W626 A627 L633 K634 F840 I902 A906W626-L630 HydrophobicContact CD2-CD1 4.3Å; W626-L630 HydrophobicContact CE3-CD1 4.4Å; W626-L630 HydrophobicContact CH2-CD1 3.65Å; W626-L630 HydrophobicContact CZ2-CD1 3.5Å; W626-L630 VanDerWaalsContact CZ2-CD1 3.5Å; W626-L630 HydrophobicContact CZ3-CD1 4.11Å; W626-L630 PolarHBondContact O-N 3.25Å; A627-L630 PolarHBondContact O-N 3.01Å; A627-L630 VanDerWaalsContact O-N 3.11Å; L630-L633 HydrophobicContact CD2-CD2 4.37Å; L630-L633 WeakPolarHBondContact O-CB 3.38Å; L630-L633 PolarHBondContact O-N 3.4Å; L630-K634 PolarHBondContact O-N 3.3Å; L630-F840 HydrophobicContact CB-CZ 3.81Å; L630-F840 HydrophobicContact CD1-CZ 4.29Å; L630-I902 HydrophobicContact CD1-CG2 3.7Å; L630-A906 HydrophobicContact CD2-CB 4.43Å
631I83.6Confident85.5Confident68 Ų6852 Ų5235%0.34924%0.242SC..Hα-helixtrans-62.6-44173.6-69.2169.9000110.2A627 L628 L633 K634 F635 F840A627-I631 WeakPolarHBondContact O-CG1 3.19Å; A627-I631 PolarHBondContact O-N 3.31Å; L628-I631 PolarHBondContact O-N 2.89Å; I631-L633 VanDerWaalsContact C-N 3.32Å; I631-L633 PolarHBondContact O-N 2.64Å; I631-K634 PolarHBondContact O-N 2.87Å; I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.43Å; I631-F635 PolarHBondContact O-N 3.4Å; I631-F840 HydrophobicContact CD1-CD2 3.71Å; I631-F840 HydrophobicContact CD1-CE2 4.05Å; I631-F840 HydrophobicContact CD1-CG 4.26Å; I631-F840 HydrophobicContact CG1-CD2 3.57Å; I631-F840 HydrophobicContact CG1-CE2 3.4Å; I631-F840 VanDerWaalsContact CG1-CE2 3.4Å; I631-F840 HydrophobicContact CG1-CG 4.49Å; I631-F840 HydrophobicContact CG1-CZ 4.22Å
632Y85.3Confident85.2Confident80 Ų8051 Ų5131%0.31425%0.253SS..Hα-helixtrans-61.6-38.6175.3-68.1-21.1000112.7L628 S636 L639 L643L628-Y632 HydrophobicContact CD2-CD2 3.94Å; L628-Y632 HydrophobicContact CD2-CE2 3.26Å; L628-Y632 HydrophobicContact CG-CD2 4.44Å; L628-Y632 HydrophobicContact CG-CE1 4.31Å; L628-Y632 HydrophobicContact CG-CE2 3.85Å; L628-Y632 WeakPolarHBondContact O-CD2 3Å; L628-Y632 VanDerWaalsContact O-CG 3.3Å; L628-Y632 PolarHBondContact O-N 3.14Å; Y632-S636 CarbonylContact O-C 3.43Å; Y632-S636 PolarHBondContact O-N 2.99Å; Y632-L639 HydrophobicContact CD1-CD2 3.86Å; Y632-L639 HydrophobicContact CE1-CD2 4.41Å; Y632-L639 HydrophobicContact CG-CD2 3.93Å; Y632-L643 HydrophobicContact CD2-CD1 4.13Å; Y632-L643 HydrophobicContact CE2-CD1 3.87Å
633L84.6Confident85Confident18 Ų1854.5 Ų54.59%0.09427%0.271CS..Hα-helixtrans-62.3-43.2173.6177.563.5000112.2N629 L630 I631 F637 Y640 I910N629-L633 PolarHBondContact O-N 3.14Å; L630-L633 HydrophobicContact CD2-CD2 4.37Å; L630-L633 WeakPolarHBondContact O-CB 3.38Å; L630-L633 PolarHBondContact O-N 3.4Å; I631-L633 VanDerWaalsContact C-N 3.32Å; I631-L633 PolarHBondContact O-N 2.64Å; L633-F637 HydrophobicContact CD1-CD2 3.8Å; L633-F637 HydrophobicContact CD1-CE2 4.41Å; L633-Y640 HydrophobicContact CD1-CD1 4.16Å; L633-I910 HydrophobicContact CD2-CD1 4.3Å; L633-I910 HydrophobicContact CD2-CG1 4.38Å
634K83.9Confident84.8Confident21 Ų2154.6 Ų54.69%0.09127%0.272CS..Hα-helixtrans-70.2-39.8179-94.8-76.5-176.1177.20113.4L630 I631 S832 L905 S909L630-K634 PolarHBondContact O-N 3.3Å; I631-K634 PolarHBondContact O-N 2.87Å; K634-S832 PolarHBondContact NZ-OG 2.69Å; K634-L905 WeakPolarHBondContact CE-O 3.31Å; K634-L905 PolarHBondContact NZ-O 2.96Å; K634-S909 VanDerWaalsContact CE-OG 3.23Å; K634-S909 WeakPolarHBondContact CE-OG 3.44Å
635F83.5Confident84.7Confident141 Ų14159.1 Ų59.162%0.61828%0.283SS*.Hα-helixtrans-73.4-49.6-178.3-174.3-98.8000111.8I631I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.43Å; I631-F635 PolarHBondContact O-N 3.4Å
636S82.7Confident84.6Confident38 Ų3859.8 Ų59.827%0.26629%0.293SS..  trans-164114.1176-179.60000113.4Y632 R638 L639 Y640Y632-S636 CarbonylContact O-C 3.43Å; Y632-S636 PolarHBondContact O-N 2.99Å; S636-R638 PolarHBondContact O-N 3.16Å; S636-R638 VanDerWaalsContact O-N 3.09Å; S636-R638 PolarHBondContact OG-N 2.98Å; S636-L639 PolarHBondContact O-N 3.45Å; S636-Y640 PolarHBondContact O-N 3.15Å
637F80.5Confident84.5Confident71 Ų7160.3 Ų60.331%0.31130%0.296SS..Hα-helixtrans-55.7-28.2173.9-174.2-104.8000114L633 Y640 R641 T731 Y913L633-F637 HydrophobicContact CD1-CD2 3.8Å; L633-F637 HydrophobicContact CD1-CE2 4.41Å; F637-Y640 HydrophobicContact CD2-CD1 4.35Å; F637-Y640 HydrophobicContact CE2-CD1 4.36Å; F637-R641 PolarHBondContact O-N 3.44Å; F637-R641 VanDerWaalsContact O-N 3.17Å; F637-T731 HydrophobicContact CZ-CG2 4.29Å; F637-Y913 HydrophobicContact CB-CD2 4.46Å; F637-Y913 HydrophobicContact CB-CE2 4.36Å
638R81.5Confident84.5Confident217 Ų21760.1 Ų60.182%0.81929%0.294SS*.Hα-helixtrans-67.8-43.4176.1-70.1-175.1-179174.31.8111.8S636 G642S636-R638 PolarHBondContact O-N 3.16Å; S636-R638 VanDerWaalsContact O-N 3.09Å; S636-R638 PolarHBondContact OG-N 2.98Å; R638-G642 PolarHBondContact O-N 3.43Å
639L83.3Confident84.5Confident70 Ų7061.4 Ų61.437%0.36630%0.301SS..Hα-helixtrans-68.4-42.3178.7-177.2141.2000110.4Y632 S636 R641 G642 L643Y632-L639 HydrophobicContact CD1-CD2 3.86Å; Y632-L639 HydrophobicContact CE1-CD2 4.41Å; Y632-L639 HydrophobicContact CG-CD2 3.93Å; S636-L639 PolarHBondContact O-N 3.45Å; L639-R641 PolarHBondContact O-N 2.83Å; L639-G642 PolarHBondContact O-N 2.77Å; L639-L643 HydrophobicContact CD2-CD1 3.6Å; L639-L643 HydrophobicContact CG-CD1 4.09Å; L639-L643 PolarHBondContact O-N 2.98Å
640Y85.2Confident84.5Confident21 Ų2165.3 Ų65.38%0.08233%0.325CS..Hα-helixtrans-52.8-51.8173.7-178-116.7000113.1I599 N629 L633 S636 F637 G642 L643 A644 W727I599-Y640 HydrophobicContact CD1-CE1 4.39Å; I599-Y640 WeakPolarHBondContact CD1-OH 3.31Å; N629-Y640 WeakPolarHBondContact OD1-CE2 3.33Å; N629-Y640 PolarHBondContact OD1-OH 3.48Å; N629-Y640 VanDerWaalsContact OD1-OH 3.08Å; L633-Y640 HydrophobicContact CD1-CD1 4.16Å; S636-Y640 PolarHBondContact O-N 3.15Å; F637-Y640 HydrophobicContact CD2-CD1 4.35Å; F637-Y640 HydrophobicContact CE2-CD1 4.36Å; Y640-G642 VanDerWaalsContact C-N 3.27Å; Y640-G642 PolarHBondContact O-N 3.31Å; Y640-L643 PolarHBondContact O-N 3.46Å; Y640-A644 PolarHBondContact O-N 3.17Å; Y640-A644 VanDerWaalsContact O-N 3.07Å; Y640-W727 HydrophobicContact CE1-CH2 4.23Å; Y640-W727 HydrophobicContact CE1-CZ2 4.03Å
641R83Confident84.6Confident90 Ų9064.3 Ų64.334%0.3432%0.32SS..Hα-helixtrans-62.9-32-179.7-168.8-178.964.6129.13.8113F637 L639 W727F637-R641 PolarHBondContact O-N 3.44Å; F637-R641 VanDerWaalsContact O-N 3.17Å; L639-R641 PolarHBondContact O-N 2.83Å; R641-W727 HydrophobicContact CG-CH2 4.28Å; R641-W727 HydrophobicContact CG-CZ3 4.34Å
642G83.2Confident84.7Confident63 Ų6361.3 Ų61.365%0.64931%0.305SS*.Hα-helixtrans-72.5-40.2176.900000113.4R638 L639 Y640R638-G642 PolarHBondContact O-N 3.43Å; L639-G642 PolarHBondContact O-N 2.77Å; Y640-G642 VanDerWaalsContact C-N 3.27Å; Y640-G642 PolarHBondContact O-N 3.31Å
643L86Confident84.7Confident74 Ų7464.3 Ų64.339%0.38732%0.319SS..Hα-helixtrans-84.5-17.2-176.8-67.1177.4000114.2Y632 L639 Y640 Y645 A646 F647Y632-L643 HydrophobicContact CD2-CD1 4.13Å; Y632-L643 HydrophobicContact CE2-CD1 3.87Å; L639-L643 HydrophobicContact CD2-CD1 3.6Å; L639-L643 HydrophobicContact CG-CD1 4.09Å; L639-L643 PolarHBondContact O-N 2.98Å; Y640-L643 PolarHBondContact O-N 3.46Å; L643-Y645 VanDerWaalsContact C-N 3.35Å; L643-Y645 PolarHBondContact O-N 3.16Å; L643-A646 PolarHBondContact O-N 3.03Å; L643-A646 VanDerWaalsContact O-N 3.09Å; L643-F647 PolarHBondContact O-N 3.36Å
644A83.9Confident84.9Confident2 Ų265.7 Ų65.72%0.01732%0.324CS..Hα-helixtrans-52.7-43.2-172.800000114.5Y640 F647 W648 W727Y640-A644 PolarHBondContact O-N 3.17Å; Y640-A644 VanDerWaalsContact O-N 3.07Å; A644-F647 PolarHBondContact O-N 3.39Å; A644-W648 PolarHBondContact O-N 3.46Å; A644-W648 VanDerWaalsContact O-N 3.08Å; A644-W648 PolarHBondContact O-NE1 3.42Å; A644-W727 HydrophobicContact CB-CH2 4.07Å; A644-W727 HydrophobicContact CB-CZ3 4Å
645Y86.2Confident85Confident128 Ų12864.7 Ų64.750%0.50232%0.32SS..Hα-helixtrans-64.4-43.8179.1-175.2-95.2000112.2L643 W648 L649 L720 H724L643-Y645 VanDerWaalsContact C-N 3.35Å; L643-Y645 PolarHBondContact O-N 3.16Å; Y645-W648 PolarHBondContact O-N 2.9Å; Y645-L649 WeakPolarHBondContact O-CB 3.44Å; Y645-L649 PolarHBondContact O-N 2.92Å; Y645-L649 VanDerWaalsContact O-N 3.1Å; Y645-L720 HydrophobicContact CD2-CD2 4.1Å; Y645-L720 HydrophobicContact CE2-CD2 3.93Å; Y645-H724 AromaticContact CD2-CD2 3.78Å; Y645-H724 AromaticContact CD2-NE2 3.75Å
646A87.3Confident85Confident50 Ų5059.1 Ų59.141%0.41330%0.298SS..Hα-helixtrans-65.8-38.2176.900000111.8L643 L649 T650L643-A646 PolarHBondContact O-N 3.03Å; L643-A646 VanDerWaalsContact O-N 3.09Å; A646-L649 PolarHBondContact O-N 3.04Å; A646-T650 WeakPolarHBondContact O-CB 3.5Å; A646-T650 WeakPolarHBondContact O-CG2 3.31Å; A646-T650 PolarHBondContact O-N 3.01Å; A646-T650 PolarHBondContact O-OG1 3.41Å
647F87.5Confident85.1Confident21 Ų2161.4 Ų61.49%0.09231%0.306CS..Hα-helixtrans-61.6-47.5175.9-176.2-97.8000112.3L606 L625 L628 N629 L643 A644 L649 T650 L651L606-F647 HydrophobicContact CD2-CZ 4.28Å; L625-F647 HydrophobicContact CB-CE2 4.23Å; L625-F647 HydrophobicContact CB-CZ 4.24Å; L625-F647 HydrophobicContact CD2-CE2 4.14Å; L625-F647 WeakPolarHBondContact O-CE2 3.33Å; L625-F647 VanDerWaalsContact O-CZ 3.31Å; L625-F647 WeakPolarHBondContact O-CZ 3.19Å; L628-F647 HydrophobicContact CD2-CD2 4.47Å; L628-F647 HydrophobicContact CD2-CE2 4.22Å; N629-F647 HydrophobicContact CB-CE1 4.15Å; N629-F647 HydrophobicContact CB-CE2 4.26Å; N629-F647 HydrophobicContact CB-CZ 3.79Å; L643-F647 PolarHBondContact O-N 3.36Å; A644-F647 PolarHBondContact O-N 3.39Å; F647-L649 PolarHBondContact O-N 3.45Å; F647-T650 WeakPolarHBondContact CA-OG1 3.25Å; F647-T650 PolarHBondContact O-OG1 3.4Å; F647-L651 VanDerWaalsContact O-CB 3.31Å; F647-L651 WeakPolarHBondContact O-CB 3.43Å; F647-L651 PolarHBondContact O-N 2.96Å
648W86.5Confident85.3Confident0 Ų058.6 Ų58.60%030%0.295CS..Hα-helixtrans-68.4-34178.2-57.4125.3000112.9I599 V602 A644 Y645 L651 T652 Q719 L720I599-W648 HydrophobicContact CD1-CZ2 4.18Å; I599-W648 HydrophobicContact CG1-CZ2 3.8Å; V602-W648 HydrophobicContact CB-CH2 4.14Å; V602-W648 HydrophobicContact CB-CZ3 4.06Å; V602-W648 HydrophobicContact CG1-CE3 3.7Å; V602-W648 HydrophobicContact CG1-CH2 3.88Å; V602-W648 HydrophobicContact CG1-CZ3 3.3Å; A644-W648 PolarHBondContact O-N 3.46Å; A644-W648 VanDerWaalsContact O-N 3.08Å; A644-W648 PolarHBondContact O-NE1 3.42Å; Y645-W648 PolarHBondContact O-N 2.9Å; W648-L651 HydrophobicContact CE3-CD2 4.04Å; W648-L651 HydrophobicContact CZ3-CD2 4.08Å; W648-T652 PolarHBondContact O-N 3.46Å; W648-T652 VanDerWaalsContact O-N 3.13Å; W648-T652 PolarHBondContact O-OG1 3.33Å; W648-Q719 HydrophobicContact CD2-CG 4.45Å; W648-Q719 HydrophobicContact CG-CG 4.3Å; W648-L720 HydrophobicContact CB-CD1 4.44Å; W648-L720 HydrophobicContact CB-CD2 3.89Å; W648-L720 HydrophobicContact CB-CG 4.04Å
649L85.6Confident85.4Confident91 Ų9148.5 Ų48.548%0.47626%0.257SS..Hα-helixtrans-67.6-48.7175.9-176.765.8000111.9Y645 A646 F647 T652 F653Y645-L649 WeakPolarHBondContact O-CB 3.44Å; Y645-L649 PolarHBondContact O-N 2.92Å; Y645-L649 VanDerWaalsContact O-N 3.1Å; A646-L649 PolarHBondContact O-N 3.04Å; F647-L649 PolarHBondContact O-N 3.45Å; L649-T652 PolarHBondContact O-N 3.32Å; L649-F653 PolarHBondContact O-N 3.32Å
650T85.8Confident85.3Confident84 Ų8448.4 Ų48.452%0.51526%0.256SS..Hα-helixtrans-62.5-42178.346.40000111.8A646 F647 T652 F653 Y654A646-T650 WeakPolarHBondContact O-CB 3.5Å; A646-T650 WeakPolarHBondContact O-CG2 3.31Å; A646-T650 PolarHBondContact O-N 3.01Å; A646-T650 PolarHBondContact O-OG1 3.41Å; F647-T650 WeakPolarHBondContact CA-OG1 3.25Å; F647-T650 PolarHBondContact O-OG1 3.4Å; T650-T652 VanDerWaalsContact C-N 3.33Å; T650-T652 PolarHBondContact O-N 3.1Å; T650-F653 PolarHBondContact O-N 2.79Å; T650-Y654 WeakPolarHBondContact O-CB 3.29Å; T650-Y654 PolarHBondContact O-N 3.2Å
651L88.3Confident85.2Confident3 Ų349.4 Ų49.42%0.01627%0.269CS..Hα-helixtrans-58.6-43.4173.3-178.161000112.1L606 F622 L625 F647 W648 Y654 T655 L712 T716L606-L651 HydrophobicContact CD1-CD1 3.91Å; L606-L651 HydrophobicContact CD1-CD2 4.19Å; L606-L651 HydrophobicContact CD2-CD2 4.33Å; F622-L651 HydrophobicContact CD1-CD1 3.98Å; F622-L651 HydrophobicContact CE1-CD1 3.9Å; L625-L651 HydrophobicContact CD1-CD1 4.16Å; F647-L651 VanDerWaalsContact O-CB 3.31Å; F647-L651 WeakPolarHBondContact O-CB 3.43Å; F647-L651 PolarHBondContact O-N 2.96Å; W648-L651 HydrophobicContact CE3-CD2 4.04Å; W648-L651 HydrophobicContact CZ3-CD2 4.08Å; L651-Y654 PolarHBondContact O-N 3.24Å; L651-T655 PolarHBondContact O-N 2.95Å; L651-T655 PolarHBondContact O-OG1 3.2Å; L651-L712 HydrophobicContact CD1-CD2 4.4Å; L651-L712 HydrophobicContact CD2-CD1 4.47Å; L651-T716 HydrophobicContact CD2-CG2 3.7Å; L651-T716 HydrophobicContact CG-CG2 4.15Å
652T85.1Confident85.2Confident4 Ų445.4 Ų45.43%0.02526%0.255CS..Hα-helixtrans-71.2-33.2-178.4-48.80000112.7W648 L649 T650 T655 S656 F713 T716 M717W648-T652 PolarHBondContact O-N 3.46Å; W648-T652 VanDerWaalsContact O-N 3.13Å; W648-T652 PolarHBondContact O-OG1 3.33Å; L649-T652 PolarHBondContact O-N 3.32Å; T650-T652 VanDerWaalsContact C-N 3.33Å; T650-T652 PolarHBondContact O-N 3.1Å; T652-T655 WeakPolarHBondContact CA-OG1 3.22Å; T652-T655 PolarHBondContact O-OG1 3.4Å; T652-S656 PolarHBondContact O-N 3.37Å; T652-S656 PolarHBondContact O-OG 3.04Å; T652-F713 HydrophobicContact CG2-CD2 3.69Å; T652-F713 HydrophobicContact CG2-CE2 3.88Å; T652-T716 VanDerWaalsContact OG1-CB 3.22Å; T652-T716 WeakPolarHBondContact OG1-CB 3.47Å; T652-T716 PolarHBondContact OG1-OG1 2.84Å; T652-M717 HydrophobicContact CG2-CE 3.57Å; T652-M717 HydrophobicContact CG2-CG 4Å
653F85.5Confident85.1Confident143 Ų14342.5 Ų42.563%0.62722%0.224SC*.Hα-helixtrans-66.6-46.1171.9-174.8-108.7000111L649 T650 T655 S656 I657L649-F653 PolarHBondContact O-N 3.32Å; T650-F653 PolarHBondContact O-N 2.79Å; F653-T655 PolarHBondContact O-N 3.36Å; F653-S656 WeakPolarHBondContact O-CB 3.35Å; F653-S656 PolarHBondContact O-N 3.27Å; F653-S656 VanDerWaalsContact O-N 3.1Å; F653-I657 HydrophobicContact CD1-CD1 3.93Å; F653-I657 HydrophobicContact CE1-CD1 3.53Å; F653-I657 HydrophobicContact CZ-CD1 3.97Å; F653-I657 PolarHBondContact O-N 2.93Å; F653-I657 VanDerWaalsContact O-N 3.14Å
654Y88.3Confident85Confident48 Ų4842 Ų4219%0.18822%0.221CC..Hα-helixtrans-58.5-47.1175.8179.2-117.2000112.4Y618 L621 F622 L625 T650 L651 S656 I657 V658Y618-Y654 VanDerWaalsContact CA-OH 3.29Å; Y618-Y654 WeakPolarHBondContact CA-OH 3.3Å; Y618-Y654 VanDerWaalsContact CB-OH 3.24Å; Y618-Y654 WeakPolarHBondContact CB-OH 3.31Å; Y618-Y654 PolarHBondContact O-OH 3.03Å; L621-Y654 HydrophobicContact CD2-CE1 4.5Å; L621-Y654 HydrophobicContact CD2-CE2 3.92Å; F622-Y654 HydrophobicContact CD1-CD1 4.05Å; F622-Y654 AromaticContact CD1-CE1 3.77Å; F622-Y654 HydrophobicContact CD1-CE1 3.77Å; F622-Y654 HydrophobicContact CD2-CE1 4.33Å; F622-Y654 AromaticContact CE1-CD1 3.44Å; F622-Y654 HydrophobicContact CE1-CD1 3.44Å; F622-Y654 VanDerWaalsContact CE1-CD1 3.44Å; F622-Y654 AromaticContact CE1-CE1 3.4Å; F622-Y654 HydrophobicContact CE1-CE1 3.4Å; F622-Y654 VanDerWaalsContact CE1-CE1 3.4Å; F622-Y654 HydrophobicContact CE2-CE1 4Å; F622-Y654 HydrophobicContact CG-CE1 4.22Å; F622-Y654 AromaticContact CZ-CD1 3.83Å; F622-Y654 HydrophobicContact CZ-CD1 3.83Å; F622-Y654 AromaticContact CZ-CE1 3.52Å; F622-Y654 HydrophobicContact CZ-CE1 3.52Å; L625-Y654 HydrophobicContact CD1-CD1 4.41Å; T650-Y654 WeakPolarHBondContact O-CB 3.29Å; T650-Y654 PolarHBondContact O-N 3.2Å; L651-Y654 PolarHBondContact O-N 3.24Å; Y654-S656 PolarHBondContact O-N 2.81Å; Y654-I657 PolarHBondContact O-N 3.41Å; Y654-I657 VanDerWaalsContact O-N 3.17Å; Y654-V658 HydrophobicContact CD2-CG2 4.48Å; Y654-V658 HydrophobicContact CE1-CG2 4.31Å; Y654-V658 HydrophobicContact CE2-CG2 4.09Å; Y654-V658 WeakPolarHBondContact O-CG2 3.38Å; Y654-V658 PolarHBondContact O-N 3.34Å
655T87.1Confident84.9Confident0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-60.1-33.9174.750.50000113.1F622 L651 T652 F653 V658 I659 L712F622-T655 HydrophobicContact CE1-CG2 3.9Å; F622-T655 HydrophobicContact CZ-CG2 4Å; L651-T655 PolarHBondContact O-N 2.95Å; L651-T655 PolarHBondContact O-OG1 3.2Å; T652-T655 WeakPolarHBondContact CA-OG1 3.22Å; T652-T655 PolarHBondContact O-OG1 3.4Å; F653-T655 PolarHBondContact O-N 3.36Å; T655-V658 PolarHBondContact O-N 3.48Å; T655-I659 WeakPolarHBondContact O-CD1 3.46Å; T655-I659 VanDerWaalsContact O-CG1 3.27Å; T655-I659 WeakPolarHBondContact O-CG1 3.28Å; T655-I659 PolarHBondContact O-N 3.22Å; T655-I659 VanDerWaalsContact O-N 3.08Å; T655-L712 HydrophobicContact CG2-CB 4.27Å; T655-L712 HydrophobicContact CG2-CD2 3.62Å; T655-L712 HydrophobicContact CG2-CG 3.85Å
656S82.7Confident84.6Confident24 Ų2436.8 Ų36.817%0.16820%0.201CC..Hα-helixtrans-66.9-39.8178.4-55.50000111.4T652 F653 Y654 I660T652-S656 PolarHBondContact O-N 3.37Å; T652-S656 PolarHBondContact O-OG 3.04Å; F653-S656 WeakPolarHBondContact O-CB 3.35Å; F653-S656 PolarHBondContact O-N 3.27Å; F653-S656 VanDerWaalsContact O-N 3.1Å; Y654-S656 PolarHBondContact O-N 2.81Å; S656-I660 WeakPolarHBondContact O-CD1 3.47Å; S656-I660 VanDerWaalsContact O-CG1 3.29Å; S656-I660 WeakPolarHBondContact O-CG1 3.32Å; S656-I660 PolarHBondContact O-N 2.7Å
657I85Confident84.2Confident86 Ų8635.2 Ų35.244%0.44118%0.184SC..Hα-helixtrans-65.6-45.4175.9-66.7170.4000110.6F653 Y654 I659 I660 A661F653-I657 HydrophobicContact CD1-CD1 3.93Å; F653-I657 HydrophobicContact CE1-CD1 3.53Å; F653-I657 HydrophobicContact CZ-CD1 3.97Å; F653-I657 PolarHBondContact O-N 2.93Å; F653-I657 VanDerWaalsContact O-N 3.14Å; Y654-I657 PolarHBondContact O-N 3.41Å; Y654-I657 VanDerWaalsContact O-N 3.17Å; I657-I659 PolarHBondContact O-N 3.13Å; I657-I660 PolarHBondContact O-N 3.4Å; I657-A661 WeakPolarHBondContact O-CB 3.05Å; I657-A661 PolarHBondContact O-N 2.92Å
658V84.8Confident83.5Confident12 Ų1236.8 Ų36.87%0.07320%0.197CC..Hα-helixtrans-59.6-46.1179.1173.70000111.4Y654 T655 I660 A661 L662 P709Y654-V658 HydrophobicContact CD2-CG2 4.48Å; Y654-V658 HydrophobicContact CE1-CG2 4.31Å; Y654-V658 HydrophobicContact CE2-CG2 4.09Å; Y654-V658 WeakPolarHBondContact O-CG2 3.38Å; Y654-V658 PolarHBondContact O-N 3.34Å; T655-V658 PolarHBondContact O-N 3.48Å; V658-I660 PolarHBondContact O-N 3.45Å; V658-A661 PolarHBondContact O-N 3.46Å; V658-L662 HydrophobicContact CG1-CD1 3.79Å; V658-L662 HydrophobicContact CG1-CG 4.39Å; V658-L662 WeakPolarHBondContact O-CB 3.27Å; V658-L662 WeakPolarHBondContact O-CG 3.33Å; V658-L662 PolarHBondContact O-N 2.91Å; V658-P709 HydrophobicContact CG1-CG 4.47Å
659I83.6Confident82.9Confident5 Ų538.8 Ų38.83%0.02622%0.217CC..Hα-helixtrans-59.1-45177.2-69.1163.1000111.5T655 I657 Y663 L706 P709 I710 F713T655-I659 WeakPolarHBondContact O-CD1 3.46Å; T655-I659 VanDerWaalsContact O-CG1 3.27Å; T655-I659 WeakPolarHBondContact O-CG1 3.28Å; T655-I659 PolarHBondContact O-N 3.22Å; T655-I659 VanDerWaalsContact O-N 3.08Å; I657-I659 PolarHBondContact O-N 3.13Å; I659-Y663 WeakPolarHBondContact O-CB 3.09Å; I659-Y663 PolarHBondContact O-N 3.5Å; I659-L706 HydrophobicContact CG2-CD2 4.31Å; I659-P709 HydrophobicContact CD1-CB 4.25Å; I659-P709 HydrophobicContact CG1-CB 3.73Å; I659-I710 HydrophobicContact CD1-CG1 3.95Å; I659-I710 HydrophobicContact CG1-CG1 4.32Å; I659-F713 HydrophobicContact CD1-CB 4.27Å
660I81.8Confident82.5Confident67 Ų6736.2 Ų36.234%0.34421%0.205SC..Hα-helixtrans-68.8-43.6-178.5-68.9167.6000111S656 I657 V658 Y663 I664S656-I660 WeakPolarHBondContact O-CD1 3.47Å; S656-I660 VanDerWaalsContact O-CG1 3.29Å; S656-I660 WeakPolarHBondContact O-CG1 3.32Å; S656-I660 PolarHBondContact O-N 2.7Å; I657-I660 PolarHBondContact O-N 3.4Å; V658-I660 PolarHBondContact O-N 3.45Å; I660-Y663 PolarHBondContact O-N 3.48Å; I660-I664 HydrophobicContact CG2-CD1 3.58Å; I660-I664 HydrophobicContact CG2-CG1 4.37Å; I660-I664 WeakPolarHBondContact O-CB 3.36Å; I660-I664 VanDerWaalsContact O-CG1 3.3Å; I660-I664 WeakPolarHBondContact O-CG1 3.38Å; I660-I664 PolarHBondContact O-N 2.78Å
661A82.2Confident82Confident43 Ų4332.7 Ų32.736%0.35518%0.184SC..Hα-helixtrans-62.4-46.9179.300000112I657 V658 Y663 I664 Y665I657-A661 WeakPolarHBondContact O-CB 3.05Å; I657-A661 PolarHBondContact O-N 2.92Å; V658-A661 PolarHBondContact O-N 3.46Å; A661-Y663 PolarHBondContact O-N 2.9Å; A661-I664 PolarHBondContact O-N 3.02Å; A661-Y665 PolarHBondContact O-N 3.26Å
662L82.6Confident81.4Confident6 Ų638.2 Ų38.23%0.03121%0.209CC..Hα-helixtrans-62.8-40.7178.6-70.7172.3000112.5V658 Q666 L706V658-L662 HydrophobicContact CG1-CD1 3.79Å; V658-L662 HydrophobicContact CG1-CG 4.39Å; V658-L662 WeakPolarHBondContact O-CB 3.27Å; V658-L662 WeakPolarHBondContact O-CG 3.33Å; V658-L662 PolarHBondContact O-N 2.91Å; L662-Q666 WeakPolarHBondContact O-CG 3.47Å; L662-Q666 PolarHBondContact O-NE2 2.81Å; L662-L706 HydrophobicContact CB-CD1 4.31Å
663Y81.8Confident81.2Confident2 Ų245.5 Ų45.51%0.00824%0.237CC..Hα-helixtrans-69.3-39.4177.7-173.7-78.3000112.3A440 H444 S445 L449 L452 I659 I660 A661 Y665 F667A440-Y663 PolarHBondContact O-OH 3.36Å; H444-Y663 AromaticContact CE1-CE1 3.79Å; H444-Y663 AromaticContact CE1-CZ 3.98Å; H444-Y663 AromaticContact ND1-CE1 3.66Å; H444-Y663 AromaticContact ND1-CE2 3.76Å; H444-Y663 AromaticContact ND1-CZ 3.36Å; H444-Y663 PolarHBondContact ND1-OH 3.04Å; S445-Y663 PolarHBondContact N-OH 3.44Å; S445-Y663 PolarHBondContact O-OH 3.39Å; L449-Y663 HydrophobicContact CB-CE1 3.82Å; L449-Y663 HydrophobicContact CD1-CD1 3.69Å; L449-Y663 HydrophobicContact CD1-CE1 3.8Å; L449-Y663 HydrophobicContact CG-CE1 4.36Å; L449-Y663 PolarHBondContact N-OH 2.94Å; L452-Y663 HydrophobicContact CD2-CD1 4.22Å; L452-Y663 HydrophobicContact CD2-CD2 3.61Å; L452-Y663 HydrophobicContact CD2-CE2 4.06Å; L452-Y663 HydrophobicContact CD2-CG 3.7Å; I659-Y663 WeakPolarHBondContact O-CB 3.09Å; I659-Y663 PolarHBondContact O-N 3.5Å; I660-Y663 PolarHBondContact O-N 3.48Å; A661-Y663 PolarHBondContact O-N 2.9Å; Y663-Y665 VanDerWaalsContact C-N 3.34Å; Y663-F667 HydrophobicContact CD1-CE2 4.34Å; Y663-F667 AromaticContact CE1-CE2 3.98Å; Y663-F667 HydrophobicContact CE1-CE2 3.98Å; Y663-F667 HydrophobicContact CE1-CZ 4.17Å
664I83.9Confident80.9Confident62 Ų6240.2 Ų40.232%0.31822%0.215SC..Hα-helixtrans-68.6-33.3179.4-74.5174.8000111.8I660 A661 Q666 F667 V670I660-I664 HydrophobicContact CG2-CD1 3.58Å; I660-I664 HydrophobicContact CG2-CG1 4.37Å; I660-I664 WeakPolarHBondContact O-CB 3.36Å; I660-I664 VanDerWaalsContact O-CG1 3.3Å; I660-I664 WeakPolarHBondContact O-CG1 3.38Å; I660-I664 PolarHBondContact O-N 2.78Å; A661-I664 PolarHBondContact O-N 3.02Å; I664-Q666 PolarHBondContact O-N 2.57Å; I664-F667 PolarHBondContact O-N 2.88Å; I664-V670 HydrophobicContact CG2-CG1 3.78Å
665Y82.2Confident80.6Confident11 Ų1141.6 Ų41.64%0.04323%0.225CC..Hα-helixtrans-65.6-22.9-178.5-165-100.8000114A661 Y663 F667 I674 L685 L690 V691 D692A661-Y665 PolarHBondContact O-N 3.26Å; Y663-Y665 VanDerWaalsContact C-N 3.34Å; Y665-F667 VanDerWaalsContact C-N 3.28Å; Y665-F667 PolarHBondContact O-N 2.9Å; Y665-I674 HydrophobicContact CD2-CD1 3.71Å; Y665-I674 HydrophobicContact CE2-CD1 3.99Å; Y665-L685 HydrophobicContact CE2-CD2 4.25Å; Y665-L690 HydrophobicContact CD1-CB 4.33Å; Y665-L690 HydrophobicContact CD2-CB 4.03Å; Y665-L690 HydrophobicContact CD2-CD2 4.09Å; Y665-L690 HydrophobicContact CD2-CG 4.45Å; Y665-L690 VanDerWaalsContact CE1-C 3.41Å; Y665-L690 HydrophobicContact CE1-CB 4.21Å; Y665-L690 WeakPolarHBondContact CE1-O 3.45Å; Y665-L690 HydrophobicContact CE2-CB 3.93Å; Y665-L690 HydrophobicContact CG-CB 4.24Å; Y665-L690 HydrophobicContact CG-CD2 4.13Å; Y665-L690 PolarHBondContact OH-O 3.07Å; Y665-V691 WeakPolarHBondContact CD1-O 3.43Å; Y665-D692 HydrophobicContact CE1-CB 4.46Å
666Q79.6Confident80.4Confident11 Ų1151.1 Ų51.15%0.05126%0.26CS..THydrogen-bonded Turntrans-73.8-13.7-178.3-54.5-49.9-61.500114.4L662 I664 P668 V691 L702L662-Q666 WeakPolarHBondContact O-CG 3.47Å; L662-Q666 PolarHBondContact O-NE2 2.81Å; I664-Q666 PolarHBondContact O-N 2.57Å; Q666-P668 WeakPolarHBondContact O-CD 3.41Å; Q666-V691 PolarHBondContact NE2-O 3.09Å; Q666-L702 HydrophobicContact CG-CD1 3.59Å; Q666-L702 HydrophobicContact CG-CD2 4.4Å
667F77.8Confident80.5Confident17 Ų1754.7 Ų54.78%0.07528%0.278CS..SBendtrans-73.5120.9173.9-70.5-73.8000109.3H444 I446 Y663 I664 Y665 G669 V670 S671H444-F667 AromaticContact CE1-CD2 3.88Å; H444-F667 AromaticContact CE1-CE1 3.78Å; H444-F667 AromaticContact CE1-CE2 3.57Å; H444-F667 AromaticContact CE1-CZ 3.52Å; H444-F667 AromaticContact NE2-CD1 3.64Å; H444-F667 AromaticContact NE2-CE1 3.69Å; H444-F667 AromaticContact NE2-CG 3.83Å; H444-F667 AromaticContact NE2-CZ 3.91Å; I446-F667 HydrophobicContact CG1-CE1 3.93Å; I446-F667 HydrophobicContact CG1-CZ 3.95Å; Y663-F667 HydrophobicContact CD1-CE2 4.34Å; Y663-F667 AromaticContact CE1-CE2 3.98Å; Y663-F667 HydrophobicContact CE1-CE2 3.98Å; Y663-F667 HydrophobicContact CE1-CZ 4.17Å; I664-F667 PolarHBondContact O-N 2.88Å; Y665-F667 VanDerWaalsContact C-N 3.28Å; Y665-F667 PolarHBondContact O-N 2.9Å; F667-G669 PolarHBondContact O-N 3.04Å; F667-G669 VanDerWaalsContact O-N 3.13Å; F667-V670 HydrophobicContact CB-CB 4.1Å; F667-V670 HydrophobicContact CB-CG2 3.76Å; F667-V670 WeakPolarHBondContact O-CA 3.33Å; F667-V670 PolarHBondContact O-N 3.26Å; F667-S671 PolarHBondContact O-N 3.22Å
668P72.8Confident80Confident54 Ų5453.5 Ų53.535%0.35127%0.274SS..Hα-helixtrans-63.6-25.6-174.823.7-33.7000113.1Q666 V670 S671 Q672Q666-P668 WeakPolarHBondContact O-CD 3.41Å; P668-V670 VanDerWaalsContact C-N 3.35Å; P668-S671 PolarHBondContact O-OG 3.12Å; P668-Q672 WeakPolarHBondContact O-CB 3.42Å; P668-Q672 VanDerWaalsContact O-CG 3.24Å; P668-Q672 WeakPolarHBondContact O-CG 3.31Å; P668-Q672 PolarHBondContact O-N 3.22Å
669G74.3Confident79.5Confident41 Ų4158.4 Ų58.442%0.42331%0.31SS..Hα-helixtrans-70.9-26.5170.900000113.9F667 W673F667-G669 PolarHBondContact O-N 3.04Å; F667-G669 VanDerWaalsContact O-N 3.13Å; G669-W673 VanDerWaalsContact O-CB 3.25Å; G669-W673 WeakPolarHBondContact O-CB 3.43Å; G669-W673 PolarHBondContact O-N 3.06Å
670V77.1Confident79Confident38 Ų3861.4 Ų61.423%0.2333%0.325CS..Hα-helixtrans-88.1-40.4-179.4-177.50000111.6I664 F667 P668 Q672 W673 I674I664-V670 HydrophobicContact CG2-CG1 3.78Å; F667-V670 HydrophobicContact CB-CB 4.1Å; F667-V670 HydrophobicContact CB-CG2 3.76Å; F667-V670 WeakPolarHBondContact O-CA 3.33Å; F667-V670 PolarHBondContact O-N 3.26Å; P668-V670 VanDerWaalsContact C-N 3.35Å; V670-Q672 VanDerWaalsContact C-N 3.35Å; V670-Q672 PolarHBondContact O-N 2.64Å; V670-W673 WeakPolarHBondContact O-CB 3.47Å; V670-W673 PolarHBondContact O-N 3.15Å; V670-W673 VanDerWaalsContact O-N 3.13Å; V670-I674 HydrophobicContact CG1-CD1 4.08Å; V670-I674 HydrophobicContact CG1-CG1 4.4Å; V670-I674 WeakPolarHBondContact O-CG1 3.43Å; V670-I674 PolarHBondContact O-N 3.41Å
671S75.8Confident78.8Confident10 Ų1060.7 Ų60.77%0.0733%0.326CS..Hα-helixtrans-58.9-47.5173.560.70000110.8F667 P668 W673 I674 I675F667-S671 PolarHBondContact O-N 3.22Å; P668-S671 PolarHBondContact O-OG 3.12Å; S671-W673 VanDerWaalsContact C-N 3.32Å; S671-W673 PolarHBondContact O-N 2.81Å; S671-I674 PolarHBondContact O-N 2.99Å; S671-I675 WeakPolarHBondContact O-CD1 3.47Å; S671-I675 VanDerWaalsContact O-CG1 3.31Å; S671-I675 WeakPolarHBondContact O-CG1 3.3Å; S671-I675 PolarHBondContact O-N 3.45Å
672Q75.6Confident78.5Confident118 Ų11865.2 Ų65.255%0.55134%0.34SS*.Hα-helixtrans-61.5-35.8173.2-69.8-178.611.400113.3P668 V670 R676P668-Q672 WeakPolarHBondContact O-CB 3.42Å; P668-Q672 VanDerWaalsContact O-CG 3.24Å; P668-Q672 WeakPolarHBondContact O-CG 3.31Å; P668-Q672 PolarHBondContact O-N 3.22Å; V670-Q672 VanDerWaalsContact C-N 3.35Å; V670-Q672 PolarHBondContact O-N 2.64Å; Q672-R676 WeakPolarHBondContact O-CB 3.49Å; Q672-R676 PolarHBondContact O-N 3.42Å
673W81.3Confident78.2Confident157 Ų15772 Ų7260%0.59537%0.371SS*.Hα-helixtrans-68-41.9176.6-18090.9000112.2G669 V670 S671 R676 N677G669-W673 VanDerWaalsContact O-CB 3.25Å; G669-W673 WeakPolarHBondContact O-CB 3.43Å; G669-W673 PolarHBondContact O-N 3.06Å; V670-W673 WeakPolarHBondContact O-CB 3.47Å; V670-W673 PolarHBondContact O-N 3.15Å; V670-W673 VanDerWaalsContact O-N 3.13Å; S671-W673 VanDerWaalsContact C-N 3.32Å; S671-W673 PolarHBondContact O-N 2.81Å; W673-R676 PolarHBondContact O-N 2.92Å; W673-N677 PolarHBondContact NE1-ND2 2.88Å; W673-N677 VanDerWaalsContact NE1-ND2 3.14Å; W673-N677 VanDerWaalsContact O-CB 3.31Å; W673-N677 WeakPolarHBondContact O-CB 3.35Å; W673-N677 PolarHBondContact O-N 3.41Å
674I79.7Confident78.2Confident32 Ų3277.5 Ų77.516%0.16439%0.392CS..Hα-helixtrans-63.9-48.9176.5-68.9170.5000110.3Y665 V670 S671 R676 N677 T678 L685Y665-I674 HydrophobicContact CD2-CD1 3.71Å; Y665-I674 HydrophobicContact CE2-CD1 3.99Å; V670-I674 HydrophobicContact CG1-CD1 4.08Å; V670-I674 HydrophobicContact CG1-CG1 4.4Å; V670-I674 WeakPolarHBondContact O-CG1 3.43Å; V670-I674 PolarHBondContact O-N 3.41Å; S671-I674 PolarHBondContact O-N 2.99Å; I674-R676 VanDerWaalsContact C-N 3.33Å; I674-R676 PolarHBondContact O-N 2.97Å; I674-N677 PolarHBondContact O-N 2.88Å; I674-T678 HydrophobicContact CG2-CG2 4.34Å; I674-T678 WeakPolarHBondContact O-CB 3.4Å; I674-T678 PolarHBondContact O-N 3.1Å; I674-T678 PolarHBondContact O-OG1 3.42Å; I674-L685 HydrophobicContact CG2-CD2 4.03Å
675I80.4Confident78Confident78 Ų7874.6 Ų74.640%0.438%0.377SS..Hα-helixtrans-60.1-44.7179.4-66.7164.1000110.3S671 L685S671-I675 WeakPolarHBondContact O-CD1 3.47Å; S671-I675 VanDerWaalsContact O-CG1 3.31Å; S671-I675 WeakPolarHBondContact O-CG1 3.3Å; S671-I675 PolarHBondContact O-N 3.45Å; I675-L685 HydrophobicContact CG1-CD1 3.74Å
676R83.4Confident77.7Confident199 Ų19977 Ų7775%0.75139%0.391SS*.Hα-helixtrans-68.8-35.6-179.2-169.9178.1-61.2-177.33.3113.8Q672 W673 I674Q672-R676 WeakPolarHBondContact O-CB 3.49Å; Q672-R676 PolarHBondContact O-N 3.42Å; W673-R676 PolarHBondContact O-N 2.92Å; I674-R676 VanDerWaalsContact C-N 3.33Å; I674-R676 PolarHBondContact O-N 2.97Å
677N84.1Confident77.7Confident100 Ų10076.6 Ų76.654%0.53539%0.389SS..Hα-helixtrans-95.1-27-174.2-76.32.6000114.9W673 I674W673-N677 PolarHBondContact NE1-ND2 2.88Å; W673-N677 VanDerWaalsContact NE1-ND2 3.14Å; W673-N677 VanDerWaalsContact O-CB 3.31Å; W673-N677 WeakPolarHBondContact O-CB 3.35Å; W673-N677 PolarHBondContact O-N 3.41Å; I674-N677 PolarHBondContact O-N 2.88Å
678T75.4Confident77.8Confident60 Ų6078.6 Ų78.637%0.36840%0.4SS..Hα-helixtrans-100.7-11.2-173.764.90000114.2I674 L680I674-T678 HydrophobicContact CG2-CG2 4.34Å; I674-T678 WeakPolarHBondContact O-CB 3.4Å; I674-T678 PolarHBondContact O-N 3.1Å; I674-T678 PolarHBondContact O-OG1 3.42Å; T678-L680 PolarHBondContact O-N 3.34Å
679S74.7Confident78Confident116 Ų11676.1 Ų76.181%0.81138%0.384SS*.  trans56.611.2-17766.10000116S681S679-S681 PolarHBondContact O-N 3.1Å
680L72.6Confident78.2Confident68 Ų6875.9 Ų75.936%0.35637%0.373SS..  trans-70127173-69.1168.8000109.6T678 W684 L685 I688T678-L680 PolarHBondContact O-N 3.34Å; L680-W684 HydrophobicContact CD2-CB 4.31Å; L680-L685 HydrophobicContact CB-CD1 4.47Å; L680-L685 HydrophobicContact CB-CG 4.27Å; L680-I688 HydrophobicContact CD1-CD1 4.45Å
681S76.7Confident78.1Confident51 Ų5175.7 Ų75.736%0.35737%0.372SS..  trans-61155.817262.70000111.2S679 E683 W684 L685S679-S681 PolarHBondContact O-N 3.1Å; S681-E683 PolarHBondContact O-N 3.02Å; S681-W684 PolarHBondContact O-N 3.2Å; S681-W684 VanDerWaalsContact O-N 3.1Å; S681-W684 PolarHBondContact OG-N 3.32Å; S681-L685 PolarHBondContact O-N 3.25Å; S681-L685 VanDerWaalsContact O-N 3.1Å
682Q76.2Confident78Confident139 Ų13977.4 Ų77.465%0.6538%0.381SS*.Hα-helixtrans-58.7-31.4176.5-168.2167.8-12.100112.7L685 N686Q682-L685 PolarHBondContact O-N 2.79Å; Q682-N686 WeakPolarHBondContact O-CB 3.45Å; Q682-N686 PolarHBondContact O-N 3.04Å; Q682-N686 PolarHBondContact O-OD1 2.92Å
683E76Confident77.9Confident147 Ų14772.2 Ų72.269%0.68736%0.356SS*.Hα-helixtrans-61.7-47.2173.3-64.6166.9-172.500112.6S681 L685 N686 A687S681-E683 PolarHBondContact O-N 3.02Å; E683-L685 PolarHBondContact O-N 3.42Å; E683-N686 PolarHBondContact O-N 2.9Å; E683-A687 WeakPolarHBondContact O-CB 3.32Å; E683-A687 PolarHBondContact O-N 3.28Å
684W82.1Confident77.1Confident118 Ų11872.4 Ų72.445%0.44736%0.357SS..Hα-helixtrans-64.2-38.3174.8-89.198.7000112.6F617 L680 S681 A687 I688 I853F617-W684 AromaticContact CE2-CZ3 3.99Å; F617-W684 HydrophobicContact CE2-CZ3 3.99Å; F617-W684 HydrophobicContact CZ-CZ3 4.16Å; L680-W684 HydrophobicContact CD2-CB 4.31Å; S681-W684 PolarHBondContact O-N 3.2Å; S681-W684 VanDerWaalsContact O-N 3.1Å; S681-W684 PolarHBondContact OG-N 3.32Å; W684-A687 PolarHBondContact O-N 3.05Å; W684-I688 WeakPolarHBondContact O-CD1 3.42Å; W684-I688 VanDerWaalsContact O-CG1 3.22Å; W684-I688 WeakPolarHBondContact O-CG1 3.14Å; W684-I688 PolarHBondContact O-N 3.35Å; W684-I853 HydrophobicContact CD2-CD1 3.98Å; W684-I853 HydrophobicContact CE3-CD1 3.82Å; W684-I853 HydrophobicContact CH2-CD1 3.98Å; W684-I853 HydrophobicContact CZ2-CD1 4.12Å; W684-I853 HydrophobicContact CZ3-CD1 3.82Å
685L80.5Confident76.3Confident1 Ų175 Ų751%0.00538%0.383CS..Hα-helixtrans-64.3-43174.3-76.2157.3000111.3Y665 I674 I675 L680 S681 Q682 E683 I688 G689 L690Y665-L685 HydrophobicContact CE2-CD2 4.25Å; I674-L685 HydrophobicContact CG2-CD2 4.03Å; I675-L685 HydrophobicContact CG1-CD1 3.74Å; L680-L685 HydrophobicContact CB-CD1 4.47Å; L680-L685 HydrophobicContact CB-CG 4.27Å; S681-L685 PolarHBondContact O-N 3.25Å; S681-L685 VanDerWaalsContact O-N 3.1Å; Q682-L685 PolarHBondContact O-N 2.79Å; E683-L685 PolarHBondContact O-N 3.42Å; L685-I688 PolarHBondContact O-N 3.36Å; L685-G689 PolarHBondContact O-N 2.85Å; L685-L690 HydrophobicContact CD2-CB 4.17Å; L685-L690 HydrophobicContact CD2-CD1 3.99Å; L685-L690 PolarHBondContact O-N 3.42Å
686N76.6Confident75.4Confident61 Ų6175.8 Ų75.833%0.32639%0.387SS..Hα-helixtrans-61.7-45.4174.2-71.4-5.8000111.8Q682 E683 I688 G689Q682-N686 WeakPolarHBondContact O-CB 3.45Å; Q682-N686 PolarHBondContact O-N 3.04Å; Q682-N686 PolarHBondContact O-OD1 2.92Å; E683-N686 PolarHBondContact O-N 2.9Å; N686-I688 PolarHBondContact O-N 3.19Å; N686-G689 WeakPolarHBondContact O-CA 3.41Å; N686-G689 PolarHBondContact O-N 3.21Å
687A77.7Confident74Confident3 Ų369.5 Ų69.53%0.02538%0.384CS..Hα-helixtrans-65.7-34.4178.100000113.4N616 F617 E683 W684 G689 I853N616-A687 WeakPolarHBondContact CA-O 3.31Å; F617-A687 HydrophobicContact CD2-CB 4.47Å; F617-A687 WeakPolarHBondContact CD2-O 3.25Å; F617-A687 HydrophobicContact CE2-CB 4.33Å; F617-A687 PolarHBondContact N-O 2.93Å; E683-A687 WeakPolarHBondContact O-CB 3.32Å; E683-A687 PolarHBondContact O-N 3.28Å; W684-A687 PolarHBondContact O-N 3.05Å; A687-G689 PolarHBondContact O-N 2.9Å; A687-I853 HydrophobicContact CB-CD1 3.49Å; A687-I853 VanDerWaalsContact CB-CD1 3.49Å; A687-I853 HydrophobicContact CB-CG1 3.96Å
688I81.8Confident72.7Confident59 Ų5971 Ų7130%0.30339%0.388SS..Hα-helixtrans-64.1-30.3168.4-68.3164.1000110.4F617 Y618 L680 W684 L685 N686 L690F617-I688 HydrophobicContact CD2-CG1 4.27Å; Y618-I688 VanDerWaalsContact CD1-O 3.25Å; Y618-I688 WeakPolarHBondContact CD1-O 3.29Å; L680-I688 HydrophobicContact CD1-CD1 4.45Å; W684-I688 WeakPolarHBondContact O-CD1 3.42Å; W684-I688 VanDerWaalsContact O-CG1 3.22Å; W684-I688 WeakPolarHBondContact O-CG1 3.14Å; W684-I688 PolarHBondContact O-N 3.35Å; L685-I688 PolarHBondContact O-N 3.36Å; N686-I688 PolarHBondContact O-N 3.19Å; I688-L690 HydrophobicContact CG2-CD1 3.95Å; I688-L690 HydrophobicContact CG2-CG 4.02Å
689G75.8Confident71.6Confident2 Ų274.3 Ų74.32%0.02141%0.414CS..THydrogen-bonded Turntrans94.124.6-177.700000113.6L685 N686 A687L685-G689 PolarHBondContact O-N 2.85Å; N686-G689 WeakPolarHBondContact O-CA 3.41Å; N686-G689 PolarHBondContact O-N 3.21Å; A687-G689 PolarHBondContact O-N 2.9Å
690L79.4Confident71Confident36 Ų3670.7 Ų70.719%0.18839%0.394CS..  trans-94.789.4172.7-71.5170.2000109.2Y665 L685 I688Y665-L690 HydrophobicContact CD1-CB 4.33Å; Y665-L690 HydrophobicContact CD2-CB 4.03Å; Y665-L690 HydrophobicContact CD2-CD2 4.09Å; Y665-L690 HydrophobicContact CD2-CG 4.45Å; Y665-L690 VanDerWaalsContact CE1-C 3.41Å; Y665-L690 HydrophobicContact CE1-CB 4.21Å; Y665-L690 WeakPolarHBondContact CE1-O 3.45Å; Y665-L690 HydrophobicContact CE2-CB 3.93Å; Y665-L690 HydrophobicContact CG-CB 4.24Å; Y665-L690 HydrophobicContact CG-CD2 4.13Å; Y665-L690 PolarHBondContact OH-O 3.07Å; L685-L690 HydrophobicContact CD2-CB 4.17Å; L685-L690 HydrophobicContact CD2-CD1 3.99Å; L685-L690 PolarHBondContact O-N 3.42Å; I688-L690 HydrophobicContact CG2-CD1 3.95Å; I688-L690 HydrophobicContact CG2-CG 4.02Å
691V75.3Confident70.6Confident35 Ų3568.1 Ų68.121%0.21238%0.383CS..  trans-116.7141.8-174.5-173.10000110.5Y665 Q666 F693 I696Y665-V691 WeakPolarHBondContact CD1-O 3.43Å; Q666-V691 PolarHBondContact NE2-O 3.09Å; V691-F693 HydrophobicContact CB-CE1 4.03Å; V691-F693 HydrophobicContact CB-CZ 4.06Å; V691-F693 HydrophobicContact CG1-CE1 4.27Å; V691-F693 WeakPolarHBondContact O-CE2 3.31Å; V691-F693 PolarHBondContact O-N 3.15Å; V691-I696 HydrophobicContact CG1-CD1 3.79Å
692D72.8Confident70.2Confident45 Ų4567.1 Ų67.124%0.24137%0.373CS..  trans-85.8102.1174.3-173.3-19.9000109.1Y665 R694 A695Y665-D692 HydrophobicContact CE1-CB 4.46Å; D692-R694 PolarHBondContact O-N 3.01Å; D692-R694 VanDerWaalsContact OD1-CB 3.23Å; D692-R694 WeakPolarHBondContact OD1-CB 3.47Å; D692-R694 PolarHBondContact OD1-N 2.88Å; D692-A695 HydrophobicContact CB-CB 4.43Å; D692-A695 PolarHBondContact O-N 3.46Å
693F73.4Confident69.9Low9 Ų965.1 Ų65.14%0.03936%0.363CS..THydrogen-bonded Turntrans-73.4-15.8-177.5-58.1-67.2000112.4V691 A695 I696 A701 L702 Q705V691-F693 HydrophobicContact CB-CE1 4.03Å; V691-F693 HydrophobicContact CB-CZ 4.06Å; V691-F693 HydrophobicContact CG1-CE1 4.27Å; V691-F693 WeakPolarHBondContact O-CE2 3.31Å; V691-F693 PolarHBondContact O-N 3.15Å; F693-A695 VanDerWaalsContact C-N 3.28Å; F693-A695 PolarHBondContact O-N 3.31Å; F693-I696 HydrophobicContact CD1-CD1 4.09Å; F693-I696 PolarHBondContact O-N 2.7Å; F693-A701 HydrophobicContact CD1-CB 4.38Å; F693-L702 HydrophobicContact CB-CB 4.35Å; F693-L702 HydrophobicContact CD2-CB 4.4Å; F693-L702 HydrophobicContact CD2-CD1 3.7Å; F693-L702 HydrophobicContact CE2-CD1 4.31Å; F693-Q705 VanDerWaalsContact CE1-CD 3.47Å; F693-Q705 HydrophobicContact CE1-CG 4.48Å; F693-Q705 VanDerWaalsContact CE1-NE2 3.34Å; F693-Q705 HydrophobicContact CZ-CG 4.49Å
694R64.4Low69.5Low162 Ų16263.7 Ų63.761%0.61136%0.359SS*.THydrogen-bonded Turntrans-69.3-29.9174.3-164.4175.9-177.9161.55.4111.1E509 D692E509-R694 IonicContact OE1-CZ 3.17Å; E509-R694 IonicContact OE1-NH1 3.29Å; E509-R694 PolarHBondContact OE1-NH1 3Å; E509-R694 IonicContact OE1-NH2 3.6Å; E509-R694 PolarHBondContact OE1-NH2 2.93Å; E509-R694 IonicContact OE2-NH2 2.84Å; D692-R694 PolarHBondContact O-N 3.01Å; D692-R694 VanDerWaalsContact OD1-CB 3.23Å; D692-R694 WeakPolarHBondContact OD1-CB 3.47Å; D692-R694 PolarHBondContact OD1-N 2.88Å
695A63.6Low69Low85 Ų8560.9 Ų60.970%0.70235%0.351SS*.THydrogen-bonded Turntrans-75.3-20.517700000114.1D692 F693 G697D692-A695 HydrophobicContact CB-CB 4.43Å; D692-A695 PolarHBondContact O-N 3.46Å; F693-A695 VanDerWaalsContact C-N 3.28Å; F693-A695 PolarHBondContact O-N 3.31Å; A695-G697 VanDerWaalsContact C-N 3.3Å
696I61.6Low68.8Low95 Ų9560.9 Ų60.949%0.48735%0.351SS..THydrogen-bonded Turntrans-82-9.2-178.3-59.9179.3000111.9V691 F693 E698V691-I696 HydrophobicContact CG1-CD1 3.79Å; F693-I696 HydrophobicContact CD1-CD1 4.09Å; F693-I696 PolarHBondContact O-N 2.7Å; I696-E698 PolarHBondContact O-N 3.44Å
697G54.2Low68.9Low68 Ų6862.1 Ų62.170%0.70136%0.357SS*.SBendtrans79.6-13.2176.600000115.1A695 S699A695-G697 VanDerWaalsContact C-N 3.3Å; G697-S699 PolarHBondContact O-N 2.88Å
698E55Low68.8Low131 Ų13162.8 Ų62.861%0.61236%0.363SS*.  trans-93.893.9177.7-66-167161.900112.3I696 G700 A701I696-E698 PolarHBondContact O-N 3.44Å; E698-G700 PolarHBondContact O-N 2.97Å; E698-A701 HydrophobicContact CB-CB 4.08Å; E698-A701 WeakPolarHBondContact O-CB 3.29Å; E698-A701 PolarHBondContact O-N 3.32Å
699S52.9Low68.7Low130 Ų13060.3 Ų60.391%0.90935%0.35SS*.THydrogen-bonded Turntrans-59-12.3178.156.10000115.1G697G697-S699 PolarHBondContact O-N 2.88Å
700G61.6Low68.9Low39 Ų3961.5 Ų61.540%0.40236%0.356SS..THydrogen-bonded Turntrans-91-17.3173.700000115.9E698 L702 F703 L704E698-G700 PolarHBondContact O-N 2.97Å; G700-L702 PolarHBondContact O-N 3.15Å; G700-F703 PolarHBondContact O-N 2.96Å; G700-L704 PolarHBondContact O-N 2.88Å
701A65.5Low69Low14 Ų1461.9 Ų61.912%0.11636%0.364CS..Hα-helixtrans-63.5-39.7-172.200000112.6F693 E698 F703 L704 Q705F693-A701 HydrophobicContact CD1-CB 4.38Å; E698-A701 HydrophobicContact CB-CB 4.08Å; E698-A701 WeakPolarHBondContact O-CB 3.29Å; E698-A701 PolarHBondContact O-N 3.32Å; A701-F703 VanDerWaalsContact C-N 3.3Å; A701-F703 PolarHBondContact O-N 3.44Å; A701-L704 PolarHBondContact O-N 2.99Å; A701-Q705 PolarHBondContact O-N 3.12Å
702L68.7Low69.5Low30 Ų3060.2 Ų60.216%0.15735%0.354CS..Hα-helixtrans-54.5-44.4174.8-179.371000112.3Q666 F693 G700 L706Q666-L702 HydrophobicContact CG-CD1 3.59Å; Q666-L702 HydrophobicContact CG-CD2 4.4Å; F693-L702 HydrophobicContact CB-CB 4.35Å; F693-L702 HydrophobicContact CD2-CB 4.4Å; F693-L702 HydrophobicContact CD2-CD1 3.7Å; F693-L702 HydrophobicContact CE2-CD1 4.31Å; G700-L702 PolarHBondContact O-N 3.15Å; L702-L706 HydrophobicContact CD1-CD1 3.54Å; L702-L706 HydrophobicContact CG-CD1 4.06Å; L702-L706 WeakPolarHBondContact O-CD1 3.49Å; L702-L706 PolarHBondContact O-N 3.21Å
703F69.4Low70.1Confident98 Ų9858.4 Ų58.443%0.4334%0.344SS..Hα-helixtrans-66.5-43.8-177.8177.9-96.5000111.4L441 G700 A701 L707L441-F703 HydrophobicContact CB-CD2 4.45Å; L441-F703 HydrophobicContact CD1-CD2 4.41Å; L441-F703 HydrophobicContact CD1-CE2 4.35Å; G700-F703 PolarHBondContact O-N 2.96Å; A701-F703 VanDerWaalsContact C-N 3.3Å; A701-F703 PolarHBondContact O-N 3.44Å; F703-L707 WeakPolarHBondContact O-CB 3.35Å; F703-L707 PolarHBondContact O-N 2.64Å; F703-L707 VanDerWaalsContact O-N 3.09Å
704L67.9Low70.5Confident117 Ų11760 Ų6061%0.61336%0.355SS*.Hα-helixtrans-62.2-44.8176.7-94.1150.9000112.2G700 A701 L707G700-L704 PolarHBondContact O-N 2.88Å; A701-L704 PolarHBondContact O-N 2.99Å; L704-L707 PolarHBondContact O-N 2.89Å
705Q71.5Confident71.4Confident59 Ų5953.5 Ų53.528%0.27633%0.333SS..Hα-helixtrans-71.9-35.7-179.2-66-156.917.700113.5F693 A701 P709F693-Q705 VanDerWaalsContact CE1-CD 3.47Å; F693-Q705 HydrophobicContact CE1-CG 4.48Å; F693-Q705 VanDerWaalsContact CE1-NE2 3.34Å; F693-Q705 HydrophobicContact CZ-CG 4.49Å; A701-Q705 PolarHBondContact O-N 3.12Å; Q705-P709 WeakPolarHBondContact O-CD 3.29Å
706L76.2Confident72.4Confident1 Ų149.4 Ų49.41%0.00530%0.299CS..Hα-helixtrans-72.8-24.9173.5-92.792.2000113.5L441 I659 L662 L702 A708 P709 I710L441-L706 HydrophobicContact CD2-CB 4.44Å; L441-L706 HydrophobicContact CD2-CD2 3.82Å; I659-L706 HydrophobicContact CG2-CD2 4.31Å; L662-L706 HydrophobicContact CB-CD1 4.31Å; L702-L706 HydrophobicContact CD1-CD1 3.54Å; L702-L706 HydrophobicContact CG-CD1 4.06Å; L702-L706 WeakPolarHBondContact O-CD1 3.49Å; L702-L706 PolarHBondContact O-N 3.21Å; L706-A708 VanDerWaalsContact C-N 3.33Å; L706-A708 PolarHBondContact O-N 3.32Å; L706-P709 WeakPolarHBondContact O-CD 3.46Å; L706-I710 HydrophobicContact CB-CD1 4.15Å; L706-I710 WeakPolarHBondContact O-CB 3.44Å; L706-I710 WeakPolarHBondContact O-CD1 3.44Å; L706-I710 WeakPolarHBondContact O-CG1 3.45Å; L706-I710 PolarHBondContact O-N 3.36Å; L706-I710 VanDerWaalsContact O-N 3.11Å
707L77.4Confident73.3Confident87 Ų8745.9 Ų45.946%0.45528%0.281SS..Hα-helixtrans-60.2-39.9-176.2-175.864.1000112.9F703 L704 I710 A711F703-L707 WeakPolarHBondContact O-CB 3.35Å; F703-L707 PolarHBondContact O-N 2.64Å; F703-L707 VanDerWaalsContact O-N 3.09Å; L704-L707 PolarHBondContact O-N 2.89Å; L707-I710 PolarHBondContact O-N 3.24Å; L707-A711 WeakPolarHBondContact O-CB 3.26Å; L707-A711 PolarHBondContact O-N 2.96Å
708A76.3Confident74.5Confident17 Ų1745.4 Ų45.414%0.1426%0.262CS..Hα-helixtrans-70.5-48.2-176.900000113.8V609 F613 L706 I710 A711 L712V609-A708 HydrophobicContact CG2-CB 4.25Å; F613-A708 HydrophobicContact CE2-CB 3.38Å; F613-A708 HydrophobicContact CZ-CB 3.47Å; F613-A708 VanDerWaalsContact CZ-CB 3.47Å; L706-A708 VanDerWaalsContact C-N 3.33Å; L706-A708 PolarHBondContact O-N 3.32Å; A708-I710 VanDerWaalsContact C-N 3.3Å; A708-I710 PolarHBondContact O-N 3.09Å; A708-A711 PolarHBondContact O-N 3.45Å; A708-L712 PolarHBondContact O-N 3.26Å
709P79.7Confident75.9Confident6 Ų639.1 Ų39.14%0.03923%0.233CC..Hα-helixtrans-56.9-39.4168.3-27.836000113.5V658 I659 Q705 L706 L712 F713V658-P709 HydrophobicContact CG1-CG 4.47Å; I659-P709 HydrophobicContact CD1-CB 4.25Å; I659-P709 HydrophobicContact CG1-CB 3.73Å; Q705-P709 WeakPolarHBondContact O-CD 3.29Å; L706-P709 WeakPolarHBondContact O-CD 3.46Å; P709-L712 PolarHBondContact O-N 3.47Å; P709-F713 WeakPolarHBondContact O-CB 3.3Å; P709-F713 PolarHBondContact O-N 2.79Å
710I80.5Confident77.2Confident27 Ų2734.4 Ų34.414%0.13820%0.197CC..Hα-helixtrans-64.5-42.5176-69.9168.3000111L441 I659 L706 L707 A708 F713 V714L441-I710 HydrophobicContact CD1-CD1 4.08Å; I659-I710 HydrophobicContact CD1-CG1 3.95Å; I659-I710 HydrophobicContact CG1-CG1 4.32Å; L706-I710 HydrophobicContact CB-CD1 4.15Å; L706-I710 WeakPolarHBondContact O-CB 3.44Å; L706-I710 WeakPolarHBondContact O-CD1 3.44Å; L706-I710 WeakPolarHBondContact O-CG1 3.45Å; L706-I710 PolarHBondContact O-N 3.36Å; L706-I710 VanDerWaalsContact O-N 3.11Å; L707-I710 PolarHBondContact O-N 3.24Å; A708-I710 VanDerWaalsContact C-N 3.3Å; A708-I710 PolarHBondContact O-N 3.09Å; I710-F713 PolarHBondContact O-N 2.91Å; I710-V714 WeakPolarHBondContact O-CG2 3.43Å; I710-V714 PolarHBondContact O-N 3.4Å
711A81.7Confident77.9Confident44 Ų4436 Ų3636%0.36419%0.193SC..Hα-helixtrans-63.2-43.5176.400000111.8L707 A708 V714 V715L707-A711 WeakPolarHBondContact O-CB 3.26Å; L707-A711 PolarHBondContact O-N 2.96Å; A708-A711 PolarHBondContact O-N 3.45Å; A711-V714 PolarHBondContact O-N 3.38Å; A711-V715 WeakPolarHBondContact O-CB 3.49Å; A711-V715 WeakPolarHBondContact O-CG2 3.45Å; A711-V715 PolarHBondContact O-N 3.33Å
712L86Confident78.4Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-61.2-46.1175.6-175.558.2000111.1V605 L606 V609 F622 L651 T655 A708 P709 V714 V715 T716V605-L712 HydrophobicContact CG1-CB 4.49Å; V605-L712 HydrophobicContact CG1-CD1 3.99Å; L606-L712 HydrophobicContact CD1-CD2 4.11Å; V609-L712 HydrophobicContact CB-CD2 4.49Å; V609-L712 HydrophobicContact CG1-CD2 4.22Å; V609-L712 HydrophobicContact CG2-CB 4.41Å; F622-L712 HydrophobicContact CD1-CD2 4.08Å; F622-L712 HydrophobicContact CE1-CD2 3.65Å; F622-L712 HydrophobicContact CZ-CD2 4.15Å; L651-L712 HydrophobicContact CD1-CD2 4.4Å; L651-L712 HydrophobicContact CD2-CD1 4.47Å; T655-L712 HydrophobicContact CG2-CB 4.27Å; T655-L712 HydrophobicContact CG2-CD2 3.62Å; T655-L712 HydrophobicContact CG2-CG 3.85Å; A708-L712 PolarHBondContact O-N 3.26Å; P709-L712 PolarHBondContact O-N 3.47Å; L712-V714 PolarHBondContact O-N 3.43Å; L712-V715 PolarHBondContact O-N 3.45Å; L712-T716 HydrophobicContact CD1-CG2 4.06Å; L712-T716 HydrophobicContact CG-CG2 4.45Å; L712-T716 WeakPolarHBondContact O-CG2 3.48Å; L712-T716 PolarHBondContact O-N 2.9Å; L712-T716 PolarHBondContact O-OG1 3.25Å
713F85.2Confident78.9Confident7 Ų741.8 Ų41.83%0.03122%0.215CC..Hα-helixtrans-57.2-44.6175.2172.3-94.1000112.9W459 T652 I659 P709 I710 T716 M717W459-F713 HydrophobicContact CB-CE1 4.17Å; W459-F713 HydrophobicContact CB-CZ 4.36Å; T652-F713 HydrophobicContact CG2-CD2 3.69Å; T652-F713 HydrophobicContact CG2-CE2 3.88Å; I659-F713 HydrophobicContact CD1-CB 4.27Å; P709-F713 WeakPolarHBondContact O-CB 3.3Å; P709-F713 PolarHBondContact O-N 2.79Å; I710-F713 PolarHBondContact O-N 2.91Å; F713-T716 PolarHBondContact O-OG1 3.39Å; F713-M717 HydrophobicContact CE1-CG 4.45Å; F713-M717 HydrophobicContact CE2-CE 4.32Å; F713-M717 HydrophobicContact CE2-CG 4.38Å; F713-M717 HydrophobicContact CZ-CG 4.25Å; F713-M717 VanDerWaalsContact O-CB 3.27Å; F713-M717 WeakPolarHBondContact O-CB 3.38Å; F713-M717 WeakPolarHBondContact O-CG 3.34Å; F713-M717 PolarHBondContact O-N 2.97Å
714V80.1Confident79.5Confident43 Ų4338.5 Ų38.526%0.26120%0.201SC..Hα-helixtrans-65.8-43.2177.5171.60000111.1W459 I710 A711 L712 M717 L718W459-V714 HydrophobicContact CH2-CG1 4.47Å; W459-V714 HydrophobicContact CZ3-CG1 4.3Å; W459-V714 HydrophobicContact CZ3-CG2 4.43Å; I710-V714 WeakPolarHBondContact O-CG2 3.43Å; I710-V714 PolarHBondContact O-N 3.4Å; A711-V714 PolarHBondContact O-N 3.38Å; L712-V714 PolarHBondContact O-N 3.43Å; V714-M717 PolarHBondContact O-N 3.42Å; V714-L718 HydrophobicContact CG1-CD1 4.16Å; V714-L718 VanDerWaalsContact O-CG 3.31Å; V714-L718 WeakPolarHBondContact O-CG 3.31Å; V714-L718 PolarHBondContact O-N 2.95Å
715V84.4Confident79.9Confident25 Ų2534.8 Ų34.815%0.15219%0.191CC..Hα-helixtrans-67.7-43-179.1168.60000111.9F598 V602 V605 A711 L712 L718 Q719F598-V715 HydrophobicContact CE1-CG1 4.09Å; F598-V715 HydrophobicContact CZ-CG1 4.29Å; V602-V715 HydrophobicContact CB-CG1 4.32Å; V602-V715 HydrophobicContact CG1-CG1 4.36Å; V602-V715 HydrophobicContact CG2-CG1 3.92Å; V605-V715 HydrophobicContact CG2-CG1 4.46Å; A711-V715 WeakPolarHBondContact O-CB 3.49Å; A711-V715 WeakPolarHBondContact O-CG2 3.45Å; A711-V715 PolarHBondContact O-N 3.33Å; L712-V715 PolarHBondContact O-N 3.45Å; V715-L718 PolarHBondContact O-N 3.02Å; V715-Q719 PolarHBondContact O-N 3.31Å
716T84.8Confident80.3Confident0 Ų033.5 Ų33.50%019%0.187CC..Hα-helixtrans-67.7-36.617660.60000111.9V602 L651 T652 L712 F713 Q719 L720V602-T716 HydrophobicContact CG1-CG2 3.93Å; L651-T716 HydrophobicContact CD2-CG2 3.7Å; L651-T716 HydrophobicContact CG-CG2 4.15Å; T652-T716 VanDerWaalsContact OG1-CB 3.22Å; T652-T716 WeakPolarHBondContact OG1-CB 3.47Å; T652-T716 PolarHBondContact OG1-OG1 2.84Å; L712-T716 HydrophobicContact CD1-CG2 4.06Å; L712-T716 HydrophobicContact CG-CG2 4.45Å; L712-T716 WeakPolarHBondContact O-CG2 3.48Å; L712-T716 PolarHBondContact O-N 2.9Å; L712-T716 PolarHBondContact O-OG1 3.25Å; F713-T716 PolarHBondContact O-OG1 3.39Å; T716-Q719 PolarHBondContact O-N 2.88Å; T716-L720 WeakPolarHBondContact O-CB 3.43Å; T716-L720 WeakPolarHBondContact O-CG 3.37Å; T716-L720 PolarHBondContact O-N 3.45Å
717M79.8Confident80.6Confident20 Ų2034.2 Ų34.210%0.09919%0.19CC..Hα-helixtrans-63.1-39.4172.3-85-73.5166.400112.9I460 T652 F713 V714 L720 K721I460-M717 HydrophobicContact CB-CE 4.49Å; I460-M717 HydrophobicContact CG1-CE 3.85Å; T652-M717 HydrophobicContact CG2-CE 3.57Å; T652-M717 HydrophobicContact CG2-CG 4Å; F713-M717 HydrophobicContact CE1-CG 4.45Å; F713-M717 HydrophobicContact CE2-CE 4.32Å; F713-M717 HydrophobicContact CE2-CG 4.38Å; F713-M717 HydrophobicContact CZ-CG 4.25Å; F713-M717 VanDerWaalsContact O-CB 3.27Å; F713-M717 WeakPolarHBondContact O-CB 3.38Å; F713-M717 WeakPolarHBondContact O-CG 3.34Å; F713-M717 PolarHBondContact O-N 2.97Å; V714-M717 PolarHBondContact O-N 3.42Å; M717-L720 PolarHBondContact O-N 3.17Å; M717-K721 WeakPolarHBondContact O-CB 3.29Å; M717-K721 WeakPolarHBondContact O-CG 3.45Å; M717-K721 PolarHBondContact O-N 2.96Å
718L79.3Confident80.6Confident58 Ų5832 Ų3230%0.30418%0.182SC..Hα-helixtrans-64.5-43174.3-73171000111.8F598 V714 V715 K721 F722 F723F598-L718 HydrophobicContact CE1-CB 4.21Å; F598-L718 HydrophobicContact CZ-CB 3.98Å; F598-L718 HydrophobicContact CZ-CD1 4.45Å; V714-L718 HydrophobicContact CG1-CD1 4.16Å; V714-L718 VanDerWaalsContact O-CG 3.31Å; V714-L718 WeakPolarHBondContact O-CG 3.31Å; V714-L718 PolarHBondContact O-N 2.95Å; V715-L718 PolarHBondContact O-N 3.02Å; L718-K721 PolarHBondContact O-N 3Å; L718-F722 HydrophobicContact CD2-CD2 3.71Å; L718-F722 HydrophobicContact CD2-CE2 3.73Å; L718-F722 PolarHBondContact O-N 3.33Å; L718-F723 HydrophobicContact CB-CE2 4.39Å
719Q84.1Confident80.6Confident0 Ų040.1 Ų40.10%021%0.209CC..Iπ-helixtrans-58.8-47.7174.4173.667-11.700111.6F598 V602 W648 V715 T716 F723 H724F598-Q719 HydrophobicContact CD1-CB 3.93Å; F598-Q719 HydrophobicContact CE1-CB 3.98Å; V602-Q719 HydrophobicContact CG2-CB 3.74Å; V602-Q719 HydrophobicContact CG2-CG 3.94Å; W648-Q719 HydrophobicContact CD2-CG 4.45Å; W648-Q719 HydrophobicContact CG-CG 4.3Å; V715-Q719 PolarHBondContact O-N 3.31Å; T716-Q719 PolarHBondContact O-N 2.88Å; Q719-F723 PolarHBondContact O-N 3.41Å; Q719-H724 WeakPolarHBondContact O-CB 3.41Å; Q719-H724 PolarHBondContact O-N 2.93Å
720L81.1Confident80.2Confident31 Ų3142.8 Ų42.816%0.16223%0.231CC..Iπ-helixtrans-64.2-44178.9-77.8167000112.6Y645 W648 T716 M717Y645-L720 HydrophobicContact CD2-CD2 4.1Å; Y645-L720 HydrophobicContact CE2-CD2 3.93Å; W648-L720 HydrophobicContact CB-CD1 4.44Å; W648-L720 HydrophobicContact CB-CD2 3.89Å; W648-L720 HydrophobicContact CB-CG 4.04Å; T716-L720 WeakPolarHBondContact O-CB 3.43Å; T716-L720 WeakPolarHBondContact O-CG 3.37Å; T716-L720 PolarHBondContact O-N 3.45Å; M717-L720 PolarHBondContact O-N 3.17Å
721K76.2Confident79.8Confident72 Ų7243 Ų4331%0.31323%0.234SC..Iπ-helixtrans-80.7-40.2-173.8-69.9-171.5-173.1-171.40114.8W459 F461 M717 L718W459-K721 PolarHBondContact O-NZ 3.29Å; F461-K721 PolarHBondContact O-NZ 3.27Å; M717-K721 WeakPolarHBondContact O-CB 3.29Å; M717-K721 WeakPolarHBondContact O-CG 3.45Å; M717-K721 PolarHBondContact O-N 2.96Å; L718-K721 PolarHBondContact O-N 3Å
722F75.2Confident79.1Confident132 Ų13243 Ų4358%0.57923%0.231SC*.Iπ-helixtrans-112.4-32.7-169.1-62.3-64.9000114.3L718L718-F722 HydrophobicContact CD2-CD2 3.71Å; L718-F722 HydrophobicContact CD2-CE2 3.73Å; L718-F722 PolarHBondContact O-N 3.33Å
723F80.2Confident77.8Confident34 Ų3447 Ų4715%0.14926%0.257CS..Iπ-helixtrans-114.5-24.1-161.4-55.3-48.6000115.6V594 S595 F598 L718 Q719 G725 P726 W727V594-F723 HydrophobicContact CG1-CE1 4.25Å; V594-F723 HydrophobicContact CG1-CZ 4.15Å; S595-F723 VanDerWaalsContact CB-CD1 3.5Å; F598-F723 HydrophobicContact CB-CB 4.09Å; F598-F723 HydrophobicContact CB-CD2 3.83Å; F598-F723 HydrophobicContact CB-CE2 4.48Å; F598-F723 HydrophobicContact CB-CG 4.04Å; F598-F723 AromaticContact CD1-CD2 3.5Å; F598-F723 HydrophobicContact CD1-CD2 3.5Å; F598-F723 VanDerWaalsContact CD1-CD2 3.5Å; F598-F723 HydrophobicContact CD1-CE2 4.1Å; F598-F723 HydrophobicContact CD1-CG 4.39Å; F598-F723 AromaticContact CD2-CD2 3.56Å; F598-F723 HydrophobicContact CD2-CD2 3.56Å; F598-F723 AromaticContact CD2-CE2 3.41Å; F598-F723 HydrophobicContact CD2-CE2 3.41Å; F598-F723 VanDerWaalsContact CD2-CE2 3.41Å; F598-F723 HydrophobicContact CD2-CG 4.46Å; F598-F723 HydrophobicContact CD2-CZ 4.22Å; F598-F723 AromaticContact CE1-CD2 3.85Å; F598-F723 HydrophobicContact CE1-CD2 3.85Å; F598-F723 HydrophobicContact CE1-CE2 4.13Å; F598-F723 AromaticContact CE2-CD2 3.92Å; F598-F723 HydrophobicContact CE2-CD2 3.92Å; F598-F723 AromaticContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CE2 3.47Å; F598-F723 VanDerWaalsContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CZ 4.4Å; F598-F723 HydrophobicContact CG-CB 4.43Å; F598-F723 AromaticContact CG-CD2 3.33Å; F598-F723 HydrophobicContact CG-CD2 3.33Å; F598-F723 AromaticContact CG-CE2 3.74Å; F598-F723 HydrophobicContact CG-CE2 3.74Å; F598-F723 HydrophobicContact CG-CG 4.06Å; F598-F723 HydrophobicContact CZ-CD2 4.04Å; F598-F723 AromaticContact CZ-CE2 3.83Å; F598-F723 HydrophobicContact CZ-CE2 3.83Å; L718-F723 HydrophobicContact CB-CE2 4.39Å; Q719-F723 PolarHBondContact O-N 3.41Å; F723-G725 PolarHBondContact O-N 2.8Å; F723-P726 WeakPolarHBondContact O-CD 3.39Å; F723-W727 PolarHBondContact O-N 2.9Å; F723-W727 VanDerWaalsContact O-N 3.13Å
724H82.8Confident76.4Confident29 Ų2958.1 Ų58.113%0.13430%0.299CS..Hα-helixtrans-59.7-42.5178.9-176.877.4000113.4Y645 Q719 W727 S728Y645-H724 AromaticContact CD2-CD2 3.78Å; Y645-H724 AromaticContact CD2-NE2 3.75Å; Q719-H724 WeakPolarHBondContact O-CB 3.41Å; Q719-H724 PolarHBondContact O-N 2.93Å; H724-W727 PolarHBondContact O-N 3Å; H724-S728 WeakPolarHBondContact O-CB 3.33Å; H724-S728 PolarHBondContact O-N 3.41Å
725G76.3Confident74.8Confident39 Ų3967 Ų6740%0.40233%0.328SS..Hα-helixtrans-63.5-47.1-179.900000114.4F723 R729F723-G725 PolarHBondContact O-N 2.8Å; G725-R729 PolarHBondContact O-N 2.98Å; G725-R729 PolarHBondContact O-NE 3.33Å
726P78.5Confident72.6Confident32 Ų3270.7 Ų70.721%0.20836%0.361CS..Hα-helixtrans-57.5-48.3168.4-2935.6000114.1S595 F723 S728 R729 A730S595-P726 WeakPolarHBondContact OG-CB 3.38Å; F723-P726 WeakPolarHBondContact O-CD 3.39Å; P726-S728 PolarHBondContact O-N 3.26Å; P726-R729 PolarHBondContact O-N 3.29Å; P726-A730 PolarHBondContact O-N 3.17Å
727W82.9Confident70.3Confident15 Ų1578.9 Ų78.96%0.05740%0.399CS..Hα-helixtrans-61.5-42.2-178.417486.7000113.3I599 Y640 R641 A644 F723 H724 R729 A730 T731I599-W727 HydrophobicContact CD1-CD2 4.21Å; I599-W727 HydrophobicContact CD1-CH2 4.15Å; I599-W727 HydrophobicContact CD1-CZ2 3.55Å; Y640-W727 HydrophobicContact CE1-CH2 4.23Å; Y640-W727 HydrophobicContact CE1-CZ2 4.03Å; R641-W727 HydrophobicContact CG-CH2 4.28Å; R641-W727 HydrophobicContact CG-CZ3 4.34Å; A644-W727 HydrophobicContact CB-CH2 4.07Å; A644-W727 HydrophobicContact CB-CZ3 4Å; F723-W727 PolarHBondContact O-N 2.9Å; F723-W727 VanDerWaalsContact O-N 3.13Å; H724-W727 PolarHBondContact O-N 3Å; W727-R729 VanDerWaalsContact C-N 3.31Å; W727-R729 PolarHBondContact O-N 2.65Å; W727-A730 PolarHBondContact O-N 2.91Å; W727-T731 HydrophobicContact CZ2-CG2 4.42Å; W727-T731 PolarHBondContact O-N 3.4Å; W727-T731 PolarHBondContact O-OG1 3Å
728S78.5Confident68.1Low41 Ų4185 Ų8529%0.28743%0.432SS..Hα-helixtrans-63.2-35.8178.5-175.10000112.6H724 P726 T731 S732H724-S728 WeakPolarHBondContact O-CB 3.33Å; H724-S728 PolarHBondContact O-N 3.41Å; P726-S728 PolarHBondContact O-N 3.26Å; S728-T731 PolarHBondContact O-OG1 3.24Å; S728-S732 PolarHBondContact O-N 3.05Å
729R75.2Confident65.9Low187 Ų18789.9 Ų89.971%0.70646%0.458SS*.Hα-helixtrans-74.9-27.2174.4-71.5-175.3-68.4158.2-0.8113.7G725 P726 W727 S732G725-R729 PolarHBondContact O-N 2.98Å; G725-R729 PolarHBondContact O-NE 3.33Å; P726-R729 PolarHBondContact O-N 3.29Å; W727-R729 VanDerWaalsContact C-N 3.31Å; W727-R729 PolarHBondContact O-N 2.65Å; R729-S732 PolarHBondContact O-OG 2.88Å
730A70.4Confident63.4Low62 Ų6293.8 Ų93.851%0.51248%0.484SS..Hα-helixtrans-79.2-20.2177.800000113.5V596 P726 W727V596-A730 HydrophobicContact CG2-CB 3.94Å; P726-A730 PolarHBondContact O-N 3.17Å; W727-A730 PolarHBondContact O-N 2.91Å
731T72.2Confident61.2Low33 Ų3398.6 Ų98.620%0.20252%0.517CS..SBendtrans-109.9-0.6-174.952.80000113.7F637 W727 S728F637-T731 HydrophobicContact CZ-CG2 4.29Å; W727-T731 HydrophobicContact CZ2-CG2 4.42Å; W727-T731 PolarHBondContact O-N 3.4Å; W727-T731 PolarHBondContact O-OG1 3Å; S728-T731 PolarHBondContact O-OG1 3.24Å
732S68.1Low59.1Low42 Ų42101 Ų10129%0.29454%0.538SS..SBendtrans-74.2133.6173.2560000110.8S728 R729 R734S728-S732 PolarHBondContact O-N 3.05Å; R729-S732 PolarHBondContact O-OG 2.88Å; S732-R734 PolarHBondContact O-N 3.39Å
733P59Low57Low84 Ų8499.6 Ų99.655%0.54555%0.545SS..  trans-64.1113.9164.427.3-31.4000107R735P733-R735 PolarHBondContact O-N 3.37Å
734R54.8Low54.8Low242 Ų242104.3 Ų104.391%0.91358%0.576SS**  trans-59.7103.1169.3-86.7-179163.4174.4-8.4107.6S732S732-R734 PolarHBondContact O-N 3.39Å
735R47Very low52.3Low230 Ų230109.2 Ų109.287%0.86861%0.609SS**  trans-58.3146.4158.6-88.1-177.8172.4150.5-3.3107.4P733 E737P733-R735 PolarHBondContact O-N 3.37Å; R735-E737 VanDerWaalsContact C-N 3.32Å; R735-E737 PolarHBondContact O-N 2.87Å
736A38Very low50Low102 Ų102116.4 Ų116.484%0.84363%0.632SS**  trans-64.895.1175.200000109
737E37.3Very low47.7Very low172 Ų172119 Ų11980%0.80466%0.656SS**  trans-121.280.4176.9-168.2159.9-150.400107.6R735 D739R735-E737 VanDerWaalsContact C-N 3.32Å; R735-E737 PolarHBondContact O-N 2.87Å; E737-D739 VanDerWaalsContact C-N 3.28Å; E737-D739 PolarHBondContact O-N 2.82Å
738N33.4Very low45.1Very low147 Ų147123.8 Ų123.879%0.78670%0.698SS**  trans19.851.1137.2-57.5-11000119.5P740N738-P740 WeakPolarHBondContact O-CD 3.41Å
739D32.5Very low42.8Very low161 Ų161126.3 Ų126.386%0.86172%0.722SS**  trans-90.889.2146.9-86.9-26.6000108.4E737E737-D739 VanDerWaalsContact C-N 3.28Å; E737-D739 PolarHBondContact O-N 2.82Å
740P31.3Very low40.6Very low82 Ų82123.3 Ų123.353%0.53272%0.724SS.*  trans-68.9147.8166.731.4-34.4000109.4N738 T742N738-P740 WeakPolarHBondContact O-CD 3.41Å; P740-T742 PolarHBondContact O-N 3.29Å; P740-T742 PolarHBondContact O-OG1 2.91Å
741P34.8Very low38.7Very low133 Ų133125.3 Ų125.386%0.86474%0.741SS**  trans-72.373.2155.731.9-32.4000109.4
742T33Very low36.7Very low121 Ų121128.1 Ų128.174%0.74276%0.762SS**  trans-57.7132.2155.80.20000107.3P740P740-T742 PolarHBondContact O-N 3.29Å; P740-T742 PolarHBondContact O-OG1 2.91Å
743S31.6Very low34.9Very low104 Ų104132.4 Ų132.473%0.72779%0.786SS**  cis-154.5157.14.345.80000106.6
744T32.3Very low33.4Very low132 Ų132134.4 Ų134.481%0.8180%0.802SS**  cis-137.4159.331.542.80000114.1
745T31.7Very low32.2Very low133 Ų133126.2 Ų126.282%0.81679%0.793SS**  trans-54.3171.5172.413.90000116.2
746E27.7Very low31.3Very low190 Ų190122.2 Ų122.289%0.88879%0.794SS**  trans85.367.8170.4-56.4-175.2-168.900119
747A30Very low31Very low86 Ų86127 Ų12771%0.71180%0.8SS**  trans-155.9-0.7157.200000116.2A749A747-A749 PolarHBondContact O-N 3.06Å
748A28.3Very low30.4Very low115 Ų115121.7 Ų121.795%0.9579%0.791SS**THydrogen-bonded Turntrans-78.716.8-162.200000116.6
749A29.7Very low30.2Very low94 Ų94125.1 Ų125.178%0.77779%0.793SS**THydrogen-bonded Turntrans-135.71-174.500000115.9A747A747-A749 PolarHBondContact O-N 3.06Å
750V30Very low30Very low124 Ų124121.9 Ų121.975%0.75279%0.788SS**  trans-132.617-173.6-159.30000113.2S752V750-S752 PolarHBondContact O-N 3.16Å; V750-S752 VanDerWaalsContact O-N 3.16Å
751A29.7Very low29.9Very low105 Ų105127 Ų12787%0.86881%0.805SS**  trans-8114.6-177.200000115.1
752S30.3Very low29.7Very low92 Ų92125.9 Ų125.964%0.64381%0.806SS**SBendtrans-98.4118.7168.851.20000110.8V750V750-S752 PolarHBondContact O-N 3.16Å; V750-S752 VanDerWaalsContact O-N 3.16Å
753T30Very low29.6Very low132 Ų132125 Ų12581%0.8181%0.811SS**SBendtrans70.6133.416918.60000118.7
754S28.8Very low29.8Very low125 Ų125123.5 Ų123.587%0.87481%0.812SS**  trans81.3137.9163.879.30000120.4
755G27.9Very low30.4Very low71 Ų71122.1 Ų122.173%0.73280%0.8SS**  trans69.98115800000118.3
756T29.9Very low31.4Very low145 Ų145119.7 Ų119.789%0.8979%0.785SS**  -149.2110.290.4-2.60000112.1G758T756-G758 PolarHBondContact O-N 3.48Å
757Q29.9Very low32.2Very low204 Ų204117 Ų11795%0.95378%0.776SS**  trans-79.9107.5163.3-70.9171.9-27.900107.8
758G25.8Very low33.1Very low60 Ų60118.3 Ų118.362%0.61978%0.775SS**SBendtrans173.7118.5178.100000115.5T756 A760T756-G758 PolarHBondContact O-N 3.48Å; G758-A760 VanDerWaalsContact C-N 3.35Å; G758-A760 PolarHBondContact O-N 2.75Å
759R29.1Very low34.5Very low219 Ų219119.4 Ų119.483%0.82676%0.758SS**SBendtrans58.513.2154.7-126.2169-171.8142.44120.7D1451R759-D1451 IonicContact NH2-OD1 3.87Å; R759-D1451 PolarHBondContact NH2-OD1 3.27Å
760A28Very low35.9Very low92 Ų92121 Ų12176%0.7675%0.748SS**  trans-112.29.5179.300000116.3G758G758-A760 VanDerWaalsContact C-N 3.35Å; G758-A760 PolarHBondContact O-N 2.75Å
761H29.2Very low37.5Very low191 Ų191120.3 Ų120.388%0.88474%0.739SS**SBendtrans-107.5139.7177.7-77.9-65.5000112.2
762A29.9Very low39.2Very low109 Ų109120.3 Ų120.390%0.90172%0.721SS**SBendtrans76.660.7169.700000118.9
763A32Very low41.3Very low102 Ų102122.7 Ų122.784%0.84372%0.72SS**SBendtrans-146.5122.4156.500000113.7D765A763-D765 PolarHBondContact O-N 3.14Å
764G35.7Very low43.1Very low73 Ų73121.5 Ų121.575%0.75371%0.708SS**  trans7133143.600000120.8T766G764-T766 PolarHBondContact O-N 2.7Å
765D44.4Very low44.9Very low102 Ų102117 Ų11755%0.54568%0.678SS.*  trans-72.278.8173.6-148.525.5000111.2A763A763-D765 PolarHBondContact O-N 3.14Å
766T54.1Low47.2Very low82 Ų82117.6 Ų117.650%0.50366%0.664SS.*  trans-45.1138.3-168.550.50000113.6G764 V768 K769 K770G764-T766 PolarHBondContact O-N 2.7Å; T766-V768 PolarHBondContact O-N 3.26Å; T766-K769 PolarHBondContact O-N 3.23Å; T766-K770 PolarHBondContact O-N 2.92Å
767L42.8Very low49.3Very low133 Ų133116.6 Ų116.670%0.69665%0.65SS**Hα-helixtrans-50.6-35-175.9-165.8151.1000112.4K769 K770 L771L767-K769 PolarHBondContact O-N 3.49Å; L767-K770 PolarHBondContact O-N 2.87Å; L767-L771 HydrophobicContact CD2-CB 4.45Å; L767-L771 HydrophobicContact CD2-CD1 3.67Å; L767-L771 VanDerWaalsContact O-CB 3.28Å; L767-L771 WeakPolarHBondContact O-CB 3.33Å; L767-L771 PolarHBondContact O-N 3.07Å
768V49.7Very low51.4Low114 Ų114110.1 Ų110.169%0.69162%0.624SS**Hα-helixtrans-60.3-40.9174.5-176.30000113.5T766 L771 H772T766-V768 PolarHBondContact O-N 3.26Å; V768-L771 PolarHBondContact O-N 3.47Å; V768-H772 WeakPolarHBondContact O-CB 3.26Å; V768-H772 PolarHBondContact O-N 3.37Å
769K58.1Low53.9Low138 Ų138111 Ų11160%0.661%0.614SS**Hα-helixtrans-66.6-42.4175.9-85.6-174.4177177.80111.5T766 L767 H772 K773T766-K769 PolarHBondContact O-N 3.23Å; L767-K769 PolarHBondContact O-N 3.49Å; K769-H772 PolarHBondContact O-N 3.21Å; K769-K773 WeakPolarHBondContact O-CB 3.46Å; K769-K773 PolarHBondContact O-N 3.42Å
770K59.5Low56.3Low129 Ų129101.5 Ų101.556%0.56158%0.579SS**Hα-helixtrans-63.5-46174.2-78-179.6179170.80111.2T766 L767 H772 K773 L774T766-K770 PolarHBondContact O-N 2.92Å; L767-K770 PolarHBondContact O-N 2.87Å; K770-H772 PolarHBondContact O-N 3.35Å; K770-K773 PolarHBondContact O-N 3.25Å; K770-L774 WeakPolarHBondContact O-CB 3.37Å; K770-L774 PolarHBondContact O-N 3.25Å
771L62.4Low58.8Low108 Ų108100 Ų10057%0.56556%0.558SS**Hα-helixtrans-67.6-34.4179.8-146.7151.1000111.7L767 V768 A775L767-L771 HydrophobicContact CD2-CB 4.45Å; L767-L771 HydrophobicContact CD2-CD1 3.67Å; L767-L771 VanDerWaalsContact O-CB 3.28Å; L767-L771 WeakPolarHBondContact O-CB 3.33Å; L767-L771 PolarHBondContact O-N 3.07Å; V768-L771 PolarHBondContact O-N 3.47Å; L771-A775 WeakPolarHBondContact O-CA 3.39Å; L771-A775 WeakPolarHBondContact O-CB 3.16Å; L771-A775 PolarHBondContact O-N 3.16Å
772H66.6Low61.3Low106 Ų10695 Ų9549%0.49154%0.538SS..Hα-helixtrans-71.1-39.3172-176.9-92.3000112.8V768 K769 K770 N776V768-H772 WeakPolarHBondContact O-CB 3.26Å; V768-H772 PolarHBondContact O-N 3.37Å; K769-H772 PolarHBondContact O-N 3.21Å; K770-H772 PolarHBondContact O-N 3.35Å; H772-N776 PolarHBondContact CE1-ND2 3.12Å; H772-N776 WeakPolarHBondContact O-CB 3.34Å; H772-N776 PolarHBondContact O-N 3.42Å
773K73Confident63.9Low142 Ų14292.1 Ų92.162%0.61750%0.503SS*.Hα-helixtrans-65.6-43.5174-173.2175.4-177.9177.10111.1K769 K770 N776 Q777K769-K773 WeakPolarHBondContact O-CB 3.46Å; K769-K773 PolarHBondContact O-N 3.42Å; K770-K773 PolarHBondContact O-N 3.25Å; K773-N776 PolarHBondContact O-N 3.02Å; K773-Q777 WeakPolarHBondContact O-CB 3.48Å; K773-Q777 WeakPolarHBondContact O-CG 3.34Å; K773-Q777 PolarHBondContact O-N 3.48Å
774L68.6Low66.3Low106 Ų10690.8 Ų90.856%0.55548%0.476SS*.Hα-helixtrans-67.4-43.2177.2-157.3158.8000110.3K770 N776 Q777 T778K770-L774 WeakPolarHBondContact O-CB 3.37Å; K770-L774 PolarHBondContact O-N 3.25Å; L774-N776 PolarHBondContact O-N 3.17Å; L774-Q777 PolarHBondContact O-N 3.31Å; L774-T778 HydrophobicContact CD2-CG2 3.82Å; L774-T778 WeakPolarHBondContact O-CG2 3.34Å; L774-T778 PolarHBondContact O-N 2.85Å; L774-T778 PolarHBondContact O-OG1 3.49Å
775A67.3Low68.7Low31 Ų3191.6 Ų91.626%0.25646%0.459SS..Hα-helixtrans-59.2-45.6172.500000112.2L771 Q777 T778 I779L771-A775 WeakPolarHBondContact O-CA 3.39Å; L771-A775 WeakPolarHBondContact O-CB 3.16Å; L771-A775 PolarHBondContact O-N 3.16Å; A775-Q777 VanDerWaalsContact C-N 3.35Å; A775-Q777 PolarHBondContact O-N 3.43Å; A775-T778 WeakPolarHBondContact CA-OG1 3.36Å; A775-T778 PolarHBondContact O-N 3.17Å; A775-T778 PolarHBondContact O-OG1 3.03Å; A775-I779 WeakPolarHBondContact O-CB 3.42Å; A775-I779 WeakPolarHBondContact O-CD1 3.5Å; A775-I779 WeakPolarHBondContact O-CG1 3.37Å; A775-I779 PolarHBondContact O-N 3.14Å
776N74.9Confident70.6Confident83 Ų8389.1 Ų89.144%0.44444%0.444SS..Hα-helixtrans-64.7-38.6176.1-77.6-7.7000112.1H772 K773 L774 E780H772-N776 PolarHBondContact CE1-ND2 3.12Å; H772-N776 WeakPolarHBondContact O-CB 3.34Å; H772-N776 PolarHBondContact O-N 3.42Å; K773-N776 PolarHBondContact O-N 3.02Å; L774-N776 PolarHBondContact O-N 3.17Å; N776-E780 WeakPolarHBondContact O-CB 3.39Å; N776-E780 PolarHBondContact O-N 2.79Å
777Q75.2Confident72Confident124 Ų12486 Ų8658%0.57942%0.423SS*.Hα-helixtrans-67.2-40174.5-75.4178-29.700112.5K773 L774 A775 L781K773-Q777 WeakPolarHBondContact O-CB 3.48Å; K773-Q777 WeakPolarHBondContact O-CG 3.34Å; K773-Q777 PolarHBondContact O-N 3.48Å; L774-Q777 PolarHBondContact O-N 3.31Å; A775-Q777 VanDerWaalsContact C-N 3.35Å; A775-Q777 PolarHBondContact O-N 3.43Å; Q777-L781 VanDerWaalsContact O-CB 3.28Å; Q777-L781 WeakPolarHBondContact O-CB 3.43Å; Q777-L781 PolarHBondContact O-N 2.69Å
778T73.9Confident73.9Confident69 Ų6981.4 Ų81.442%0.42340%0.401SS..Hα-helixtrans-73.9-36.4176.850.90000112.4L774 A775 L781 L782L774-T778 HydrophobicContact CD2-CG2 3.82Å; L774-T778 WeakPolarHBondContact O-CG2 3.34Å; L774-T778 PolarHBondContact O-N 2.85Å; L774-T778 PolarHBondContact O-OG1 3.49Å; A775-T778 WeakPolarHBondContact CA-OG1 3.36Å; A775-T778 PolarHBondContact O-N 3.17Å; A775-T778 PolarHBondContact O-OG1 3.03Å; T778-L781 PolarHBondContact O-N 3.01Å; T778-L782 WeakPolarHBondContact O-CB 3.46Å; T778-L782 PolarHBondContact O-N 3.17Å
779I78Confident75.6Confident77 Ų7778.7 Ų78.740%0.39538%0.38SS..Hα-helixtrans-60.9-47.9171.9-73.8164.2000108.9A775 L782 W783A775-I779 WeakPolarHBondContact O-CB 3.42Å; A775-I779 WeakPolarHBondContact O-CD1 3.5Å; A775-I779 WeakPolarHBondContact O-CG1 3.37Å; A775-I779 PolarHBondContact O-N 3.14Å; I779-L782 PolarHBondContact O-N 3.39Å; I779-W783 PolarHBondContact O-N 3.04Å
780E79.8Confident76.9Confident20 Ų2072.4 Ų72.49%0.09335%0.354CS..Hα-helixtrans-68.9-36.1-179.9-165.351.2-138.900112.6N776 L782 W783 R784 R914 Q915 Y918N776-E780 WeakPolarHBondContact O-CB 3.39Å; N776-E780 PolarHBondContact O-N 2.79Å; E780-L782 VanDerWaalsContact C-N 3.34Å; E780-L782 PolarHBondContact O-N 3.38Å; E780-W783 PolarHBondContact O-N 3.26Å; E780-R784 WeakPolarHBondContact O-CG 3.41Å; E780-R784 PolarHBondContact O-N 3.38Å; E780-R914 IonicContact OE1-NH1 3.1Å; E780-R914 IonicContact OE2-CZ 3.48Å; E780-R914 IonicContact OE2-NH1 3.44Å; E780-R914 PolarHBondContact OE2-NH1 3.49Å; E780-R914 IonicContact OE2-NH2 2.72Å; E780-R914 PolarHBondContact OE2-NH2 3.12Å; E780-Q915 PolarHBondContact OE1-NE2 3.13Å; E780-Y918 HydrophobicContact CG-CE1 4.19Å; E780-Y918 WeakPolarHBondContact OE1-CE1 3.32Å
781L78.8Confident78Confident61 Ų6167.5 Ų67.532%0.31934%0.335SS..Hα-helixtrans-60.7-42.2169.7-176.366.6000112Q777 T778 R784 F785 V932 F933Q777-L781 VanDerWaalsContact O-CB 3.28Å; Q777-L781 WeakPolarHBondContact O-CB 3.43Å; Q777-L781 PolarHBondContact O-N 2.69Å; T778-L781 PolarHBondContact O-N 3.01Å; L781-R784 PolarHBondContact O-N 3.11Å; L781-F785 WeakPolarHBondContact O-CB 3.43Å; L781-F785 PolarHBondContact O-N 2.71Å; L781-V932 HydrophobicContact CD1-CG1 3.59Å; L781-F933 HydrophobicContact CD1-CD1 4.11Å; L781-F933 HydrophobicContact CD1-CE1 3.45Å; L781-F933 VanDerWaalsContact CD1-CE1 3.45Å; L781-F933 HydrophobicContact CD1-CZ 3.79Å; L781-F933 HydrophobicContact CD2-CE1 4.21Å; L781-F933 HydrophobicContact CD2-CZ 4.29Å; L781-F933 HydrophobicContact CG-CE1 4.49Å
782L82.5Confident79.2Confident87 Ų8766 Ų6646%0.45532%0.324SS..Hα-helixtrans-67.6-37.1178.2176.2133.9000111.8T778 I779 E780 F785 F786T778-L782 WeakPolarHBondContact O-CB 3.46Å; T778-L782 PolarHBondContact O-N 3.17Å; I779-L782 PolarHBondContact O-N 3.39Å; E780-L782 VanDerWaalsContact C-N 3.34Å; E780-L782 PolarHBondContact O-N 3.38Å; L782-F785 PolarHBondContact O-N 2.95Å; L782-F786 HydrophobicContact CD2-CD2 3.88Å; L782-F786 HydrophobicContact CD2-CE2 3.6Å; L782-F786 HydrophobicContact CG-CD2 4.1Å; L782-F786 HydrophobicContact CG-CE2 3.87Å; L782-F786 WeakPolarHBondContact O-CB 3.36Å; L782-F786 VanDerWaalsContact O-CD2 3.27Å; L782-F786 WeakPolarHBondContact O-CD2 3.41Å; L782-F786 PolarHBondContact O-N 2.92Å
783W85.6Confident80.2Confident47 Ų4763.9 Ų63.918%0.17832%0.316CS..Hα-helixtrans-68.9-33.8170.8-70.9109.8000113.1I779 E780 E787 F907 V911 R914 Q915I779-W783 PolarHBondContact O-N 3.04Å; E780-W783 PolarHBondContact O-N 3.26Å; W783-E787 WeakPolarHBondContact O-CB 3.43Å; W783-E787 PolarHBondContact O-N 2.98Å; W783-F907 HydrophobicContact CH2-CE2 4.31Å; W783-F907 HydrophobicContact CH2-CZ 4.48Å; W783-F907 HydrophobicContact CZ3-CE2 4.37Å; W783-F907 HydrophobicContact CZ3-CZ 4.26Å; W783-V911 HydrophobicContact CE3-CB 4.5Å; W783-V911 HydrophobicContact CE3-CG1 4.44Å; W783-V911 HydrophobicContact CE3-CG2 4.09Å; W783-V911 HydrophobicContact CZ3-CB 4.34Å; W783-V911 HydrophobicContact CZ3-CG2 3.73Å; W783-R914 VanDerWaalsContact CE2-CD 3.47Å; W783-R914 VanDerWaalsContact CG-NH1 3.28Å; W783-Q915 VanDerWaalsContact CB-NE2 3.3Å
784R81.8Confident80.9Confident74 Ų7457.2 Ų57.228%0.27929%0.287SS..Hα-helixtrans-68.2-41.6171.9-72.1176.5-176.3-168.8-0.9111.9E780 L781 E787 V788 P934E780-R784 WeakPolarHBondContact O-CG 3.41Å; E780-R784 PolarHBondContact O-N 3.38Å; L781-R784 PolarHBondContact O-N 3.11Å; R784-E787 WeakPolarHBondContact O-CB 3.34Å; R784-E787 PolarHBondContact O-N 3.13Å; R784-V788 WeakPolarHBondContact O-CG2 3.34Å; R784-V788 PolarHBondContact O-N 3.13Å; R784-V788 VanDerWaalsContact O-N 3.12Å; R784-P934 VanDerWaalsContact NH1-CD 3.32Å
785F85.1Confident81.9Confident90 Ų9053.3 Ų53.340%0.39527%0.266SS..Hα-helixtrans-60.1-47.7173.4178.6-95.4000111.1L781 L782 E787 V788 H789L781-F785 WeakPolarHBondContact O-CB 3.43Å; L781-F785 PolarHBondContact O-N 2.71Å; L782-F785 PolarHBondContact O-N 2.95Å; F785-E787 VanDerWaalsContact C-N 3.32Å; F785-E787 PolarHBondContact O-N 2.92Å; F785-V788 PolarHBondContact O-N 3.27Å; F785-H789 AromaticContact CD2-CD2 3.7Å; F785-H789 AromaticContact CE2-CD2 3.51Å; F785-H789 AromaticContact CE2-NE2 3.71Å; F785-H789 AromaticContact CZ-CD2 3.94Å; F785-H789 PolarHBondContact O-CD2 3.39Å; F785-H789 PolarHBondContact O-N 3.38Å
786F85.3Confident83Confident51 Ų5153.4 Ų53.422%0.22426%0.263CS..Hα-helixtrans-59.8-41.1172.5-79.2-50000111.8L782 V788 H789 I790 I793 F907 V911L782-F786 HydrophobicContact CD2-CD2 3.88Å; L782-F786 HydrophobicContact CD2-CE2 3.6Å; L782-F786 HydrophobicContact CG-CD2 4.1Å; L782-F786 HydrophobicContact CG-CE2 3.87Å; L782-F786 WeakPolarHBondContact O-CB 3.36Å; L782-F786 VanDerWaalsContact O-CD2 3.27Å; L782-F786 WeakPolarHBondContact O-CD2 3.41Å; L782-F786 PolarHBondContact O-N 2.92Å; F786-V788 VanDerWaalsContact C-N 3.29Å; F786-V788 PolarHBondContact O-N 3.31Å; F786-H789 PolarHBondContact O-N 3.06Å; F786-I790 WeakPolarHBondContact O-CA 3.32Å; F786-I790 WeakPolarHBondContact O-CB 3.44Å; F786-I790 WeakPolarHBondContact O-CG2 3.49Å; F786-I790 PolarHBondContact O-N 3.25Å; F786-I793 HydrophobicContact CD1-CD1 4.26Å; F786-I793 HydrophobicContact CE1-CD1 4.34Å; F786-F907 HydrophobicContact CD1-CE1 4.42Å; F786-F907 HydrophobicContact CD2-CE1 4.41Å; F786-F907 HydrophobicContact CD2-CZ 4.41Å; F786-F907 HydrophobicContact CE1-CE1 4.4Å; F786-F907 HydrophobicContact CE2-CE1 4.35Å; F786-F907 HydrophobicContact CE2-CZ 4.28Å; F786-F907 HydrophobicContact CG-CE1 4.45Å; F786-F907 HydrophobicContact CZ-CE1 4.36Å; F786-V911 HydrophobicContact CB-CG1 4.04Å; F786-V911 HydrophobicContact CB-CG2 4.24Å
787E83.9Confident83.7Confident16 Ų1651.9 Ų51.98%0.07525%0.254CS..Hα-helixtrans-58.8-38.7178-166.5-175.4174.400113.5W783 R784 F785 Q915 R919W783-E787 WeakPolarHBondContact O-CB 3.43Å; W783-E787 PolarHBondContact O-N 2.98Å; R784-E787 WeakPolarHBondContact O-CB 3.34Å; R784-E787 PolarHBondContact O-N 3.13Å; F785-E787 VanDerWaalsContact C-N 3.32Å; F785-E787 PolarHBondContact O-N 2.92Å; E787-Q915 HydrophobicContact CB-CG 4.43Å; E787-R919 IonicContact OE1-CZ 2.8Å; E787-R919 VanDerWaalsContact OE1-CZ 3.25Å; E787-R919 IonicContact OE1-NH1 3.9Å; E787-R919 PolarHBondContact OE1-NH1 2.74Å; E787-R919 IonicContact OE1-NH2 2.66Å; E787-R919 PolarHBondContact OE1-NH2 2.85Å; E787-R919 IonicContact OE2-CZ 2.68Å; E787-R919 IonicContact OE2-NH1 3.66Å; E787-R919 IonicContact OE2-NH2 2.76Å; E787-R919 PolarHBondContact OE2-NH2 3.1Å
788V81.3Confident84.4Confident36 Ų3646.1 Ų46.122%0.21823%0.227CC..Hα-helixtrans-76-32.3179177.10000112.4R784 F785 F786 V932R784-V788 WeakPolarHBondContact O-CG2 3.34Å; R784-V788 PolarHBondContact O-N 3.13Å; R784-V788 VanDerWaalsContact O-N 3.12Å; F785-V788 PolarHBondContact O-N 3.27Å; F786-V788 VanDerWaalsContact C-N 3.29Å; F786-V788 PolarHBondContact O-N 3.31Å; V788-V932 HydrophobicContact CG2-CG2 4.25Å
789H86.1Confident85.2Confident57 Ų5742.9 Ų42.926%0.26421%0.208SC..Hα-helixtrans-112.3-12.5-169.6-68.9-88.8000116F785 F786 S791 K792 I793F785-H789 AromaticContact CD2-CD2 3.7Å; F785-H789 AromaticContact CE2-CD2 3.51Å; F785-H789 AromaticContact CE2-NE2 3.71Å; F785-H789 AromaticContact CZ-CD2 3.94Å; F785-H789 PolarHBondContact O-CD2 3.39Å; F785-H789 PolarHBondContact O-N 3.38Å; F786-H789 PolarHBondContact O-N 3.06Å; H789-S791 PolarHBondContact O-N 3.01Å; H789-K792 WeakPolarHBondContact O-CB 3.47Å; H789-K792 PolarHBondContact O-N 2.84Å; H789-K792 VanDerWaalsContact O-N 3.11Å; H789-I793 HydrophobicContact CB-CD1 4.08Å; H789-I793 WeakPolarHBondContact O-CG1 3.21Å; H789-I793 PolarHBondContact O-N 3.08Å
790I85.3Confident85.8Confident7 Ų742.6 Ų42.64%0.03621%0.206CC..Hα-helixtrans-62.2-38-168.7-17257.5000113.8F786 K792 I793 V794 F907 Q908 V911F786-I790 WeakPolarHBondContact O-CA 3.32Å; F786-I790 WeakPolarHBondContact O-CB 3.44Å; F786-I790 WeakPolarHBondContact O-CG2 3.49Å; F786-I790 PolarHBondContact O-N 3.25Å; I790-K792 PolarHBondContact O-N 3.35Å; I790-I793 PolarHBondContact O-N 2.86Å; I790-V794 HydrophobicContact CD1-CG2 4.27Å; I790-V794 HydrophobicContact CG1-CG2 4.41Å; I790-V794 WeakPolarHBondContact O-CG2 3.32Å; I790-V794 PolarHBondContact O-N 2.92Å; I790-F907 HydrophobicContact CD1-CD1 3.86Å; I790-F907 HydrophobicContact CD1-CE1 4.26Å; I790-Q908 HydrophobicContact CG1-CB 4Å; I790-Q908 HydrophobicContact CG1-CG 4.16Å; I790-Q908 HydrophobicContact CG2-CG 4.24Å; I790-V911 HydrophobicContact CG1-CG2 4.48Å; I790-V911 HydrophobicContact CG2-CG1 4.33Å
791S83.3Confident86.3Confident26 Ų2642.4 Ų42.418%0.18221%0.205CC..Hα-helixtrans-61.7-44.6175.851.30000111.5H789 I793 V794 F795H789-S791 PolarHBondContact O-N 3.01Å; S791-I793 PolarHBondContact O-N 3.39Å; S791-V794 PolarHBondContact O-N 3.19Å; S791-F795 WeakPolarHBondContact O-CD1 3.49Å; S791-F795 VanDerWaalsContact O-CD2 3.3Å; S791-F795 WeakPolarHBondContact O-CD2 3.46Å; S791-F795 WeakPolarHBondContact O-CG 3.42Å; S791-F795 PolarHBondContact O-N 2.96Å
792K86.9Confident86.8Confident77 Ų7739.5 Ų39.534%0.33519%0.19SC..Hα-helixtrans-61.9-42.2175.2-54.6-179.5-176.9-175.70111.8H789 I790 F795 V796H789-K792 WeakPolarHBondContact O-CB 3.47Å; H789-K792 PolarHBondContact O-N 2.84Å; H789-K792 VanDerWaalsContact O-N 3.11Å; I790-K792 PolarHBondContact O-N 3.35Å; K792-F795 PolarHBondContact O-N 3.48Å; K792-V796 WeakPolarHBondContact O-CG2 3.25Å; K792-V796 PolarHBondContact O-N 2.96Å
793I87.7Confident87.1Confident61 Ų6135.5 Ų35.531%0.31317%0.169SC..Hα-helixtrans-63-44.5177.5-66.9165.4000110.7F786 H789 I790 S791 V796 I797F786-I793 HydrophobicContact CD1-CD1 4.26Å; F786-I793 HydrophobicContact CE1-CD1 4.34Å; H789-I793 HydrophobicContact CB-CD1 4.08Å; H789-I793 WeakPolarHBondContact O-CG1 3.21Å; H789-I793 PolarHBondContact O-N 3.08Å; I790-I793 PolarHBondContact O-N 2.86Å; S791-I793 PolarHBondContact O-N 3.39Å; I793-V796 PolarHBondContact O-N 3.3Å; I793-I797 HydrophobicContact CG2-CD1 3.93Å; I793-I797 WeakPolarHBondContact O-CG1 3.35Å; I793-I797 PolarHBondContact O-N 3.13Å
794V88.4Confident87.2Confident2 Ų237.9 Ų37.91%0.01219%0.186CC..Hα-helixtrans-62.7-42.2175.7170.80000111.3I790 S791 V796 I797 I798 A904 L905 Q908I790-V794 HydrophobicContact CD1-CG2 4.27Å; I790-V794 HydrophobicContact CG1-CG2 4.41Å; I790-V794 WeakPolarHBondContact O-CG2 3.32Å; I790-V794 PolarHBondContact O-N 2.92Å; S791-V794 PolarHBondContact O-N 3.19Å; V794-V796 PolarHBondContact O-N 2.85Å; V794-I797 PolarHBondContact O-N 2.66Å; V794-I798 HydrophobicContact CG1-CD1 3.72Å; V794-I798 HydrophobicContact CG1-CG1 4.46Å; V794-I798 WeakPolarHBondContact O-CG1 3.24Å; V794-I798 PolarHBondContact O-N 3.3Å; V794-A904 HydrophobicContact CG2-CB 4.27Å; V794-L905 HydrophobicContact CG1-CD2 3.77Å; V794-L905 HydrophobicContact CG1-CG 4.19Å; V794-Q908 HydrophobicContact CG2-CB 4.15Å
795F89.6Confident87.4Confident24 Ų2437 Ų3711%0.10519%0.186CC..Hα-helixtrans-62.5-40.9175.7-58-25000112.2S791 K792 I798 A799 L817 A820 I821 A827 F1071S791-F795 WeakPolarHBondContact O-CD1 3.49Å; S791-F795 VanDerWaalsContact O-CD2 3.3Å; S791-F795 WeakPolarHBondContact O-CD2 3.46Å; S791-F795 WeakPolarHBondContact O-CG 3.42Å; S791-F795 PolarHBondContact O-N 2.96Å; K792-F795 PolarHBondContact O-N 3.48Å; F795-I798 PolarHBondContact O-N 3.16Å; F795-A799 VanDerWaalsContact O-CB 3.28Å; F795-A799 WeakPolarHBondContact O-CB 3.48Å; F795-A799 PolarHBondContact O-N 3.29Å; F795-L817 HydrophobicContact CB-CD1 3.77Å; F795-L817 HydrophobicContact CD1-CD1 3.91Å; F795-L817 HydrophobicContact CG-CD1 4.04Å; F795-A820 HydrophobicContact CE1-CB 4Å; F795-A820 HydrophobicContact CZ-CB 4.05Å; F795-I821 HydrophobicContact CD2-CG1 4.03Å; F795-I821 HydrophobicContact CE2-CG1 4.45Å; F795-A827 HydrophobicContact CE1-CB 4.44Å; F795-A827 HydrophobicContact CZ-CB 3.8Å; F795-F1071 HydrophobicContact CB-CZ 3.96Å
796V89.5Confident87.5Confident33 Ų3334.7 Ų34.720%0.218%0.178CC..Hα-helixtrans-63.2-44.7174.9170.30000111.5K792 I793 V794 I798 A799 I800 F1071 F1072 L1075K792-V796 WeakPolarHBondContact O-CG2 3.25Å; K792-V796 PolarHBondContact O-N 2.96Å; I793-V796 PolarHBondContact O-N 3.3Å; V794-V796 PolarHBondContact O-N 2.85Å; V796-I798 VanDerWaalsContact C-N 3.33Å; V796-I798 PolarHBondContact O-N 3.15Å; V796-A799 PolarHBondContact O-N 3.41Å; V796-I800 HydrophobicContact CG1-CD1 3.71Å; V796-I800 HydrophobicContact CG1-CG1 4.43Å; V796-I800 VanDerWaalsContact O-CG1 3.32Å; V796-I800 WeakPolarHBondContact O-CG1 3.46Å; V796-I800 PolarHBondContact O-N 3.45Å; V796-F1071 HydrophobicContact CG2-CE1 3.89Å; V796-F1072 HydrophobicContact CG1-CZ 4.25Å; V796-F1072 HydrophobicContact CG2-CE1 4.1Å; V796-F1072 HydrophobicContact CG2-CZ 4.36Å; V796-L1075 HydrophobicContact CG2-CD2 4.26Å
797I90.5Very high87.5Confident50 Ų5034.2 Ų34.226%0.25618%0.177SC..Hα-helixtrans-60-45.3177.5-70.1165.9000110.7I793 V794 F801 V900 A904I793-I797 HydrophobicContact CG2-CD1 3.93Å; I793-I797 WeakPolarHBondContact O-CG1 3.35Å; I793-I797 PolarHBondContact O-N 3.13Å; V794-I797 PolarHBondContact O-N 2.66Å; I797-F801 WeakPolarHBondContact O-CB 3.47Å; I797-F801 PolarHBondContact O-N 3.39Å; I797-V900 HydrophobicContact CG2-CG1 4.15Å; I797-A904 HydrophobicContact CD1-CB 3.79Å; I797-A904 HydrophobicContact CG2-CB 4.34Å
798I90.3Very high87.7Confident3 Ų334 Ų342%0.01518%0.178CC..Hα-helixtrans-68.2-39.9178.9-66.4170.1000111V794 F795 V796 F801 I802 L813 L817 M835 L905V794-I798 HydrophobicContact CG1-CD1 3.72Å; V794-I798 HydrophobicContact CG1-CG1 4.46Å; V794-I798 WeakPolarHBondContact O-CG1 3.24Å; V794-I798 PolarHBondContact O-N 3.3Å; F795-I798 PolarHBondContact O-N 3.16Å; V796-I798 VanDerWaalsContact C-N 3.33Å; V796-I798 PolarHBondContact O-N 3.15Å; I798-F801 PolarHBondContact O-N 3.12Å; I798-I802 HydrophobicContact CG2-CD1 3.7Å; I798-I802 HydrophobicContact CG2-CG1 4.34Å; I798-I802 WeakPolarHBondContact O-CD1 3.19Å; I798-I802 VanDerWaalsContact O-CG1 3.24Å; I798-I802 WeakPolarHBondContact O-CG1 3.43Å; I798-I802 PolarHBondContact O-N 2.83Å; I798-L813 HydrophobicContact CG2-CD2 4Å; I798-L813 HydrophobicContact CG2-CG 4.17Å; I798-L817 HydrophobicContact CG2-CD1 4.42Å; I798-L817 HydrophobicContact CG2-CD2 4.28Å; I798-M835 HydrophobicContact CD1-CE 4.06Å; I798-M835 HydrophobicContact CG2-CE 3.8Å; I798-L905 HydrophobicContact CD1-CD2 4.47Å
799A89.7Confident88.1Confident2 Ų232.7 Ų32.72%0.01717%0.17CC..Hα-helixtrans-61-47.6176.400000112.2F795 V796 F801 I802 A803 L817 F1071F795-A799 VanDerWaalsContact O-CB 3.28Å; F795-A799 WeakPolarHBondContact O-CB 3.48Å; F795-A799 PolarHBondContact O-N 3.29Å; V796-A799 PolarHBondContact O-N 3.41Å; A799-F801 VanDerWaalsContact C-N 3.34Å; A799-F801 PolarHBondContact O-N 3.2Å; A799-I802 PolarHBondContact O-N 3.23Å; A799-A803 VanDerWaalsContact O-CB 3.29Å; A799-A803 WeakPolarHBondContact O-CB 3.28Å; A799-A803 PolarHBondContact O-N 3.45Å; A799-L817 HydrophobicContact CB-CD2 4.02Å; A799-F1071 HydrophobicContact CB-CD1 3.8Å; A799-F1071 HydrophobicContact CB-CD2 3.63Å; A799-F1071 HydrophobicContact CB-CE1 3.78Å; A799-F1071 HydrophobicContact CB-CE2 3.59Å; A799-F1071 HydrophobicContact CB-CG 3.74Å; A799-F1071 HydrophobicContact CB-CZ 3.68Å
800I90.6Very high88.3Confident70 Ų7030 Ų3036%0.35916%0.158SC..Hα-helixtrans-63.4-41.8176.9-66.1167.4000110.7V796 I802 A803 N804 I1068V796-I800 HydrophobicContact CG1-CD1 3.71Å; V796-I800 HydrophobicContact CG1-CG1 4.43Å; V796-I800 VanDerWaalsContact O-CG1 3.32Å; V796-I800 WeakPolarHBondContact O-CG1 3.46Å; V796-I800 PolarHBondContact O-N 3.45Å; I800-I802 PolarHBondContact O-N 3.45Å; I800-A803 PolarHBondContact O-N 3.03Å; I800-N804 WeakPolarHBondContact O-CB 3.33Å; I800-N804 PolarHBondContact O-N 3.44Å; I800-N804 VanDerWaalsContact O-N 3.12Å; I800-I1068 HydrophobicContact CG1-CD1 4.29Å
801F89.7Confident88.5Confident17 Ų1731.4 Ų31.48%0.07517%0.165CC..Hα-helixtrans-60-44.9176.7167.9-113.8000112.4I797 I798 A799 N805 Y810 L813 L839 V898I797-F801 WeakPolarHBondContact O-CB 3.47Å; I797-F801 PolarHBondContact O-N 3.39Å; I798-F801 PolarHBondContact O-N 3.12Å; A799-F801 VanDerWaalsContact C-N 3.34Å; A799-F801 PolarHBondContact O-N 3.2Å; F801-N805 PolarHBondContact O-N 3.39Å; F801-N805 PolarHBondContact O-ND2 3.17Å; F801-Y810 AromaticContact CE1-CD1 3.95Å; F801-Y810 HydrophobicContact CE1-CD1 3.95Å; F801-Y810 AromaticContact CE1-CE1 3.59Å; F801-Y810 HydrophobicContact CE1-CE1 3.59Å; F801-Y810 HydrophobicContact CZ-CD1 4.3Å; F801-Y810 AromaticContact CZ-CE1 3.54Å; F801-Y810 HydrophobicContact CZ-CE1 3.54Å; F801-Y810 HydrophobicContact CZ-CE2 4.45Å; F801-Y810 AromaticContact CZ-CZ 3.63Å; F801-L813 HydrophobicContact CD1-CD2 4.21Å; F801-L813 HydrophobicContact CE1-CD2 4.12Å; F801-L839 HydrophobicContact CE1-CD2 3.99Å; F801-V898 HydrophobicContact CE1-CG2 4.46Å; F801-V898 HydrophobicContact CE2-CG2 4.08Å; F801-V898 HydrophobicContact CZ-CG2 3.6Å
802I90.9Very high88.9Confident0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-70.2-44.9178.1-62.1161.3000111.5I798 A799 I800 N804 N805 L813 V814 L817 F1018I798-I802 HydrophobicContact CG2-CD1 3.7Å; I798-I802 HydrophobicContact CG2-CG1 4.34Å; I798-I802 WeakPolarHBondContact O-CD1 3.19Å; I798-I802 VanDerWaalsContact O-CG1 3.24Å; I798-I802 WeakPolarHBondContact O-CG1 3.43Å; I798-I802 PolarHBondContact O-N 2.83Å; A799-I802 PolarHBondContact O-N 3.23Å; I800-I802 PolarHBondContact O-N 3.45Å; I802-N804 PolarHBondContact O-N 2.97Å; I802-N805 CarbonylContact O-C 3.59Å; I802-N805 VanDerWaalsContact O-C 3.24Å; I802-N805 PolarHBondContact O-N 3.01Å; I802-N805 VanDerWaalsContact O-O 3.14Å; I802-L813 HydrophobicContact CD1-CB 3.94Å; I802-L813 HydrophobicContact CD1-CD2 3.86Å; I802-L813 HydrophobicContact CD1-CG 3.98Å; I802-L813 HydrophobicContact CG1-CB 4.4Å; I802-L813 HydrophobicContact CG1-CD2 3.78Å; I802-L813 HydrophobicContact CG1-CG 4.42Å; I802-V814 HydrophobicContact CD1-CG2 4.08Å; I802-V814 HydrophobicContact CG2-CG2 3.56Å; I802-L817 HydrophobicContact CD1-CD2 4.14Å; I802-F1018 HydrophobicContact CG2-CD2 4.04Å; I802-F1018 HydrophobicContact CG2-CE2 3.33Å; I802-F1018 HydrophobicContact CG2-CZ 3.62Å
803A88.4Confident89Confident2 Ų228.9 Ų28.92%0.01716%0.156CC..Hα-helixtrans-61-30.6-178.600000112.4A799 I800 I806 S1064 L1067 I1068A799-A803 VanDerWaalsContact O-CB 3.29Å; A799-A803 WeakPolarHBondContact O-CB 3.28Å; A799-A803 PolarHBondContact O-N 3.45Å; I800-A803 PolarHBondContact O-N 3.03Å; A803-I806 WeakPolarHBondContact O-CG1 3.34Å; A803-S1064 WeakPolarHBondContact O-CB 3.41Å; A803-L1067 HydrophobicContact CB-CB 4.17Å; A803-L1067 HydrophobicContact CB-CD1 4.48Å; A803-I1068 HydrophobicContact CB-CD1 4.16Å; A803-I1068 HydrophobicContact CB-CG1 3.83Å
804N87.9Confident89.2Confident98 Ų9826.1 Ų26.152%0.52414%0.142SC..THydrogen-bonded Turntrans-84.3-8.3174.9-70.3-8.4000114.4I800 I802 S1064I800-N804 WeakPolarHBondContact O-CB 3.33Å; I800-N804 PolarHBondContact O-N 3.44Å; I800-N804 VanDerWaalsContact O-N 3.12Å; I802-N804 PolarHBondContact O-N 2.97Å; N804-S1064 WeakPolarHBondContact OD1-CB 3.49Å; N804-S1064 PolarHBondContact OD1-OG 3.33Å
805N85.8Confident89.3Confident54 Ų5429.4 Ų29.429%0.28916%0.159SC..  trans-133.477.9180-63.4-92000109.4F801 I802 N807 Y810F801-N805 PolarHBondContact O-N 3.39Å; F801-N805 PolarHBondContact O-ND2 3.17Å; I802-N805 CarbonylContact O-C 3.59Å; I802-N805 VanDerWaalsContact O-C 3.24Å; I802-N805 PolarHBondContact O-N 3.01Å; I802-N805 VanDerWaalsContact O-O 3.14Å; N805-N807 PolarHBondContact O-N 2.78Å; N805-Y810 HydrophobicContact CB-CD2 4.02Å; N805-Y810 HydrophobicContact CB-CE2 3.73Å; N805-Y810 VanDerWaalsContact O-CD2 3.25Å; N805-Y810 WeakPolarHBondContact O-CD2 3.21Å
806I86.3Confident89.4Confident42 Ų4230 Ų3022%0.21516%0.163CC..  trans-8069.4-174.7-49.8176.6000110.1A803 F1018 Y1021 V1022 W1062A803-I806 WeakPolarHBondContact O-CG1 3.34Å; I806-F1018 HydrophobicContact CB-CE2 4.44Å; I806-F1018 HydrophobicContact CG1-CE2 4.48Å; I806-F1018 HydrophobicContact CG2-CE2 4.08Å; I806-F1018 HydrophobicContact CG2-CZ 4.37Å; I806-Y1021 HydrophobicContact CD1-CD2 4.31Å; I806-V1022 HydrophobicContact CG2-CG2 3.79Å; I806-W1062 HydrophobicContact CD1-CB 4.21Å
807N86.2Confident89.4Confident41 Ų4128.4 Ų28.422%0.21915%0.153CC..  trans-120.6150.8-176.1-52.913.8000110.4N805 L809 Y810 G881N805-N807 PolarHBondContact O-N 2.78Å; N807-L809 PolarHBondContact O-N 3.42Å; N807-L809 VanDerWaalsContact O-N 3.13Å; N807-Y810 HydrophobicContact CB-CD2 4.04Å; N807-Y810 HydrophobicContact CB-CE2 4.24Å; N807-Y810 PolarHBondContact O-N 2.93Å; N807-G881 VanDerWaalsContact ND2-CA 3.28Å; N807-G881 WeakPolarHBondContact ND2-CA 3.37Å
808A87.7Confident89.3Confident11 Ų1126.6 Ų26.69%0.09115%0.145CC..G310 helixtrans-58.7-31.3-177.600000113.5Y810 I811 W879 F880 V1022A808-Y810 PolarHBondContact O-N 3.08Å; A808-Y810 VanDerWaalsContact O-N 3.08Å; A808-I811 HydrophobicContact CB-CD1 4.2Å; A808-I811 WeakPolarHBondContact O-CB 3.19Å; A808-I811 WeakPolarHBondContact O-CG1 2.89Å; A808-I811 PolarHBondContact O-N 3.11Å; A808-I811 VanDerWaalsContact O-N 3.16Å; A808-W879 HydrophobicContact CB-CD2 4.38Å; A808-W879 HydrophobicContact CB-CE3 4.14Å; A808-W879 HydrophobicContact CB-CH2 3.81Å; A808-W879 HydrophobicContact CB-CZ2 4.05Å; A808-W879 HydrophobicContact CB-CZ3 3.86Å; A808-W879 PolarHBondContact N-O 2.82Å; A808-F880 HydrophobicContact CB-CD2 4.35Å; A808-V1022 HydrophobicContact CB-CG1 4.17Å
809L88.5Confident89.2Confident9 Ų930 Ų305%0.04716%0.162CC..G310 helixtrans-56.8-21.3175.7-170.264.6000114.3N807 Y838 V842 F880N807-L809 PolarHBondContact O-N 3.42Å; N807-L809 VanDerWaalsContact O-N 3.13Å; L809-Y838 WeakPolarHBondContact O-CE1 3.49Å; L809-Y838 PolarHBondContact O-OH 3.42Å; L809-V842 HydrophobicContact CD1-CG2 4.09Å; L809-V842 HydrophobicContact CD2-CB 4.38Å; L809-V842 HydrophobicContact CD2-CG1 3.75Å; L809-V842 HydrophobicContact CD2-CG2 3.93Å; L809-V842 HydrophobicContact CG-CG2 3.89Å; L809-F880 WeakPolarHBondContact CB-O 3.48Å; L809-F880 HydrophobicContact CD1-CE1 3.85Å; L809-F880 HydrophobicContact CD1-CZ 4.05Å; L809-F880 PolarHBondContact N-O 2.89Å; L809-F880 VanDerWaalsContact N-O 3.08Å
810Y91.4Very high89.1Confident1 Ų130 Ų300%0.00416%0.163CC..G310 helixtrans-97.5-2.2-178.4-58.9-61.7000114.4F801 N805 N807 A808 L813 V814 V842 K846F801-Y810 AromaticContact CE1-CD1 3.95Å; F801-Y810 HydrophobicContact CE1-CD1 3.95Å; F801-Y810 AromaticContact CE1-CE1 3.59Å; F801-Y810 HydrophobicContact CE1-CE1 3.59Å; F801-Y810 HydrophobicContact CZ-CD1 4.3Å; F801-Y810 AromaticContact CZ-CE1 3.54Å; F801-Y810 HydrophobicContact CZ-CE1 3.54Å; F801-Y810 HydrophobicContact CZ-CE2 4.45Å; F801-Y810 AromaticContact CZ-CZ 3.63Å; N805-Y810 HydrophobicContact CB-CD2 4.02Å; N805-Y810 HydrophobicContact CB-CE2 3.73Å; N805-Y810 VanDerWaalsContact O-CD2 3.25Å; N805-Y810 WeakPolarHBondContact O-CD2 3.21Å; N807-Y810 HydrophobicContact CB-CD2 4.04Å; N807-Y810 HydrophobicContact CB-CE2 4.24Å; N807-Y810 PolarHBondContact O-N 2.93Å; A808-Y810 PolarHBondContact O-N 3.08Å; A808-Y810 VanDerWaalsContact O-N 3.08Å; Y810-L813 HydrophobicContact CD1-CD2 4.22Å; Y810-L813 WeakPolarHBondContact O-CA 3.25Å; Y810-L813 WeakPolarHBondContact O-CB 3.42Å; Y810-L813 PolarHBondContact O-N 3.25Å; Y810-V814 PolarHBondContact O-N 2.74Å; Y810-V814 VanDerWaalsContact O-N 3.1Å; Y810-V842 HydrophobicContact CE1-CG1 4.24Å; Y810-K846 PolarHBondContact OH-NZ 2.87Å
811I89.9Confident88.9Confident36 Ų3627.4 Ų27.419%0.18515%0.15CC..Hα-helixtrans-51.5-48.4175.5-72.5168.5000112.8A808 L813 V814 I815 F1018 F1019A808-I811 HydrophobicContact CB-CD1 4.2Å; A808-I811 WeakPolarHBondContact O-CB 3.19Å; A808-I811 WeakPolarHBondContact O-CG1 2.89Å; A808-I811 PolarHBondContact O-N 3.11Å; A808-I811 VanDerWaalsContact O-N 3.16Å; I811-L813 PolarHBondContact O-N 3.31Å; I811-V814 PolarHBondContact O-N 2.87Å; I811-I815 HydrophobicContact CG2-CD1 4.05Å; I811-I815 WeakPolarHBondContact O-CG1 3.29Å; I811-I815 PolarHBondContact O-N 3.31Å; I811-F1018 HydrophobicContact CG1-CD1 4.25Å; I811-F1018 HydrophobicContact CG1-CE1 3.94Å; I811-F1019 HydrophobicContact CB-CE1 4.38Å; I811-F1019 HydrophobicContact CD1-CD1 4.1Å; I811-F1019 HydrophobicContact CD1-CE1 3.96Å; I811-F1019 HydrophobicContact CG1-CD1 4.33Å; I811-F1019 HydrophobicContact CG1-CE1 4.07Å; I811-F1019 HydrophobicContact CG2-CD1 4.45Å; I811-F1019 HydrophobicContact CG2-CE1 3.43Å; I811-F1019 VanDerWaalsContact CG2-CE1 3.43Å; I811-F1019 HydrophobicContact CG2-CZ 3.78Å
812P90.3Very high88.7Confident51 Ų5129.5 Ų29.533%0.33117%0.165SC..Hα-helixtrans-62.6-30.7178-23.636.2000112.8L816 Y838P812-L816 WeakPolarHBondContact O-CB 3.47Å; P812-L816 VanDerWaalsContact O-CG 3.28Å; P812-L816 WeakPolarHBondContact O-CG 3.38Å; P812-L816 PolarHBondContact O-N 3.24Å; P812-Y838 HydrophobicContact CB-CE1 4.43Å; P812-Y838 HydrophobicContact CG-CE1 4.46Å
813L90.5Very high88.3Confident0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-69.2-39.3178.8-146.373.3000110.9I798 F801 I802 Y810 I811 L817 M835 Y838 L839I798-L813 HydrophobicContact CG2-CD2 4Å; I798-L813 HydrophobicContact CG2-CG 4.17Å; F801-L813 HydrophobicContact CD1-CD2 4.21Å; F801-L813 HydrophobicContact CE1-CD2 4.12Å; I802-L813 HydrophobicContact CD1-CB 3.94Å; I802-L813 HydrophobicContact CD1-CD2 3.86Å; I802-L813 HydrophobicContact CD1-CG 3.98Å; I802-L813 HydrophobicContact CG1-CB 4.4Å; I802-L813 HydrophobicContact CG1-CD2 3.78Å; I802-L813 HydrophobicContact CG1-CG 4.42Å; Y810-L813 HydrophobicContact CD1-CD2 4.22Å; Y810-L813 WeakPolarHBondContact O-CA 3.25Å; Y810-L813 WeakPolarHBondContact O-CB 3.42Å; Y810-L813 PolarHBondContact O-N 3.25Å; I811-L813 PolarHBondContact O-N 3.31Å; L813-L817 WeakPolarHBondContact O-CB 3.33Å; L813-L817 PolarHBondContact O-N 2.66Å; L813-M835 HydrophobicContact CD1-CB 4.44Å; L813-M835 HydrophobicContact CD1-CE 3.65Å; L813-M835 HydrophobicContact CD1-SD 3.41Å; L813-M835 WeakPolarHBondContact CD1-SD 3.36Å; L813-M835 HydrophobicContact CG-CE 3.64Å; L813-M835 HydrophobicContact CG-SD 3.98Å; L813-Y838 HydrophobicContact CD1-CD1 4.18Å; L813-L839 HydrophobicContact CD1-CD2 4.39Å; L813-L839 HydrophobicContact CD1-CG 4.27Å; L813-L839 HydrophobicContact CD2-CD2 4.01Å
814V91.6Very high87.7Confident3 Ų338.1 Ų38.12%0.01822%0.216CC..Hα-helixtrans-64.1-46.7174.1177.40000111.7I802 Y810 I811 L817 S818 Y1014 P1015 F1018I802-V814 HydrophobicContact CD1-CG2 4.08Å; I802-V814 HydrophobicContact CG2-CG2 3.56Å; Y810-V814 PolarHBondContact O-N 2.74Å; Y810-V814 VanDerWaalsContact O-N 3.1Å; I811-V814 PolarHBondContact O-N 2.87Å; V814-L817 PolarHBondContact O-N 3.39Å; V814-S818 PolarHBondContact O-N 3.47Å; V814-S818 PolarHBondContact O-OG 3.45Å; V814-Y1014 HydrophobicContact CG1-CD1 4.15Å; V814-Y1014 HydrophobicContact CG1-CE1 3.88Å; V814-P1015 HydrophobicContact CG1-CB 4.25Å; V814-P1015 HydrophobicContact CG1-CG 4.34Å; V814-F1018 HydrophobicContact CG1-CB 4.34Å; V814-F1018 HydrophobicContact CG2-CB 4.48Å; V814-F1018 HydrophobicContact CG2-CD1 3.73Å; V814-F1018 HydrophobicContact CG2-CD2 4.1Å; V814-F1018 HydrophobicContact CG2-CE1 3.92Å; V814-F1018 HydrophobicContact CG2-CE2 4.28Å; V814-F1018 HydrophobicContact CG2-CG 3.82Å; V814-F1018 HydrophobicContact CG2-CZ 4.19Å
815I90.9Very high87.1Confident71 Ų7138.9 Ų38.936%0.36423%0.229SC..Hα-helixtrans-61.5-50.2179.5-63167.8000109.7I811 L817 S818 L819 F1019I811-I815 HydrophobicContact CG2-CD1 4.05Å; I811-I815 WeakPolarHBondContact O-CG1 3.29Å; I811-I815 PolarHBondContact O-N 3.31Å; I815-L817 VanDerWaalsContact C-N 3.3Å; I815-L817 PolarHBondContact O-N 3.43Å; I815-S818 PolarHBondContact O-N 2.8Å; I815-S818 PolarHBondContact O-OG 2.67Å; I815-L819 HydrophobicContact CG2-CD1 3.94Å; I815-L819 WeakPolarHBondContact O-CB 3.36Å; I815-L819 WeakPolarHBondContact O-CG 3.46Å; I815-L819 PolarHBondContact O-N 2.92Å; I815-F1019 HydrophobicContact CD1-CZ 4.25Å
816L90.2Very high86.9Confident36 Ų3637.8 Ų37.819%0.18823%0.227CC..Hα-helixtrans-62.1-34.8177.5-72.6170.8000112.9P812 A820 F831 M835P812-L816 WeakPolarHBondContact O-CB 3.47Å; P812-L816 VanDerWaalsContact O-CG 3.28Å; P812-L816 WeakPolarHBondContact O-CG 3.38Å; P812-L816 PolarHBondContact O-N 3.24Å; L816-A820 WeakPolarHBondContact O-CB 3.31Å; L816-A820 PolarHBondContact O-N 3.14Å; L816-F831 HydrophobicContact CD2-CD1 3.85Å; L816-F831 HydrophobicContact CD2-CE1 4.24Å; L816-M835 HydrophobicContact CB-CE 4.36Å; L816-M835 HydrophobicContact CB-CG 4.4Å; L816-M835 HydrophobicContact CB-SD 3.36Å; L816-M835 WeakPolarHBondContact CB-SD 3.44Å; L816-M835 HydrophobicContact CD1-CG 4.4Å; L816-M835 HydrophobicContact CD1-SD 3.66Å; L816-M835 HydrophobicContact CG-SD 4.16Å
817L90.5Very high86.4Confident0 Ų035.9 Ų35.90%022%0.218CC..Hα-helixtrans-68-46.2176.5-177.565.3000112.5F795 I798 A799 I802 L813 V814 I815 A820 I821 M835 F1071F795-L817 HydrophobicContact CB-CD1 3.77Å; F795-L817 HydrophobicContact CD1-CD1 3.91Å; F795-L817 HydrophobicContact CG-CD1 4.04Å; I798-L817 HydrophobicContact CG2-CD1 4.42Å; I798-L817 HydrophobicContact CG2-CD2 4.28Å; A799-L817 HydrophobicContact CB-CD2 4.02Å; I802-L817 HydrophobicContact CD1-CD2 4.14Å; L813-L817 WeakPolarHBondContact O-CB 3.33Å; L813-L817 PolarHBondContact O-N 2.66Å; V814-L817 PolarHBondContact O-N 3.39Å; I815-L817 VanDerWaalsContact C-N 3.3Å; I815-L817 PolarHBondContact O-N 3.43Å; L817-A820 PolarHBondContact O-N 2.7Å; L817-I821 PolarHBondContact O-N 3.31Å; L817-I821 VanDerWaalsContact O-N 3.15Å; L817-M835 HydrophobicContact CB-CE 4.33Å; L817-F1071 HydrophobicContact CD1-CE2 4.29Å; L817-F1071 HydrophobicContact CD2-CD2 4.31Å; L817-F1071 HydrophobicContact CD2-CE2 3.82Å; L817-F1071 HydrophobicContact CG-CE2 4.07Å
818S89.1Confident85.8Confident11 Ų1135.9 Ų35.98%0.07722%0.218CC..Hα-helixtrans-62.2-43.9176.765.10000111.6V814 I815 A820 I821 C822V814-S818 PolarHBondContact O-N 3.47Å; V814-S818 PolarHBondContact O-OG 3.45Å; I815-S818 PolarHBondContact O-N 2.8Å; I815-S818 PolarHBondContact O-OG 2.67Å; S818-A820 PolarHBondContact O-N 3.02Å; S818-I821 PolarHBondContact O-N 2.73Å; S818-C822 PolarHBondContact O-N 3.29Å; S818-C822 PolarHBondContact O-SG 2.91Å
819L87.8Confident85.3Confident74 Ų7437.4 Ų37.439%0.38724%0.235SC..Hα-helixtrans-63.3-39.2174.2-68.8173.5000112.5I815 I821 C822 L823I815-L819 HydrophobicContact CG2-CD1 3.94Å; I815-L819 WeakPolarHBondContact O-CB 3.36Å; I815-L819 WeakPolarHBondContact O-CG 3.46Å; I815-L819 PolarHBondContact O-N 2.92Å; L819-I821 VanDerWaalsContact C-N 3.32Å; L819-I821 PolarHBondContact O-N 3.37Å; L819-C822 PolarHBondContact O-N 3.41Å; L819-L823 WeakPolarHBondContact O-CB 3.4Å; L819-L823 PolarHBondContact O-N 2.76Å
820A86.5Confident85.2Confident4 Ų441.8 Ų41.83%0.03326%0.257CS..Hα-helixtrans-64.7-33.5178.300000113.2F795 L816 L817 S818 L823 A827 F831F795-A820 HydrophobicContact CE1-CB 4Å; F795-A820 HydrophobicContact CZ-CB 4.05Å; L816-A820 WeakPolarHBondContact O-CB 3.31Å; L816-A820 PolarHBondContact O-N 3.14Å; L817-A820 PolarHBondContact O-N 2.7Å; S818-A820 PolarHBondContact O-N 3.02Å; A820-L823 CarbonylContact O-C 3.35Å; A820-A827 HydrophobicContact CB-CB 3.88Å; A820-F831 HydrophobicContact CB-CD2 4.19Å
821I87.3Confident84.9Confident15 Ų1543.5 Ų43.58%0.07727%0.265CS..Hα-helixtrans-71.5-41.3174.6-71.7167.9000111.1F795 L817 S818 L819 F1071 L1074 S1078F795-I821 HydrophobicContact CD2-CG1 4.03Å; F795-I821 HydrophobicContact CE2-CG1 4.45Å; L817-I821 PolarHBondContact O-N 3.31Å; L817-I821 VanDerWaalsContact O-N 3.15Å; S818-I821 PolarHBondContact O-N 2.73Å; L819-I821 VanDerWaalsContact C-N 3.32Å; L819-I821 PolarHBondContact O-N 3.37Å; I821-F1071 HydrophobicContact CD1-CD2 4.16Å; I821-F1071 HydrophobicContact CD1-CE2 3.39Å; I821-F1071 HydrophobicContact CD1-CZ 3.9Å; I821-L1074 HydrophobicContact CG2-CG 4.37Å; I821-S1078 WeakPolarHBondContact CG2-OG 3.32Å
822C84.4Confident84.7Confident60 Ų6042.2 Ų42.241%0.40526%0.259SS..Hα-helixtrans-70.8-30177-64.40000113.3S818 L819 P824S818-C822 PolarHBondContact O-N 3.29Å; S818-C822 PolarHBondContact O-SG 2.91Å; L819-C822 PolarHBondContact O-N 3.41Å; C822-P824 WeakPolarHBondContact O-CD 3.41Å
823L82.7Confident84.5Confident88 Ų8843 Ų4346%0.46126%0.26SS..  trans-123.770.6-174-61.3174.5000112.3L819 A820 S825 A826 F831L819-L823 WeakPolarHBondContact O-CB 3.4Å; L819-L823 PolarHBondContact O-N 2.76Å; A820-L823 CarbonylContact O-C 3.35Å; L823-S825 PolarHBondContact O-N 2.93Å; L823-A826 PolarHBondContact O-N 2.87Å; L823-F831 HydrophobicContact CB-CE2 4.49Å
824P76.1Confident84.5Confident95 Ų9548.5 Ų48.562%0.61728%0.284SS*.Hα-helixtrans-64.4-17-172.425.1-35.6000114.9C822C822-P824 WeakPolarHBondContact O-CD 3.41Å
825S75.8Confident84.4Confident114 Ų11448.9 Ų48.980%0.79729%0.286SS*.Hα-helixtrans-74.1-34.3177.650.70000113.7L823L823-S825 PolarHBondContact O-N 2.93Å
826A81.9Confident84.3Confident31 Ų3145.7 Ų45.726%0.25627%0.27SS..Hα-helixtrans-87.1-20.1-179.800000112.8L823 G829 I830 F831L823-A826 PolarHBondContact O-N 2.87Å; A826-G829 PolarHBondContact O-N 3.11Å; A826-I830 PolarHBondContact O-N 2.94Å; A826-F831 HydrophobicContact CB-CD2 4.01Å; A826-F831 HydrophobicContact CB-CE2 3.64Å; A826-F831 HydrophobicContact CB-CZ 4.25Å; A826-F831 PolarHBondContact O-N 3.03Å
827A76.1Confident84.2Confident3 Ų346.5 Ų46.53%0.02528%0.282CS..Iπ-helixtrans-65.3-45.7-170.100000114.6F795 A820 G829 F831 S832F795-A827 HydrophobicContact CE1-CB 4.44Å; F795-A827 HydrophobicContact CZ-CB 3.8Å; A820-A827 HydrophobicContact CB-CB 3.88Å; A827-G829 PolarHBondContact O-N 3.45Å; A827-F831 HydrophobicContact CB-CD2 4.48Å; A827-S832 WeakPolarHBondContact O-CB 3.17Å; A827-S832 PolarHBondContact O-N 2.74Å; A827-S832 VanDerWaalsContact O-N 3.12Å
828D73.9Confident84.2Confident41 Ų4149.5 Ų49.522%0.21929%0.294CS..Iπ-helixtrans-65.4-19.5-179.2-78.4-30000113.8S832 Q908 I912 R929D828-S832 PolarHBondContact O-OG 3.22Å; D828-Q908 PolarHBondContact OD1-NE2 2.62Å; D828-I912 HydrophobicContact CB-CD1 4.47Å; D828-R929 IonicContact OD2-CZ 2.69Å; D828-R929 IonicContact OD2-NH1 2.76Å; D828-R929 IonicContact OD2-NH2 2.97Å; D828-R929 PolarHBondContact OD2-NH2 2.92Å
829G77.3Confident84.3Confident43 Ų4349 Ų4944%0.44329%0.29SS..Iπ-helixtrans-105.6-93-17900000111.9A826 A827 S832 L833A826-G829 PolarHBondContact O-N 3.11Å; A827-G829 PolarHBondContact O-N 3.45Å; G829-S832 PolarHBondContact O-N 3.29Å; G829-S832 PolarHBondContact O-OG 2.94Å; G829-L833 PolarHBondContact O-N 3.4Å; G829-L833 VanDerWaalsContact O-N 3.16Å
830I84.4Confident84.4Confident101 Ų10145.8 Ų45.852%0.51827%0.273SS..Iπ-helixtrans-65.2-49.3-165.9-62.9172000111.5A826 S832 L833 F834A826-I830 PolarHBondContact O-N 2.94Å; I830-S832 PolarHBondContact O-N 3.41Å; I830-L833 WeakPolarHBondContact O-CB 3.45Å; I830-L833 PolarHBondContact O-N 2.66Å; I830-F834 HydrophobicContact CG2-CD2 3.68Å; I830-F834 HydrophobicContact CG2-CE2 3.26Å; I830-F834 HydrophobicContact CG2-CZ 4.01Å; I830-F834 PolarHBondContact O-N 2.94Å
831F87Confident84.5Confident36 Ų3650.8 Ų50.816%0.15830%0.299CS..Iπ-helixtrans-65.3-42.5-179.7-58.5-42.2000111.3L816 A820 L823 A826 A827 L833 F834 M835L816-F831 HydrophobicContact CD2-CD1 3.85Å; L816-F831 HydrophobicContact CD2-CE1 4.24Å; A820-F831 HydrophobicContact CB-CD2 4.19Å; L823-F831 HydrophobicContact CB-CE2 4.49Å; A826-F831 HydrophobicContact CB-CD2 4.01Å; A826-F831 HydrophobicContact CB-CE2 3.64Å; A826-F831 HydrophobicContact CB-CZ 4.25Å; A826-F831 PolarHBondContact O-N 3.03Å; A827-F831 HydrophobicContact CB-CD2 4.48Å; F831-L833 PolarHBondContact O-N 3.34Å; F831-F834 PolarHBondContact O-N 3.22Å; F831-M835 WeakPolarHBondContact O-CB 3.31Å; F831-M835 WeakPolarHBondContact O-CG 3.34Å; F831-M835 PolarHBondContact O-N 3.07Å
832S85.2Confident84.5Confident10 Ų1050.1 Ų50.17%0.0730%0.295CS..Hα-helixtrans-60.3-30.9176.290.20000113.5K634 A827 D828 G829 I830 C836K634-S832 PolarHBondContact NZ-OG 2.69Å; A827-S832 WeakPolarHBondContact O-CB 3.17Å; A827-S832 PolarHBondContact O-N 2.74Å; A827-S832 VanDerWaalsContact O-N 3.12Å; D828-S832 PolarHBondContact O-OG 3.22Å; G829-S832 PolarHBondContact O-N 3.29Å; G829-S832 PolarHBondContact O-OG 2.94Å; I830-S832 PolarHBondContact O-N 3.41Å; S832-C836 VanDerWaalsContact O-CB 3.28Å; S832-C836 WeakPolarHBondContact O-CB 3.28Å; S832-C836 PolarHBondContact O-N 3.47Å
833L86.4Confident84.7Confident67 Ų6747.2 Ų47.235%0.35128%0.276SS..Hα-helixtrans-71.4-49175.5-175.373.1000111.3G829 I830 F831 C836 A837G829-L833 PolarHBondContact O-N 3.4Å; G829-L833 VanDerWaalsContact O-N 3.16Å; I830-L833 WeakPolarHBondContact O-CB 3.45Å; I830-L833 PolarHBondContact O-N 2.66Å; F831-L833 PolarHBondContact O-N 3.34Å; L833-C836 PolarHBondContact O-N 2.95Å; L833-A837 WeakPolarHBondContact O-CB 3.5Å; L833-A837 PolarHBondContact O-N 3.1Å
834F89.2Confident84.9Confident116 Ų11645.5 Ų45.551%0.50927%0.267SS..Hα-helixtrans-63.6-41.7178.7-68.6-39000112.3I830 F831 C836 A837 Y838I830-F834 HydrophobicContact CG2-CD2 3.68Å; I830-F834 HydrophobicContact CG2-CE2 3.26Å; I830-F834 HydrophobicContact CG2-CZ 4.01Å; I830-F834 PolarHBondContact O-N 2.94Å; F831-F834 PolarHBondContact O-N 3.22Å; F834-C836 VanDerWaalsContact C-N 3.32Å; F834-C836 PolarHBondContact O-N 3.31Å; F834-A837 PolarHBondContact O-N 2.93Å; F834-Y838 VanDerWaalsContact O-CB 3.25Å; F834-Y838 WeakPolarHBondContact O-CB 3.5Å; F834-Y838 PolarHBondContact O-N 2.89Å
835M89.1Confident85.4Confident10 Ų1042.8 Ų42.85%0.04925%0.25CC..Hα-helixtrans-59-43.9174.1-62.4-74.8-88.900111.1I798 L813 L816 L817 F831 L839 L905I798-M835 HydrophobicContact CD1-CE 4.06Å; I798-M835 HydrophobicContact CG2-CE 3.8Å; L813-M835 HydrophobicContact CD1-CB 4.44Å; L813-M835 HydrophobicContact CD1-CE 3.65Å; L813-M835 HydrophobicContact CD1-SD 3.41Å; L813-M835 WeakPolarHBondContact CD1-SD 3.36Å; L813-M835 HydrophobicContact CG-CE 3.64Å; L813-M835 HydrophobicContact CG-SD 3.98Å; L816-M835 HydrophobicContact CB-CE 4.36Å; L816-M835 HydrophobicContact CB-CG 4.4Å; L816-M835 HydrophobicContact CB-SD 3.36Å; L816-M835 WeakPolarHBondContact CB-SD 3.44Å; L816-M835 HydrophobicContact CD1-CG 4.4Å; L816-M835 HydrophobicContact CD1-SD 3.66Å; L816-M835 HydrophobicContact CG-SD 4.16Å; L817-M835 HydrophobicContact CB-CE 4.33Å; F831-M835 WeakPolarHBondContact O-CB 3.31Å; F831-M835 WeakPolarHBondContact O-CG 3.34Å; F831-M835 PolarHBondContact O-N 3.07Å; M835-L839 WeakPolarHBondContact O-CB 3.3Å; M835-L839 VanDerWaalsContact O-CG 3.23Å; M835-L839 WeakPolarHBondContact O-CG 3.34Å; M835-L839 PolarHBondContact O-N 3.46Å; M835-L905 HydrophobicContact CB-CD1 4.31Å
836C89Confident86Confident5 Ų538 Ų383%0.03422%0.215CC..Hα-helixtrans-65.5-47.8178.7-159.80000112S832 L833 F834 Y838 L839 F840 L905S832-C836 VanDerWaalsContact O-CB 3.28Å; S832-C836 WeakPolarHBondContact O-CB 3.28Å; S832-C836 PolarHBondContact O-N 3.47Å; L833-C836 PolarHBondContact O-N 2.95Å; F834-C836 VanDerWaalsContact C-N 3.32Å; F834-C836 PolarHBondContact O-N 3.31Å; C836-Y838 PolarHBondContact O-N 2.9Å; C836-L839 PolarHBondContact O-N 3.29Å; C836-F840 WeakPolarHBondContact O-CD2 3.37Å; C836-F840 PolarHBondContact O-N 3.1Å; C836-F840 WeakPolarHBondContact SG-CE2 3.29Å; C836-L905 HydrophobicContact CB-CD1 4.01Å
837A88.6Confident86.1Confident53 Ų5336.7 Ų36.744%0.43820%0.203SC..Hα-helixtrans-62.9-40.6178.500000112.3L833 F834 F840 L841L833-A837 WeakPolarHBondContact O-CB 3.5Å; L833-A837 PolarHBondContact O-N 3.1Å; F834-A837 PolarHBondContact O-N 2.93Å; A837-F840 PolarHBondContact O-N 2.91Å; A837-L841 PolarHBondContact O-N 3.34Å; A837-L841 VanDerWaalsContact O-N 3.08Å
838Y91.3Very high86.6Confident63 Ų6340.7 Ų40.725%0.24722%0.223CC..Hα-helixtrans-65.2-44.3176.3-168.9-105.9000111.7L809 P812 L813 F834 C836 F840 L841 V842L809-Y838 WeakPolarHBondContact O-CE1 3.49Å; L809-Y838 PolarHBondContact O-OH 3.42Å; P812-Y838 HydrophobicContact CB-CE1 4.43Å; P812-Y838 HydrophobicContact CG-CE1 4.46Å; L813-Y838 HydrophobicContact CD1-CD1 4.18Å; F834-Y838 VanDerWaalsContact O-CB 3.25Å; F834-Y838 WeakPolarHBondContact O-CB 3.5Å; F834-Y838 PolarHBondContact O-N 2.89Å; C836-Y838 PolarHBondContact O-N 2.9Å; Y838-F840 VanDerWaalsContact C-N 3.32Å; Y838-F840 PolarHBondContact O-N 3.48Å; Y838-L841 PolarHBondContact O-N 2.97Å; Y838-L841 VanDerWaalsContact O-N 3.15Å; Y838-V842 HydrophobicContact CD1-CG2 4.06Å; Y838-V842 HydrophobicContact CE1-CG2 3.8Å; Y838-V842 WeakPolarHBondContact O-CG2 3.47Å; Y838-V842 PolarHBondContact O-N 3.34Å
839L90.5Very high87.2Confident0 Ų040 Ų400%022%0.218CC..Hα-helixtrans-62.2-35.1175.9-73.4169.2000112.9F801 L813 M835 C836 A843 V898 I902 L905F801-L839 HydrophobicContact CE1-CD2 3.99Å; L813-L839 HydrophobicContact CD1-CD2 4.39Å; L813-L839 HydrophobicContact CD1-CG 4.27Å; L813-L839 HydrophobicContact CD2-CD2 4.01Å; M835-L839 WeakPolarHBondContact O-CB 3.3Å; M835-L839 VanDerWaalsContact O-CG 3.23Å; M835-L839 WeakPolarHBondContact O-CG 3.34Å; M835-L839 PolarHBondContact O-N 3.46Å; C836-L839 PolarHBondContact O-N 3.29Å; L839-A843 WeakPolarHBondContact O-CB 3.41Å; L839-A843 PolarHBondContact O-N 3.23Å; L839-V898 HydrophobicContact CB-CG1 4.12Å; L839-V898 HydrophobicContact CD2-CG1 4.14Å; L839-V898 WeakPolarHBondContact O-CG1 3.31Å; L839-I902 HydrophobicContact CB-CD1 4.26Å; L839-I902 HydrophobicContact CB-CG1 3.99Å; L839-L905 HydrophobicContact CD1-CD1 3.92Å
840F89.1Confident87.5Confident6 Ų639.3 Ų39.33%0.02620%0.203CC..Hα-helixtrans-66.9-41.1171.9-73.8-57.2000112.9W626 A627 L630 I631 C836 A837 Y838 A843 L844 I902W626-F840 HydrophobicContact CZ3-CE1 4.09Å; A627-F840 HydrophobicContact CB-CD1 3.5Å; A627-F840 HydrophobicContact CB-CE1 3.62Å; A627-F840 HydrophobicContact CB-CG 4.24Å; A627-F840 HydrophobicContact CB-CZ 4.43Å; L630-F840 HydrophobicContact CB-CZ 3.81Å; L630-F840 HydrophobicContact CD1-CZ 4.29Å; I631-F840 HydrophobicContact CD1-CD2 3.71Å; I631-F840 HydrophobicContact CD1-CE2 4.05Å; I631-F840 HydrophobicContact CD1-CG 4.26Å; I631-F840 HydrophobicContact CG1-CD2 3.57Å; I631-F840 HydrophobicContact CG1-CE2 3.4Å; I631-F840 VanDerWaalsContact CG1-CE2 3.4Å; I631-F840 HydrophobicContact CG1-CG 4.49Å; I631-F840 HydrophobicContact CG1-CZ 4.22Å; C836-F840 WeakPolarHBondContact O-CD2 3.37Å; C836-F840 PolarHBondContact O-N 3.1Å; C836-F840 WeakPolarHBondContact SG-CE2 3.29Å; A837-F840 PolarHBondContact O-N 2.91Å; Y838-F840 VanDerWaalsContact C-N 3.32Å; Y838-F840 PolarHBondContact O-N 3.48Å; F840-A843 PolarHBondContact O-N 2.92Å; F840-L844 WeakPolarHBondContact O-CG 3.33Å; F840-L844 PolarHBondContact O-N 3.08Å; F840-I902 HydrophobicContact CD1-CD1 3.68Å; F840-I902 HydrophobicContact CD1-CG1 4.41Å; F840-I902 HydrophobicContact CE1-CD1 3.69Å; F840-I902 HydrophobicContact CE1-CG1 4.15Å; F840-I902 HydrophobicContact CE1-CG2 3.62Å; F840-I902 HydrophobicContact CE2-CG2 4.4Å; F840-I902 HydrophobicContact CG-CD1 4.38Å; F840-I902 HydrophobicContact CZ-CD1 4.38Å; F840-I902 HydrophobicContact CZ-CG1 4.36Å; F840-I902 HydrophobicContact CZ-CG2 3.47Å; F840-I902 VanDerWaalsContact CZ-CG2 3.47Å
841L89Confident87.2Confident110 Ų11035.2 Ų35.258%0.57618%0.182SC*.Hα-helixtrans-64-43.4176.1-169.2156.2000110.8A837 Y838 L844 S845A837-L841 PolarHBondContact O-N 3.34Å; A837-L841 VanDerWaalsContact O-N 3.08Å; Y838-L841 PolarHBondContact O-N 2.97Å; Y838-L841 VanDerWaalsContact O-N 3.15Å; L841-L844 PolarHBondContact O-N 3.39Å; L841-S845 WeakPolarHBondContact O-CB 3.42Å; L841-S845 PolarHBondContact O-N 3.44Å; L841-S845 PolarHBondContact O-OG 2.78Å
842V88.8Confident86.6Confident0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-56.6-49.8171.9166.20000111L809 Y810 Y838 L844 S845 K846 V898L809-V842 HydrophobicContact CD1-CG2 4.09Å; L809-V842 HydrophobicContact CD2-CB 4.38Å; L809-V842 HydrophobicContact CD2-CG1 3.75Å; L809-V842 HydrophobicContact CD2-CG2 3.93Å; L809-V842 HydrophobicContact CG-CG2 3.89Å; Y810-V842 HydrophobicContact CE1-CG1 4.24Å; Y838-V842 HydrophobicContact CD1-CG2 4.06Å; Y838-V842 HydrophobicContact CE1-CG2 3.8Å; Y838-V842 WeakPolarHBondContact O-CG2 3.47Å; Y838-V842 PolarHBondContact O-N 3.34Å; V842-L844 PolarHBondContact O-N 3.36Å; V842-S845 WeakPolarHBondContact CA-OG 3.26Å; V842-S845 PolarHBondContact O-N 2.94Å; V842-S845 PolarHBondContact O-OG 3.05Å; V842-K846 HydrophobicContact CG1-CD 4.48Å; V842-K846 WeakPolarHBondContact O-CB 3.5Å; V842-K846 PolarHBondContact O-N 3.47Å; V842-V898 HydrophobicContact CG1-CG2 4.45Å
843A87.1Confident86.1Confident0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-59.9-45.7179.200000112.8F623 L839 F840 K846 M847 L895 V898F623-A843 HydrophobicContact CE1-CB 3.77Å; F623-A843 HydrophobicContact CZ-CB 3.83Å; L839-A843 WeakPolarHBondContact O-CB 3.41Å; L839-A843 PolarHBondContact O-N 3.23Å; F840-A843 PolarHBondContact O-N 2.92Å; A843-K846 PolarHBondContact O-N 3.47Å; A843-M847 PolarHBondContact O-N 3.19Å; A843-L895 HydrophobicContact CB-CD2 3.98Å; A843-V898 HydrophobicContact CB-CG1 4.02Å
844L87.3Confident85.5Confident52 Ų5240.9 Ų40.927%0.27222%0.215SC..Hα-helixtrans-64.9-43177.1-73.2169.2000111.9F623 F840 L841 V842 K846 M847 I848F623-L844 HydrophobicContact CD1-CD2 3.94Å; F623-L844 HydrophobicContact CE1-CD2 4.41Å; F840-L844 WeakPolarHBondContact O-CG 3.33Å; F840-L844 PolarHBondContact O-N 3.08Å; L841-L844 PolarHBondContact O-N 3.39Å; V842-L844 PolarHBondContact O-N 3.36Å; L844-K846 VanDerWaalsContact C-N 3.3Å; L844-K846 PolarHBondContact O-N 3.45Å; L844-M847 PolarHBondContact O-N 3.32Å; L844-I848 WeakPolarHBondContact O-CB 3.08Å; L844-I848 WeakPolarHBondContact O-CD1 3.46Å; L844-I848 VanDerWaalsContact O-CG1 3.25Å; L844-I848 WeakPolarHBondContact O-CG1 3.35Å; L844-I848 PolarHBondContact O-N 3.37Å
845S87.5Confident84.6Confident37 Ų3739.7 Ų39.726%0.25922%0.218SC..Hα-helixtrans-61.1-39.8176.569.40000112.2L841 V842 I848 Y849L841-S845 WeakPolarHBondContact O-CB 3.42Å; L841-S845 PolarHBondContact O-N 3.44Å; L841-S845 PolarHBondContact O-OG 2.78Å; V842-S845 WeakPolarHBondContact CA-OG 3.26Å; V842-S845 PolarHBondContact O-N 2.94Å; V842-S845 PolarHBondContact O-OG 3.05Å; S845-I848 PolarHBondContact O-N 3.47Å; S845-Y849 WeakPolarHBondContact O-CB 3.29Å; S845-Y849 PolarHBondContact O-N 3.13Å; S845-Y849 VanDerWaalsContact O-N 3.1Å
846K87.3Confident83.5Confident14 Ų1442.8 Ų42.86%0.06123%0.232CC..Hα-helixtrans-64.5-43.6174.2-81.4-170.3163.6-169.30112.2Y810 V842 A843 L844 Q850 G881 L882 M894 L895Y810-K846 PolarHBondContact OH-NZ 2.87Å; V842-K846 HydrophobicContact CG1-CD 4.48Å; V842-K846 WeakPolarHBondContact O-CB 3.5Å; V842-K846 PolarHBondContact O-N 3.47Å; A843-K846 PolarHBondContact O-N 3.47Å; L844-K846 VanDerWaalsContact C-N 3.3Å; L844-K846 PolarHBondContact O-N 3.45Å; K846-Q850 WeakPolarHBondContact O-CG 3.4Å; K846-G881 WeakPolarHBondContact CE-O 3.2Å; K846-L882 HydrophobicContact CG-CD2 4.15Å; K846-M894 HydrophobicContact CB-CE 3.76Å; K846-M894 HydrophobicContact CB-SD 3.87Å; K846-M894 HydrophobicContact CD-CE 3.86Å; K846-M894 HydrophobicContact CD-CG 4.49Å; K846-M894 HydrophobicContact CD-SD 4.28Å; K846-M894 HydrophobicContact CG-CE 3.74Å; K846-M894 HydrophobicContact CG-SD 4.36Å; K846-L895 HydrophobicContact CB-CD2 4.14Å
847M84.7Confident82.4Confident3 Ų346.4 Ų46.42%0.01525%0.251CS..Hα-helixtrans-66.7-39.3176.2-70.4-171.58000113.4I620 F623 A843 L844 Y849 Q850 L895I620-M847 HydrophobicContact CG1-CB 4.47Å; I620-M847 HydrophobicContact CG1-CE 4.2Å; F623-M847 HydrophobicContact CB-CE 4.16Å; F623-M847 HydrophobicContact CB-SD 3.79Å; F623-M847 HydrophobicContact CD1-SD 3.53Å; F623-M847 VanDerWaalsContact CD1-SD 3.53Å; F623-M847 HydrophobicContact CD2-SD 3.94Å; F623-M847 HydrophobicContact CE1-SD 4.05Å; F623-M847 HydrophobicContact CE2-SD 4.41Å; F623-M847 HydrophobicContact CG-CE 4.37Å; F623-M847 HydrophobicContact CG-SD 3.46Å; F623-M847 WeakPolarHBondContact CG-SD 3.48Å; F623-M847 HydrophobicContact CZ-SD 4.46Å; A843-M847 PolarHBondContact O-N 3.19Å; L844-M847 PolarHBondContact O-N 3.32Å; M847-Y849 VanDerWaalsContact C-N 3.33Å; M847-Q850 PolarHBondContact O-N 3.13Å; M847-L895 HydrophobicContact CG-CD1 3.75Å; M847-L895 HydrophobicContact SD-CD1 3.95Å
848I86.8Confident81.1Confident87 Ų8746 Ų4645%0.44625%0.245SC..Hα-helixtrans-66.9-36.1179.8-69.3164.4000111L844 S845 Q850 L851L844-I848 WeakPolarHBondContact O-CB 3.08Å; L844-I848 WeakPolarHBondContact O-CD1 3.46Å; L844-I848 VanDerWaalsContact O-CG1 3.25Å; L844-I848 WeakPolarHBondContact O-CG1 3.35Å; L844-I848 PolarHBondContact O-N 3.37Å; S845-I848 PolarHBondContact O-N 3.47Å; I848-Q850 PolarHBondContact O-N 3.36Å; I848-L851 HydrophobicContact CG2-CD1 4.45Å; I848-L851 WeakPolarHBondContact O-CB 3.5Å; I848-L851 PolarHBondContact O-N 3.41Å
849Y85.4Confident79.7Confident26 Ų2650.2 Ų50.210%0.10227%0.267CS..Hα-helixtrans-66.9-20.3177.9-166.1-104.2000113.8S845 M847 L851 V854 L857 L882 K884S845-Y849 WeakPolarHBondContact O-CB 3.29Å; S845-Y849 PolarHBondContact O-N 3.13Å; S845-Y849 VanDerWaalsContact O-N 3.1Å; M847-Y849 VanDerWaalsContact C-N 3.33Å; Y849-L851 VanDerWaalsContact C-N 3.33Å; Y849-V854 HydrophobicContact CD2-CG1 3.96Å; Y849-V854 HydrophobicContact CE2-CG1 3.94Å; Y849-L857 HydrophobicContact CE2-CD1 4.03Å; Y849-L882 HydrophobicContact CD1-CB 4.17Å; Y849-L882 HydrophobicContact CE1-CB 4.26Å; Y849-L882 HydrophobicContact CG-CB 4.31Å; Y849-K884 HydrophobicContact CE1-CB 4.2Å
850Q83.6Confident78.2Confident30 Ų3055.4 Ų55.414%0.1429%0.294CS..THydrogen-bonded Turntrans-83.5-1.4176.4-59.5-64.2-5.400113.8P615 K846 M847 I848 K883 E885 M894P615-Q850 HydrophobicContact CB-CB 4.48Å; P615-Q850 HydrophobicContact CG-CB 3.62Å; K846-Q850 WeakPolarHBondContact O-CG 3.4Å; M847-Q850 PolarHBondContact O-N 3.13Å; I848-Q850 PolarHBondContact O-N 3.36Å; Q850-K883 PolarHBondContact NE2-O 3.31Å; Q850-E885 VanDerWaalsContact OE1-N 3.08Å; Q850-M894 HydrophobicContact CG-SD 4.22Å; Q850-M894 PolarHBondContact NE2-SD 3Å; Q850-M894 VanDerWaalsContact NE2-SD 3.38Å
851L79.3Confident76.6Confident15 Ų1562.6 Ų62.68%0.07933%0.333CS..SBendtrans-67.7138.7174.7-76.5164.2000111P615 F617 I620 I848 Y849 I853 V854 K884P615-L851 WeakPolarHBondContact O-CD2 3.39Å; F617-L851 HydrophobicContact CZ-CD1 4.44Å; I620-L851 HydrophobicContact CD1-CD1 4.04Å; I620-L851 HydrophobicContact CD1-CD2 4.1Å; I620-L851 HydrophobicContact CD1-CG 4.09Å; I848-L851 HydrophobicContact CG2-CD1 4.45Å; I848-L851 WeakPolarHBondContact O-CB 3.5Å; I848-L851 PolarHBondContact O-N 3.41Å; Y849-L851 VanDerWaalsContact C-N 3.33Å; L851-I853 PolarHBondContact O-N 3.45Å; L851-I853 VanDerWaalsContact O-N 3.16Å; L851-V854 HydrophobicContact CB-CG2 4.41Å; L851-V854 PolarHBondContact O-N 3.36Å; L851-K884 PolarHBondContact O-NZ 3.43Å
852D73.7Confident74.9Confident127 Ų12762.3 Ų62.368%0.67932%0.324SS*.THydrogen-bonded Turntrans-59.9-28.5179.5-62.7-29.1000113.5V854D852-V854 PolarHBondContact O-N 3.34Å
853I74.7Confident73.3Confident68 Ų6865 Ų6535%0.34935%0.351SS..THydrogen-bonded Turntrans-60.5-23.4175.3-59.6168.3000112.2F617 W684 A687 L851 P855F617-I853 HydrophobicContact CE2-CD1 4.37Å; W684-I853 HydrophobicContact CD2-CD1 3.98Å; W684-I853 HydrophobicContact CE3-CD1 3.82Å; W684-I853 HydrophobicContact CH2-CD1 3.98Å; W684-I853 HydrophobicContact CZ2-CD1 4.12Å; W684-I853 HydrophobicContact CZ3-CD1 3.82Å; A687-I853 HydrophobicContact CB-CD1 3.49Å; A687-I853 VanDerWaalsContact CB-CD1 3.49Å; A687-I853 HydrophobicContact CB-CG1 3.96Å; L851-I853 PolarHBondContact O-N 3.45Å; L851-I853 VanDerWaalsContact O-N 3.16Å; I853-P855 WeakPolarHBondContact O-CD 3.47Å
854V74.2Confident71.7Confident37 Ų3772.3 Ų72.322%0.22440%0.396CS..SBendtrans-88.3113.4178.3-174.60000109.3Y849 L851 D852 K884Y849-V854 HydrophobicContact CD2-CG1 3.96Å; Y849-V854 HydrophobicContact CE2-CG1 3.94Å; L851-V854 HydrophobicContact CB-CG2 4.41Å; L851-V854 PolarHBondContact O-N 3.36Å; D852-V854 PolarHBondContact O-N 3.34Å; V854-K884 PolarHBondContact O-NZ 3.13Å
855P69.5Low70.1Confident90 Ų9072.6 Ų72.658%0.58441%0.411SS*.  trans-65.7150.5177.928.4-34.9000110.9I853 L857I853-P855 WeakPolarHBondContact O-CD 3.47Å; P855-L857 PolarHBondContact O-N 2.78Å
856E65.7Low68.4Low75 Ų7572 Ų7235%0.3541%0.409SS..  trans-72.199178-136.3-157.7137.300109.6S858 Q859 K884E856-S858 WeakPolarHBondContact CG-OG 3.32Å; E856-S858 PolarHBondContact O-N 2.86Å; E856-S858 PolarHBondContact OE1-OG 2.99Å; E856-Q859 HydrophobicContact CB-CG 4.18Å; E856-Q859 PolarHBondContact O-N 2.83Å; E856-Q859 PolarHBondContact OE2-NE2 2.9Å; E856-K884 HydrophobicContact CG-CB 4.09Å; E856-K884 HydrophobicContact CG-CD 4.24Å
857L66.4Low66.9Low82 Ų8278.4 Ų78.443%0.42944%0.444SS..G310 helixtrans-62.7-14-178.2-78.4104.6000113.8Y849 P855 Q859 I860 P877Y849-L857 HydrophobicContact CE2-CD1 4.03Å; P855-L857 PolarHBondContact O-N 2.78Å; L857-Q859 VanDerWaalsContact C-N 3.29Å; L857-I860 HydrophobicContact CB-CD1 4.26Å; L857-I860 HydrophobicContact CD2-CD1 4.13Å; L857-I860 HydrophobicContact CG-CD1 3.97Å; L857-P877 HydrophobicContact CB-CG 3.82Å
858S61.3Low65.6Low45 Ų4585.8 Ų85.832%0.31548%0.483SS..G310 helixtrans-64.7-26.1169.148.10000113.8E856E856-S858 WeakPolarHBondContact CG-OG 3.32Å; E856-S858 PolarHBondContact O-N 2.86Å; E856-S858 PolarHBondContact OE1-OG 2.99Å
859Q61.1Low64.3Low150 Ų15083.6 Ų83.670%0.70148%0.475SS*.G310 helixtrans-94.50.7-177.9-61.4-172.318.400113.4E856 L857 D861E856-Q859 HydrophobicContact CB-CG 4.18Å; E856-Q859 PolarHBondContact O-N 2.83Å; E856-Q859 PolarHBondContact OE2-NE2 2.9Å; L857-Q859 VanDerWaalsContact C-N 3.29Å; Q859-D861 PolarHBondContact O-N 3.34Å
860I60.3Low63Low110 Ų11087.3 Ų87.356%0.56451%0.505SS*.SBendtrans-72.5118.1177.7-62.3175.3000108.4L857 R862L857-I860 HydrophobicContact CB-CD1 4.26Å; L857-I860 HydrophobicContact CD2-CD1 4.13Å; L857-I860 HydrophobicContact CG-CD1 3.97Å; I860-R862 PolarHBondContact O-N 3.4Å; I860-R862 VanDerWaalsContact O-N 3.11Å
861D55Low61.8Low157 Ų15789 Ų8984%0.8451%0.513SS*.  trans-55112.5-168.6-145.83.1000111.9Q859 G863Q859-D861 PolarHBondContact O-N 3.34Å; D861-G863 PolarHBondContact O-N 3.46Å
862R54.3Low60.8Low104 Ų10490.4 Ų90.439%0.39253%0.53SS..  trans-70.9110.8179.5-64.9179.8175.5129.6-6.1107.4I860 A866 N873 D1027I860-R862 PolarHBondContact O-N 3.4Å; I860-R862 VanDerWaalsContact O-N 3.11Å; R862-A866 HydrophobicContact CB-CB 3.65Å; R862-N873 PolarHBondContact NH2-O 3.35Å; R862-N873 VanDerWaalsContact NH2-O 3.17Å; R862-D1027 IonicContact CZ-OD1 3.46Å; R862-D1027 VanDerWaalsContact CZ-OD1 3.22Å; R862-D1027 IonicContact NE-OD1 2.71Å; R862-D1027 PolarHBondContact NE-OD1 3.48Å; R862-D1027 IonicContact NH2-OD1 3.24Å; R862-D1027 PolarHBondContact NH2-OD1 3.32Å
863G54.8Low60.1Low56 Ų5691.2 Ų91.258%0.57754%0.535SS*.  trans-53.8163.3-173.500000115D861 G865 A866D861-G863 PolarHBondContact O-N 3.46Å; G863-G865 PolarHBondContact O-N 3.27Å; G863-A866 PolarHBondContact O-N 3.31Å; G863-A866 VanDerWaalsContact O-N 3.09Å
864V52Low59.7Low153 Ų15391 Ų9193%0.92753%0.534SS*.THydrogen-bonded Turntrans-58.324.6-162.6-151.30000117.8
865G54Low59.4Low58 Ų5889.8 Ų89.860%0.59853%0.527SS*.THydrogen-bonded Turntrans-120.2-7.9166.300000114.3G863 D867G863-G865 PolarHBondContact O-N 3.27Å; G865-D867 PolarHBondContact O-N 3.43Å
866A52.9Low59.8Low25 Ų2591.2 Ų91.221%0.20753%0.527CS..G310 helixtrans-73.8-22.2-174.800000114.5R862 G863 N868 C869R862-A866 HydrophobicContact CB-CB 3.65Å; G863-A866 PolarHBondContact O-N 3.31Å; G863-A866 VanDerWaalsContact O-N 3.09Å; A866-N868 PolarHBondContact O-N 2.92Å; A866-C869 VanDerWaalsContact O-CB 3.28Å; A866-C869 WeakPolarHBondContact O-CB 3.33Å; A866-C869 PolarHBondContact O-N 2.99Å; A866-C869 PolarHBondContact O-SG 3.35Å
867D55.3Low60.4Low149 Ų14988.9 Ų88.980%0.79752%0.519SS*.G310 helixtrans-63.8-25-175.8-62.8-27.7000113.9G865 C869G865-D867 PolarHBondContact O-N 3.43Å; D867-C869 VanDerWaalsContact C-N 3.28Å; D867-C869 PolarHBondContact O-N 2.98Å
868N56.5Low60.8Low157 Ų15787.9 Ų87.984%0.8451%0.512SS*.G310 helixtrans-79.2-7.8174.5-83.1-11.5000113.3A866 S870A866-N868 PolarHBondContact O-N 2.92Å; N868-S870 PolarHBondContact O-N 2.82Å; N868-S870 VanDerWaalsContact O-N 3.14Å
869C60.8Low61.8Low41 Ų4188.8 Ų88.828%0.27751%0.508SS..  trans-86.782.8-177.3-49.40000110.5A866 D867 H871 C1029A866-C869 VanDerWaalsContact O-CB 3.28Å; A866-C869 WeakPolarHBondContact O-CB 3.33Å; A866-C869 PolarHBondContact O-N 2.99Å; A866-C869 PolarHBondContact O-SG 3.35Å; D867-C869 VanDerWaalsContact C-N 3.28Å; D867-C869 PolarHBondContact O-N 2.98Å; C869-H871 PolarHBondContact O-N 3.5Å; C869-C1029 HydrophobicContact CB-CB 4.07Å; C869-C1029 WeakPolarHBondContact CB-SG 3.11Å; C869-C1029 WeakPolarHBondContact SG-CB 3.36Å; C869-C1029 CovalentContact SG-SG 2.04Å; C869-C1029 PolarHBondContact SG-SG 3.45Å
870S57.8Low63Low105 Ų10586 Ų8673%0.73449%0.494SS*.  trans-66.414.5-179.258.20000115.6N868N868-S870 PolarHBondContact O-N 2.82Å; N868-S870 VanDerWaalsContact O-N 3.14Å
871H59.3Low63.9Low65 Ų6581 Ų8130%0.30147%0.47SS..SBendtrans-106.849.7-164.1-67.9-41.1000114.3C869 Y1058C869-H871 PolarHBondContact O-N 3.5Å; H871-Y1058 HydrophobicContact CB-CD2 4.12Å; H871-Y1058 HydrophobicContact CB-CG 3.99Å
872G57.1Low65.2Low44 Ų4475.1 Ų75.145%0.45444%0.438SS..  trans80.3149.5166.400000115.4I874G872-I874 VanDerWaalsContact C-N 3.29Å; G872-I874 PolarHBondContact O-N 3.34Å
873N60Low66.2Low144 Ų14475 Ų7577%0.7744%0.44SS*.  trans-80.91.9-171-74.9-8.5000115.4R862 S875R862-N873 PolarHBondContact NH2-O 3.35Å; R862-N873 VanDerWaalsContact NH2-O 3.17Å; N873-S875 PolarHBondContact O-N 3.17Å
874I65.3Low67.3Low65 Ų6574.5 Ų74.533%0.33342%0.422SS..  trans-61.6120.5-172.6-56.6174.1000110G872 E878 W879 P1026G872-I874 VanDerWaalsContact C-N 3.29Å; G872-I874 PolarHBondContact O-N 3.34Å; I874-E878 HydrophobicContact CG2-CB 3.97Å; I874-E878 HydrophobicContact CG2-CG 4.02Å; I874-W879 HydrophobicContact CG2-CB 4.4Å; I874-P1026 HydrophobicContact CB-CG 3.93Å; I874-P1026 HydrophobicContact CG2-CG 4.34Å; I874-P1026 WeakPolarHBondContact O-CG 3.44Å
875S68.7Low68.3Low11 Ų1171 Ų718%0.07740%0.396CS..  trans-82.4159.418064.10000112.5N873 E878 W879 D1027N873-S875 PolarHBondContact O-N 3.17Å; S875-E878 WeakPolarHBondContact O-CA 3.49Å; S875-E878 WeakPolarHBondContact O-CB 3.4Å; S875-E878 PolarHBondContact O-N 3.25Å; S875-W879 PolarHBondContact O-N 3.02Å; S875-D1027 WeakPolarHBondContact CA-OD2 3.25Å
876M76.4Confident68.9Low120 Ų12073.6 Ų73.659%0.59140%0.4SS*.Hα-helixtrans-55.8-40.7178-175.2-177.4-174.300113.6E878 F880 D1027M876-E878 VanDerWaalsContact C-N 3.33Å; M876-E878 PolarHBondContact O-N 3.38Å; M876-F880 WeakPolarHBondContact O-CB 3.31Å; M876-F880 PolarHBondContact O-N 3.47Å; M876-D1027 HydrophobicContact CB-CB 4.47Å; M876-D1027 WeakPolarHBondContact CB-OD2 3.36Å; M876-D1027 PolarHBondContact N-OD2 3.24Å
877P78.2Confident69.1Low26 Ų2681.8 Ų81.817%0.16943%0.434CS..Hα-helixtrans-60.3-39.7170-23.134.1000112.9L857 F880 G881 L882L857-P877 HydrophobicContact CB-CG 3.82Å; P877-F880 PolarHBondContact O-N 3.28Å; P877-G881 PolarHBondContact O-N 3.2Å; P877-L882 CarbonylContact C-O 3.46Å; P877-L882 VanDerWaalsContact C-O 3.25Å; P877-L882 HydrophobicContact CB-CB 4.49Å; P877-L882 VanDerWaalsContact CB-O 3.32Å; P877-L882 WeakPolarHBondContact CB-O 3.48Å; P877-L882 PolarHBondContact O-N 3.44Å
878E76.7Confident69.3Low61 Ų6178.5 Ų78.529%0.28544%0.435SS..Hα-helixtrans-69.6-42.8-179.4-169.6169.6-147.900112I874 S875 M876 F880 G881 K883I874-E878 HydrophobicContact CG2-CB 3.97Å; I874-E878 HydrophobicContact CG2-CG 4.02Å; S875-E878 WeakPolarHBondContact O-CA 3.49Å; S875-E878 WeakPolarHBondContact O-CB 3.4Å; S875-E878 PolarHBondContact O-N 3.25Å; M876-E878 VanDerWaalsContact C-N 3.33Å; M876-E878 PolarHBondContact O-N 3.38Å; E878-F880 VanDerWaalsContact C-N 3.28Å; E878-F880 PolarHBondContact O-N 3.33Å; E878-G881 WeakPolarHBondContact O-CA 3.46Å; E878-G881 PolarHBondContact O-N 3.15Å; E878-K883 WeakPolarHBondContact OE1-CE 3.45Å; E878-K883 IonicContact OE1-NZ 3.78Å; E878-K883 PolarHBondContact OE1-NZ 2.82Å
879W81.6Confident69.6Low64 Ų6474.6 Ų74.624%0.24242%0.417CS..Hα-helixtrans-58.3-39.5170.6175.884.1000112.2A808 I874 S875 V1022 P1025A808-W879 HydrophobicContact CB-CD2 4.38Å; A808-W879 HydrophobicContact CB-CE3 4.14Å; A808-W879 HydrophobicContact CB-CH2 3.81Å; A808-W879 HydrophobicContact CB-CZ2 4.05Å; A808-W879 HydrophobicContact CB-CZ3 3.86Å; A808-W879 PolarHBondContact N-O 2.82Å; I874-W879 HydrophobicContact CG2-CB 4.4Å; S875-W879 PolarHBondContact O-N 3.02Å; W879-V1022 HydrophobicContact CZ2-CG1 3.99Å; W879-V1022 PolarHBondContact NE1-O 3.45Å; W879-V1022 VanDerWaalsContact NE1-O 3.09Å; W879-P1025 HydrophobicContact CD2-CB 3.95Å; W879-P1025 HydrophobicContact CE3-CB 4.2Å; W879-P1025 HydrophobicContact CG-CB 4.23Å
880F85Confident70.1Confident92 Ų9276.7 Ų76.740%0.40442%0.423SS..Hα-helixtrans-67.3-38.2174-165.7-107.4000111.7A808 L809 M876 P877 E878 L882A808-F880 HydrophobicContact CB-CD2 4.35Å; L809-F880 WeakPolarHBondContact CB-O 3.48Å; L809-F880 HydrophobicContact CD1-CE1 3.85Å; L809-F880 HydrophobicContact CD1-CZ 4.05Å; L809-F880 PolarHBondContact N-O 2.89Å; L809-F880 VanDerWaalsContact N-O 3.08Å; M876-F880 WeakPolarHBondContact O-CB 3.31Å; M876-F880 PolarHBondContact O-N 3.47Å; P877-F880 PolarHBondContact O-N 3.28Å; E878-F880 VanDerWaalsContact C-N 3.28Å; E878-F880 PolarHBondContact O-N 3.33Å; F880-L882 HydrophobicContact CD1-CD1 4Å; F880-L882 HydrophobicContact CD1-CG 4.14Å; F880-L882 HydrophobicContact CE1-CD1 4.39Å
881G80.2Confident70.9Confident5 Ų572.6 Ų72.65%0.05239%0.394CS..THydrogen-bonded Turntrans116.620177.300000115.2N807 K846 P877 E878N807-G881 VanDerWaalsContact ND2-CA 3.28Å; N807-G881 WeakPolarHBondContact ND2-CA 3.37Å; K846-G881 WeakPolarHBondContact CE-O 3.2Å; P877-G881 PolarHBondContact O-N 3.2Å; E878-G881 WeakPolarHBondContact O-CA 3.46Å; E878-G881 PolarHBondContact O-N 3.15Å
882L81.6Confident71.8Confident33 Ų3372 Ų7217%0.17339%0.392CS..  trans-108.6105.4174.4-64.4174.6000109.3K846 Y849 P877 F880K846-L882 HydrophobicContact CG-CD2 4.15Å; Y849-L882 HydrophobicContact CD1-CB 4.17Å; Y849-L882 HydrophobicContact CE1-CB 4.26Å; Y849-L882 HydrophobicContact CG-CB 4.31Å; P877-L882 CarbonylContact C-O 3.46Å; P877-L882 VanDerWaalsContact C-O 3.25Å; P877-L882 HydrophobicContact CB-CB 4.49Å; P877-L882 VanDerWaalsContact CB-O 3.32Å; P877-L882 WeakPolarHBondContact CB-O 3.48Å; P877-L882 PolarHBondContact O-N 3.44Å; F880-L882 HydrophobicContact CD1-CD1 4Å; F880-L882 HydrophobicContact CD1-CG 4.14Å; F880-L882 HydrophobicContact CE1-CD1 4.39Å
883K77Confident72.9Confident100 Ų10078.3 Ų78.344%0.43540%0.403SS..  trans-121.3134.6178.4-176.4168.5-172.2153.10108.9Q850 E878 M894Q850-K883 PolarHBondContact NE2-O 3.31Å; E878-K883 WeakPolarHBondContact OE1-CE 3.45Å; E878-K883 IonicContact OE1-NZ 3.78Å; E878-K883 PolarHBondContact OE1-NZ 2.82Å; K883-M894 WeakPolarHBondContact O-CE 3.29Å
884K77Confident73.9Confident46 Ų4673 Ų7320%0.238%0.375CS..PPolyproline II helixtrans-80.5124.2169.2-152.5169.6-169.4174.30106Y849 L851 V854 E856Y849-K884 HydrophobicContact CE1-CB 4.2Å; L851-K884 PolarHBondContact O-NZ 3.43Å; V854-K884 PolarHBondContact O-NZ 3.13Å; E856-K884 HydrophobicContact CG-CB 4.09Å; E856-K884 HydrophobicContact CG-CD 4.24Å
885E72Confident74.8Confident79 Ų7970 Ų7037%0.36936%0.359SS..PPolyproline II helixtrans-85.6156.8-176.3-65.5-71.1177.300110.1Q850 T889Q850-E885 VanDerWaalsContact OE1-N 3.08Å; E885-T889 WeakPolarHBondContact CB-OG1 3.38Å
886V66.4Low75.6Confident114 Ų11475.9 Ų75.969%0.69138%0.383SS*.PPolyproline II helixtrans-63.1141.3-177.4-176.80000110.6G888 T889V886-G888 PolarHBondContact O-N 2.87Å; V886-G888 VanDerWaalsContact O-N 3.09Å; V886-T889 PolarHBondContact O-N 3.24Å; V886-T889 PolarHBondContact O-OG1 2.89Å
887E58.2Low75.9Confident197 Ų19771.2 Ų71.292%0.92137%0.367SS*.THydrogen-bonded Turntrans-45.8117.7176.4-68.4-174.9160.200111.3
888G58.7Low76.3Confident80 Ų8070.1 Ų70.183%0.82536%0.359SS*.THydrogen-bonded Turntrans111.1-11178.100000116.5V886V886-G888 PolarHBondContact O-N 2.87Å; V886-G888 VanDerWaalsContact O-N 3.09Å
889T64.4Low76.8Confident75 Ų7567.7 Ų67.746%0.4635%0.348SS..  trans-78.8125.4173.462.30000112.1E885 V886E885-T889 WeakPolarHBondContact CB-OG1 3.38Å; V886-T889 PolarHBondContact O-N 3.24Å; V886-T889 PolarHBondContact O-OG1 2.89Å
890E69.4Low77.1Confident85 Ų8567.3 Ų67.340%0.39735%0.353SS..  trans-65.9136.1177.7-68-179.6-156.400112.4I892 Y893E890-I892 HydrophobicContact CB-CG2 3.85Å; E890-I892 PolarHBondContact O-N 2.55Å; E890-Y893 HydrophobicContact CB-CD2 4.09Å; E890-Y893 HydrophobicContact CB-CE2 4.17Å; E890-Y893 PolarHBondContact O-N 2.93Å; E890-Y893 VanDerWaalsContact O-N 3.12Å
891P74.7Confident77.2Confident18 Ų1863 Ų6312%0.11733%0.334CS..Hα-helixtrans-51.9-22.8177.2-30.334.8000115.8T611 Y893 M894 L895T611-P891 WeakPolarHBondContact O-CD 3.32Å; P891-Y893 VanDerWaalsContact C-N 3.28Å; P891-Y893 PolarHBondContact O-N 3.25Å; P891-M894 PolarHBondContact O-N 3.47Å; P891-L895 WeakPolarHBondContact O-CG 3.18Å; P891-L895 PolarHBondContact O-N 3.26Å
892I79.1Confident77.6Confident52 Ų5262.8 Ų62.827%0.26733%0.331SS..Hα-helixtrans-58.5-35.5177.8-162.4168.6000113.1E890 F896E890-I892 HydrophobicContact CB-CG2 3.85Å; E890-I892 PolarHBondContact O-N 2.55Å; I892-F896 WeakPolarHBondContact O-CA 3.45Å; I892-F896 WeakPolarHBondContact O-CB 3.43Å; I892-F896 PolarHBondContact O-N 2.98Å
893Y80.8Confident77.8Confident177 Ų17765.3 Ų65.369%0.69434%0.344SS*.Hα-helixtrans-71.2-45.8-179.6-65.9-75.7000111.4E890 P891 L895 F896E890-Y893 HydrophobicContact CB-CD2 4.09Å; E890-Y893 HydrophobicContact CB-CE2 4.17Å; E890-Y893 PolarHBondContact O-N 2.93Å; E890-Y893 VanDerWaalsContact O-N 3.12Å; P891-Y893 VanDerWaalsContact C-N 3.28Å; P891-Y893 PolarHBondContact O-N 3.25Å; Y893-L895 PolarHBondContact O-N 2.92Å; Y893-F896 PolarHBondContact O-N 2.9Å
894M79.5Confident78.3Confident34 Ų3461.1 Ų61.117%0.16733%0.329CS..Hα-helixtrans-60.3-33.7177.3-165.5-152.6-166.500112.7K846 Q850 K883 P891K846-M894 HydrophobicContact CB-CE 3.76Å; K846-M894 HydrophobicContact CB-SD 3.87Å; K846-M894 HydrophobicContact CD-CE 3.86Å; K846-M894 HydrophobicContact CD-CG 4.49Å; K846-M894 HydrophobicContact CD-SD 4.28Å; K846-M894 HydrophobicContact CG-CE 3.74Å; K846-M894 HydrophobicContact CG-SD 4.36Å; Q850-M894 HydrophobicContact CG-SD 4.22Å; Q850-M894 PolarHBondContact NE2-SD 3Å; Q850-M894 VanDerWaalsContact NE2-SD 3.38Å; K883-M894 WeakPolarHBondContact O-CE 3.29Å; P891-M894 PolarHBondContact O-N 3.47Å
895L84Confident78.8Confident1 Ų159 Ų591%0.00532%0.32CS..Hα-helixtrans-98.3-6.9-176.2-64.7175.6000114.4F623 A843 K846 M847 P891 Y893 G897 V898 I899F623-L895 HydrophobicContact CE2-CD1 4.26Å; F623-L895 HydrophobicContact CZ-CD1 4.31Å; A843-L895 HydrophobicContact CB-CD2 3.98Å; K846-L895 HydrophobicContact CB-CD2 4.14Å; M847-L895 HydrophobicContact CG-CD1 3.75Å; M847-L895 HydrophobicContact SD-CD1 3.95Å; P891-L895 WeakPolarHBondContact O-CG 3.18Å; P891-L895 PolarHBondContact O-N 3.26Å; Y893-L895 PolarHBondContact O-N 2.92Å; L895-G897 PolarHBondContact O-N 3.25Å; L895-V898 WeakPolarHBondContact O-CA 3.48Å; L895-V898 WeakPolarHBondContact O-CB 3.26Å; L895-V898 PolarHBondContact O-N 2.69Å; L895-I899 HydrophobicContact CB-CD1 3.67Å; L895-I899 HydrophobicContact CB-CG1 4.13Å; L895-I899 WeakPolarHBondContact O-CG1 3.44Å; L895-I899 PolarHBondContact O-N 2.85Å
896F85.8Confident79.4Confident134 Ų13455.7 Ų55.759%0.58831%0.306SS*.Hα-helixtrans-52.6-53.3-167.9-177.2-103.2000113.8I892 Y893 V898 I899 V900I892-F896 WeakPolarHBondContact O-CA 3.45Å; I892-F896 WeakPolarHBondContact O-CB 3.43Å; I892-F896 PolarHBondContact O-N 2.98Å; Y893-F896 PolarHBondContact O-N 2.9Å; F896-V898 VanDerWaalsContact C-N 3.28Å; F896-V898 PolarHBondContact O-N 3.18Å; F896-I899 PolarHBondContact O-N 2.97Å; F896-V900 HydrophobicContact CD1-CG2 4.35Å; F896-V900 HydrophobicContact CD2-CG2 4.49Å; F896-V900 HydrophobicContact CE1-CG2 3.99Å; F896-V900 HydrophobicContact CE2-CG2 4.14Å; F896-V900 HydrophobicContact CZ-CG2 3.88Å; F896-V900 WeakPolarHBondContact O-CG2 3.4Å; F896-V900 PolarHBondContact O-N 2.9Å
897G83.3Confident80.4Confident23 Ų2353.7 Ų53.724%0.23729%0.287CS..Hα-helixtrans-64-30.818000000113.9L895 S901L895-G897 PolarHBondContact O-N 3.25Å; G897-S901 WeakPolarHBondContact O-CB 3.3Å; G897-S901 PolarHBondContact O-N 3.15Å; G897-S901 VanDerWaalsContact O-N 3.1Å; G897-S901 PolarHBondContact O-OG 3.49Å
898V87.3Confident81.8Confident2 Ų244.4 Ų44.41%0.01224%0.244CC..Hα-helixtrans-72.3-46.4175.8-177.50000110.1F801 L839 V842 A843 L895 F896 V900 S901 I902F801-V898 HydrophobicContact CE1-CG2 4.46Å; F801-V898 HydrophobicContact CE2-CG2 4.08Å; F801-V898 HydrophobicContact CZ-CG2 3.6Å; L839-V898 HydrophobicContact CB-CG1 4.12Å; L839-V898 HydrophobicContact CD2-CG1 4.14Å; L839-V898 WeakPolarHBondContact O-CG1 3.31Å; V842-V898 HydrophobicContact CG1-CG2 4.45Å; A843-V898 HydrophobicContact CB-CG1 4.02Å; L895-V898 WeakPolarHBondContact O-CA 3.48Å; L895-V898 WeakPolarHBondContact O-CB 3.26Å; L895-V898 PolarHBondContact O-N 2.69Å; F896-V898 VanDerWaalsContact C-N 3.28Å; F896-V898 PolarHBondContact O-N 3.18Å; V898-V900 PolarHBondContact O-N 3.25Å; V898-S901 PolarHBondContact O-N 2.85Å; V898-I902 HydrophobicContact CG1-CD1 3.82Å; V898-I902 WeakPolarHBondContact O-CB 3.31Å; V898-I902 WeakPolarHBondContact O-CD1 3.44Å; V898-I902 VanDerWaalsContact O-CG1 3.29Å; V898-I902 WeakPolarHBondContact O-CG1 3.44Å; V898-I902 PolarHBondContact O-N 2.91Å
899I86.8Confident83Confident11 Ų1141.1 Ų41.16%0.05621%0.208CC..Hα-helixtrans-60.2-45.7176.2-68.8165.4000110.8L607 W626 L895 F896 S901 I902 I903L607-I899 HydrophobicContact CD1-CD1 4.26Å; L607-I899 HydrophobicContact CD2-CG2 4.08Å; W626-I899 HydrophobicContact CH2-CG2 4.29Å; L895-I899 HydrophobicContact CB-CD1 3.67Å; L895-I899 HydrophobicContact CB-CG1 4.13Å; L895-I899 WeakPolarHBondContact O-CG1 3.44Å; L895-I899 PolarHBondContact O-N 2.85Å; F896-I899 PolarHBondContact O-N 2.97Å; I899-S901 PolarHBondContact O-N 3.31Å; I899-I902 PolarHBondContact O-N 3.34Å; I899-I903 HydrophobicContact CG2-CD1 3.74Å; I899-I903 HydrophobicContact CG2-CG1 4.45Å; I899-I903 VanDerWaalsContact O-CG1 3.3Å; I899-I903 WeakPolarHBondContact O-CG1 3.45Å; I899-I903 PolarHBondContact O-N 3.39Å
900V87.3Confident84Confident56 Ų5640 Ų4034%0.33920%0.199SC..Hα-helixtrans-61.1-43.7176.8170.50000111.3I797 F896 V898 I903 A904I797-V900 HydrophobicContact CG2-CG1 4.15Å; F896-V900 HydrophobicContact CD1-CG2 4.35Å; F896-V900 HydrophobicContact CD2-CG2 4.49Å; F896-V900 HydrophobicContact CE1-CG2 3.99Å; F896-V900 HydrophobicContact CE2-CG2 4.14Å; F896-V900 HydrophobicContact CZ-CG2 3.88Å; F896-V900 WeakPolarHBondContact O-CG2 3.4Å; F896-V900 PolarHBondContact O-N 2.9Å; V898-V900 PolarHBondContact O-N 3.25Å; V900-I903 PolarHBondContact O-N 3.45Å; V900-A904 WeakPolarHBondContact O-CB 3.35Å; V900-A904 PolarHBondContact O-N 3.48Å
901S88Confident84.7Confident1 Ų136 Ų361%0.00718%0.18CC..Hα-helixtrans-63.4-41.6177-61.70000112.2G897 V898 I899 A904 L905G897-S901 WeakPolarHBondContact O-CB 3.3Å; G897-S901 PolarHBondContact O-N 3.15Å; G897-S901 VanDerWaalsContact O-N 3.1Å; G897-S901 PolarHBondContact O-OG 3.49Å; V898-S901 PolarHBondContact O-N 2.85Å; I899-S901 PolarHBondContact O-N 3.31Å; S901-A904 PolarHBondContact O-N 2.81Å; S901-L905 WeakPolarHBondContact O-CB 3.38Å; S901-L905 WeakPolarHBondContact O-CG 3.47Å; S901-L905 PolarHBondContact O-N 3.32Å
902I87.5Confident85Confident0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-62.4-44.8174.2-72.4161.6000111.3W626 L630 L839 F840 V898 I899 L905 A906W626-I902 HydrophobicContact CH2-CG2 4.05Å; W626-I902 HydrophobicContact CZ3-CG2 4.43Å; L630-I902 HydrophobicContact CD1-CG2 3.7Å; L839-I902 HydrophobicContact CB-CD1 4.26Å; L839-I902 HydrophobicContact CB-CG1 3.99Å; F840-I902 HydrophobicContact CD1-CD1 3.68Å; F840-I902 HydrophobicContact CD1-CG1 4.41Å; F840-I902 HydrophobicContact CE1-CD1 3.69Å; F840-I902 HydrophobicContact CE1-CG1 4.15Å; F840-I902 HydrophobicContact CE1-CG2 3.62Å; F840-I902 HydrophobicContact CE2-CG2 4.4Å; F840-I902 HydrophobicContact CG-CD1 4.38Å; F840-I902 HydrophobicContact CZ-CD1 4.38Å; F840-I902 HydrophobicContact CZ-CG1 4.36Å; F840-I902 HydrophobicContact CZ-CG2 3.47Å; F840-I902 VanDerWaalsContact CZ-CG2 3.47Å; V898-I902 HydrophobicContact CG1-CD1 3.82Å; V898-I902 WeakPolarHBondContact O-CB 3.31Å; V898-I902 WeakPolarHBondContact O-CD1 3.44Å; V898-I902 VanDerWaalsContact O-CG1 3.29Å; V898-I902 WeakPolarHBondContact O-CG1 3.44Å; V898-I902 PolarHBondContact O-N 2.91Å; I899-I902 PolarHBondContact O-N 3.34Å; I902-L905 PolarHBondContact O-N 3.43Å; I902-A906 WeakPolarHBondContact O-CB 3.37Å; I902-A906 PolarHBondContact O-N 3.01Å
903I86.8Confident85.1Confident86 Ų8638.2 Ų38.244%0.44119%0.186SC..Hα-helixtrans-65.5-41.5178-69.4168.7000110.9I899 V900 A906 F907I899-I903 HydrophobicContact CG2-CD1 3.74Å; I899-I903 HydrophobicContact CG2-CG1 4.45Å; I899-I903 VanDerWaalsContact O-CG1 3.3Å; I899-I903 WeakPolarHBondContact O-CG1 3.45Å; I899-I903 PolarHBondContact O-N 3.39Å; V900-I903 PolarHBondContact O-N 3.45Å; I903-A906 PolarHBondContact O-N 2.04Å; I903-F907 WeakPolarHBondContact O-CB 3.49Å; I903-F907 PolarHBondContact O-N 3.49Å
904A87.7Confident85.2Confident13 Ų1333.3 Ų33.311%0.10717%0.166CC..Hα-helixtrans-62-44.3176.400000111.6V794 I797 V900 S901 F907 Q908V794-A904 HydrophobicContact CG2-CB 4.27Å; I797-A904 HydrophobicContact CD1-CB 3.79Å; I797-A904 HydrophobicContact CG2-CB 4.34Å; V900-A904 WeakPolarHBondContact O-CB 3.35Å; V900-A904 PolarHBondContact O-N 3.48Å; S901-A904 PolarHBondContact O-N 2.81Å; A904-F907 PolarHBondContact O-N 3.27Å; A904-Q908 PolarHBondContact O-N 3.11Å
905L88.1Confident85.3Confident2 Ų231.8 Ų31.81%0.0116%0.159CC..Hα-helixtrans-60.7-47.7172.3-75.1164.2000111.2K634 V794 I798 M835 C836 L839 S901 I902 F907 Q908 S909K634-L905 WeakPolarHBondContact CE-O 3.31Å; K634-L905 PolarHBondContact NZ-O 2.96Å; V794-L905 HydrophobicContact CG1-CD2 3.77Å; V794-L905 HydrophobicContact CG1-CG 4.19Å; I798-L905 HydrophobicContact CD1-CD2 4.47Å; M835-L905 HydrophobicContact CB-CD1 4.31Å; C836-L905 HydrophobicContact CB-CD1 4.01Å; L839-L905 HydrophobicContact CD1-CD1 3.92Å; S901-L905 WeakPolarHBondContact O-CB 3.38Å; S901-L905 WeakPolarHBondContact O-CG 3.47Å; S901-L905 PolarHBondContact O-N 3.32Å; I902-L905 PolarHBondContact O-N 3.43Å; L905-F907 VanDerWaalsContact C-N 3.31Å; L905-F907 PolarHBondContact O-N 3.23Å; L905-Q908 WeakPolarHBondContact O-CB 3.29Å; L905-Q908 PolarHBondContact O-N 2.84Å; L905-S909 PolarHBondContact O-N 2.76Å; L905-S909 PolarHBondContact O-OG 2.76Å
906A84.3Confident85.2Confident9 Ų939 Ų397%0.07419%0.186CC..Hα-helixtrans-59.1-40.7176.900000112.1L630 I902 I903 S909 I910L630-A906 HydrophobicContact CD2-CB 4.43Å; I902-A906 WeakPolarHBondContact O-CB 3.37Å; I902-A906 PolarHBondContact O-N 3.01Å; I903-A906 PolarHBondContact O-N 2.04Å; A906-S909 PolarHBondContact O-N 2.76Å; A906-S909 PolarHBondContact O-OG 3.02Å; A906-I910 WeakPolarHBondContact O-CG1 3.47Å; A906-I910 PolarHBondContact O-N 3.15Å; A906-I910 VanDerWaalsContact O-N 3.11Å
907F86.5Confident84.8Confident71 Ų7137.4 Ų37.431%0.31118%0.18SC..Hα-helixtrans-65.9-38.8177.1-171.2-111.2000112.7W783 F786 I790 I903 A904 L905 S909 I910 V911W783-F907 HydrophobicContact CH2-CE2 4.31Å; W783-F907 HydrophobicContact CH2-CZ 4.48Å; W783-F907 HydrophobicContact CZ3-CE2 4.37Å; W783-F907 HydrophobicContact CZ3-CZ 4.26Å; F786-F907 HydrophobicContact CD1-CE1 4.42Å; F786-F907 HydrophobicContact CD2-CE1 4.41Å; F786-F907 HydrophobicContact CD2-CZ 4.41Å; F786-F907 HydrophobicContact CE1-CE1 4.4Å; F786-F907 HydrophobicContact CE2-CE1 4.35Å; F786-F907 HydrophobicContact CE2-CZ 4.28Å; F786-F907 HydrophobicContact CG-CE1 4.45Å; F786-F907 HydrophobicContact CZ-CE1 4.36Å; I790-F907 HydrophobicContact CD1-CD1 3.86Å; I790-F907 HydrophobicContact CD1-CE1 4.26Å; I903-F907 WeakPolarHBondContact O-CB 3.49Å; I903-F907 PolarHBondContact O-N 3.49Å; A904-F907 PolarHBondContact O-N 3.27Å; L905-F907 VanDerWaalsContact C-N 3.31Å; L905-F907 PolarHBondContact O-N 3.23Å; F907-S909 VanDerWaalsContact C-N 3.3Å; F907-S909 PolarHBondContact O-N 3.08Å; F907-I910 PolarHBondContact O-N 3.36Å; F907-V911 HydrophobicContact CD1-CG2 3.96Å; F907-V911 HydrophobicContact CE1-CG2 3.62Å; F907-V911 HydrophobicContact CE2-CG2 4.33Å; F907-V911 HydrophobicContact CG-CG2 4.45Å; F907-V911 HydrophobicContact CZ-CG2 3.82Å; F907-V911 WeakPolarHBondContact O-CG2 2.95Å; F907-V911 PolarHBondContact O-N 2.84Å
908Q88.3Confident84.6Confident3 Ų339.8 Ų39.81%0.01418%0.183CC..Hα-helixtrans-52.9-46.7171.5-173.6-169.8700111.8I790 V794 D828 A904 L905 I912I790-Q908 HydrophobicContact CG1-CB 4Å; I790-Q908 HydrophobicContact CG1-CG 4.16Å; I790-Q908 HydrophobicContact CG2-CG 4.24Å; V794-Q908 HydrophobicContact CG2-CB 4.15Å; D828-Q908 PolarHBondContact OD1-NE2 2.62Å; A904-Q908 PolarHBondContact O-N 3.11Å; L905-Q908 WeakPolarHBondContact O-CB 3.29Å; L905-Q908 PolarHBondContact O-N 2.84Å; Q908-I912 HydrophobicContact CG-CD1 4.04Å; Q908-I912 VanDerWaalsContact O-CG1 3.3Å; Q908-I912 WeakPolarHBondContact O-CG1 3.48Å; Q908-I912 PolarHBondContact O-N 3.22Å; Q908-I912 VanDerWaalsContact O-N 3.13Å
909S83.3Confident84.2Confident10 Ų1041.3 Ų41.37%0.0719%0.188CC..Hα-helixtrans-64.2-40.3174.827.10000112.7K634 L905 A906 F907 I912 Y913K634-S909 VanDerWaalsContact CE-OG 3.23Å; K634-S909 WeakPolarHBondContact CE-OG 3.44Å; L905-S909 PolarHBondContact O-N 2.76Å; L905-S909 PolarHBondContact O-OG 2.76Å; A906-S909 PolarHBondContact O-N 2.76Å; A906-S909 PolarHBondContact O-OG 3.02Å; F907-S909 VanDerWaalsContact C-N 3.3Å; F907-S909 PolarHBondContact O-N 3.08Å; S909-I912 PolarHBondContact O-N 3.44Å; S909-Y913 WeakPolarHBondContact O-CB 3.37Å; S909-Y913 WeakPolarHBondContact O-CD2 3.32Å; S909-Y913 VanDerWaalsContact O-CG 3.31Å; S909-Y913 PolarHBondContact O-N 2.96Å
910I84.6Confident83.7Confident52 Ų5244.8 Ų44.827%0.26722%0.218SC..Hα-helixtrans-63.5-44.6178.3-66.7166000111.3L633 A906 F907 R914L633-I910 HydrophobicContact CD2-CD1 4.3Å; L633-I910 HydrophobicContact CD2-CG1 4.38Å; A906-I910 WeakPolarHBondContact O-CG1 3.47Å; A906-I910 PolarHBondContact O-N 3.15Å; A906-I910 VanDerWaalsContact O-N 3.11Å; F907-I910 PolarHBondContact O-N 3.36Å; I910-R914 VanDerWaalsContact O-CB 3.3Å; I910-R914 WeakPolarHBondContact O-CB 3.43Å; I910-R914 PolarHBondContact O-N 3.31Å
911V85.7Confident82.9Confident0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-57.7-51.5176172.70000110.5W783 F786 I790 F907 R914 Q915W783-V911 HydrophobicContact CE3-CB 4.5Å; W783-V911 HydrophobicContact CE3-CG1 4.44Å; W783-V911 HydrophobicContact CE3-CG2 4.09Å; W783-V911 HydrophobicContact CZ3-CB 4.34Å; W783-V911 HydrophobicContact CZ3-CG2 3.73Å; F786-V911 HydrophobicContact CB-CG1 4.04Å; F786-V911 HydrophobicContact CB-CG2 4.24Å; I790-V911 HydrophobicContact CG1-CG2 4.48Å; I790-V911 HydrophobicContact CG2-CG1 4.33Å; F907-V911 HydrophobicContact CD1-CG2 3.96Å; F907-V911 HydrophobicContact CE1-CG2 3.62Å; F907-V911 HydrophobicContact CE2-CG2 4.33Å; F907-V911 HydrophobicContact CG-CG2 4.45Å; F907-V911 HydrophobicContact CZ-CG2 3.82Å; F907-V911 WeakPolarHBondContact O-CG2 2.95Å; F907-V911 PolarHBondContact O-N 2.84Å; V911-R914 PolarHBondContact O-N 3.2Å; V911-Q915 PolarHBondContact O-N 2.85Å
912I81.3Confident82.3Confident39 Ų3950.2 Ų50.220%0.225%0.251CS..Hα-helixtrans-65.2-44.4-177.6-66.6169.3000111D828 Q908 S909 Q915 R916D828-I912 HydrophobicContact CB-CD1 4.47Å; Q908-I912 HydrophobicContact CG-CD1 4.04Å; Q908-I912 VanDerWaalsContact O-CG1 3.3Å; Q908-I912 WeakPolarHBondContact O-CG1 3.48Å; Q908-I912 PolarHBondContact O-N 3.22Å; Q908-I912 VanDerWaalsContact O-N 3.13Å; S909-I912 PolarHBondContact O-N 3.44Å; I912-Q915 PolarHBondContact O-N 2.82Å; I912-R916 VanDerWaalsContact O-CB 3.31Å; I912-R916 WeakPolarHBondContact O-CB 3.34Å; I912-R916 PolarHBondContact O-N 2.63Å
913Y80.4Confident81.7Confident79 Ų7953.6 Ų53.631%0.3129%0.285SS..Hα-helixtrans-66.1-41177.4-70.8-45.8000112.4F637 S909 H917F637-Y913 HydrophobicContact CB-CD2 4.46Å; F637-Y913 HydrophobicContact CB-CE2 4.36Å; S909-Y913 WeakPolarHBondContact O-CB 3.37Å; S909-Y913 WeakPolarHBondContact O-CD2 3.32Å; S909-Y913 VanDerWaalsContact O-CG 3.31Å; S909-Y913 PolarHBondContact O-N 2.96Å; Y913-H917 WeakPolarHBondContact O-CB 3.45Å; Y913-H917 PolarHBondContact O-N 2.92Å
914R82.8Confident81.2Confident73 Ų7352.7 Ų52.728%0.27528%0.281SS..Hα-helixtrans-60.2-49.9174.7-177.6-166.9173.9-84.42.3110.7E780 W783 I910 V911 H917 Y918E780-R914 IonicContact OE1-NH1 3.1Å; E780-R914 IonicContact OE2-CZ 3.48Å; E780-R914 IonicContact OE2-NH1 3.44Å; E780-R914 PolarHBondContact OE2-NH1 3.49Å; E780-R914 IonicContact OE2-NH2 2.72Å; E780-R914 PolarHBondContact OE2-NH2 3.12Å; W783-R914 VanDerWaalsContact CE2-CD 3.47Å; W783-R914 VanDerWaalsContact CG-NH1 3.28Å; I910-R914 VanDerWaalsContact O-CB 3.3Å; I910-R914 WeakPolarHBondContact O-CB 3.43Å; I910-R914 PolarHBondContact O-N 3.31Å; V911-R914 PolarHBondContact O-N 3.2Å; R914-H917 PolarHBondContact O-N 3.42Å; R914-Y918 WeakPolarHBondContact O-CB 3.02Å; R914-Y918 PolarHBondContact O-N 2.98Å
915Q82.2Confident80.7Confident3 Ų355.5 Ų55.51%0.01430%0.299CS..Hα-helixtrans-69-36.9-177.3-80-61.7-2.600112.8E780 W783 E787 V911 I912 H917 Y918 R919E780-Q915 PolarHBondContact OE1-NE2 3.13Å; W783-Q915 VanDerWaalsContact CB-NE2 3.3Å; E787-Q915 HydrophobicContact CB-CG 4.43Å; V911-Q915 PolarHBondContact O-N 2.85Å; I912-Q915 PolarHBondContact O-N 2.82Å; Q915-H917 PolarHBondContact O-N 3.28Å; Q915-Y918 PolarHBondContact O-N 2.83Å; Q915-R919 PolarHBondContact O-N 3.34Å
916R81.5Confident79.8Confident151 Ų15161.8 Ų61.857%0.5733%0.328SS*.Hα-helixtrans-61.7-42.5170.8-179.2171.8-87.1170.3-7.8111.8I912 A920 E926I912-R916 VanDerWaalsContact O-CB 3.31Å; I912-R916 WeakPolarHBondContact O-CB 3.34Å; I912-R916 PolarHBondContact O-N 2.63Å; R916-A920 VanDerWaalsContact O-CB 3.24Å; R916-A920 WeakPolarHBondContact O-CB 3.16Å; R916-A920 PolarHBondContact O-N 3.37Å; R916-E926 IonicContact NH2-OE1 3.14Å
917H77.8Confident79Confident101 Ų10166.4 Ų66.447%0.46836%0.359SS..Hα-helixtrans-64.5-42.9174.3-177.3-81.1000112.1Y913 R914 Q915 A920 S921Y913-H917 WeakPolarHBondContact O-CB 3.45Å; Y913-H917 PolarHBondContact O-N 2.92Å; R914-H917 PolarHBondContact O-N 3.42Å; Q915-H917 PolarHBondContact O-N 3.28Å; H917-A920 PolarHBondContact O-N 3.43Å; H917-S921 WeakPolarHBondContact O-CB 3.4Å; H917-S921 PolarHBondContact O-N 2.87Å; H917-S921 PolarHBondContact O-OG 3.14Å
918Y78.5Confident78.2Confident74 Ų7466 Ų6629%0.2936%0.36SS..Hα-helixtrans-62-49179.1-176.8-112.1000111.7E780 R914 Q915 A920 S921 L922E780-Y918 HydrophobicContact CG-CE1 4.19Å; E780-Y918 WeakPolarHBondContact OE1-CE1 3.32Å; R914-Y918 WeakPolarHBondContact O-CB 3.02Å; R914-Y918 PolarHBondContact O-N 2.98Å; Q915-Y918 PolarHBondContact O-N 2.83Å; Y918-A920 PolarHBondContact O-N 3.31Å; Y918-S921 PolarHBondContact O-N 3.2Å; Y918-S921 PolarHBondContact O-OG 3.42Å; Y918-L922 HydrophobicContact CD1-CD1 4.26Å; Y918-L922 HydrophobicContact CD2-CD1 4.07Å; Y918-L922 HydrophobicContact CE1-CD1 3.73Å; Y918-L922 HydrophobicContact CE2-CD1 3.53Å; Y918-L922 HydrophobicContact CG-CD1 4.41Å; Y918-L922 PolarHBondContact O-N 3.39Å
919R79Confident77.4Confident34 Ų3471.4 Ų71.413%0.12838%0.38CS..Hα-helixtrans-60.5-43.7173.2-70.6-165.2-175.3101.111.4112.6E787 Q915 S921 L922 G923 L924E787-R919 IonicContact OE1-CZ 2.8Å; E787-R919 VanDerWaalsContact OE1-CZ 3.25Å; E787-R919 IonicContact OE1-NH1 3.9Å; E787-R919 PolarHBondContact OE1-NH1 2.74Å; E787-R919 IonicContact OE1-NH2 2.66Å; E787-R919 PolarHBondContact OE1-NH2 2.85Å; E787-R919 IonicContact OE2-CZ 2.68Å; E787-R919 IonicContact OE2-NH1 3.66Å; E787-R919 IonicContact OE2-NH2 2.76Å; E787-R919 PolarHBondContact OE2-NH2 3.1Å; Q915-R919 PolarHBondContact O-N 3.34Å; R919-S921 VanDerWaalsContact C-N 3.28Å; R919-S921 PolarHBondContact O-N 3.25Å; R919-L922 CarbonylContact O-C 3.36Å; R919-L922 PolarHBondContact O-N 3.06Å; R919-L922 VanDerWaalsContact O-N 3.12Å; R919-G923 PolarHBondContact O-N 3.31Å; R919-L924 HydrophobicContact CB-CB 4.44Å; R919-L924 HydrophobicContact CG-CB 4.23Å; R919-L924 PolarHBondContact O-N 3.12Å
920A75.5Confident76.9Confident83 Ų8374.1 Ų74.169%0.68640%0.403SS*.Hα-helixtrans-62.6-34.1177.300000112.6R916 H917 Y918 L922R916-A920 VanDerWaalsContact O-CB 3.24Å; R916-A920 WeakPolarHBondContact O-CB 3.16Å; R916-A920 PolarHBondContact O-N 3.37Å; H917-A920 PolarHBondContact O-N 3.43Å; Y918-A920 PolarHBondContact O-N 3.31Å; A920-L922 VanDerWaalsContact C-N 3.3Å; A920-L922 PolarHBondContact O-N 3.2Å
921S72.2Confident76.6Confident77 Ų7776 Ų7654%0.53841%0.409SS..Hα-helixtrans-76.1-12.6175.867.80000114.7H917 Y918 R919H917-S921 WeakPolarHBondContact O-CB 3.4Å; H917-S921 PolarHBondContact O-N 2.87Å; H917-S921 PolarHBondContact O-OG 3.14Å; Y918-S921 PolarHBondContact O-N 3.2Å; Y918-S921 PolarHBondContact O-OG 3.42Å; R919-S921 VanDerWaalsContact C-N 3.28Å; R919-S921 PolarHBondContact O-N 3.25Å
922L75.6Confident76.3Confident95 Ų9576.4 Ų76.450%0.49741%0.412SS..Hα-helixtrans-121.8-6.3-176.7-69.5176.2000114.7Y918 R919 A920 L924Y918-L922 HydrophobicContact CD1-CD1 4.26Å; Y918-L922 HydrophobicContact CD2-CD1 4.07Å; Y918-L922 HydrophobicContact CE1-CD1 3.73Å; Y918-L922 HydrophobicContact CE2-CD1 3.53Å; Y918-L922 HydrophobicContact CG-CD1 4.41Å; Y918-L922 PolarHBondContact O-N 3.39Å; R919-L922 CarbonylContact O-C 3.36Å; R919-L922 PolarHBondContact O-N 3.06Å; R919-L922 VanDerWaalsContact O-N 3.12Å; A920-L922 VanDerWaalsContact C-N 3.3Å; A920-L922 PolarHBondContact O-N 3.2Å; L922-L924 HydrophobicContact CB-CD1 4.14Å; L922-L924 HydrophobicContact CB-CG 4.07Å; L922-L924 HydrophobicContact CD1-CD1 4.23Å
923G73.6Confident76.3Confident70 Ų7076.4 Ų76.472%0.72241%0.41SS*.THydrogen-bonded Turntrans72.224.9179.800000115.7R919R919-G923 PolarHBondContact O-N 3.31Å
924L76.8Confident75.9Confident67 Ų6774.6 Ų74.635%0.35141%0.408SS..  trans-86.7138.3-174.8-62.9171000113.3R919 L922 M928R919-L924 HydrophobicContact CB-CB 4.44Å; R919-L924 HydrophobicContact CG-CB 4.23Å; R919-L924 PolarHBondContact O-N 3.12Å; L922-L924 HydrophobicContact CB-CD1 4.14Å; L922-L924 HydrophobicContact CB-CG 4.07Å; L922-L924 HydrophobicContact CD1-CD1 4.23Å; L924-M928 HydrophobicContact CB-CE 4.36Å; L924-M928 HydrophobicContact CD2-CE 4.21Å
925P76.5Confident75.6Confident73 Ų7378.5 Ų78.547%0.47443%0.434SS..  trans-71.5151.7-177.828.3-36.6000114.4S927 M928P925-S927 VanDerWaalsContact C-N 3.32Å; P925-S927 PolarHBondContact O-N 2.93Å; P925-M928 HydrophobicContact CG-CE 3.62Å
926E69Low75.5Confident133 Ų13379.1 Ų79.162%0.62144%0.437SS*.G310 helixtrans-71.1-17.9-177.9-66.7-161.7144.800114.6R916 M928 R929R916-E926 IonicContact NH2-OE1 3.14Å; E926-M928 PolarHBondContact O-N 3.33Å; E926-M928 VanDerWaalsContact O-N 3.08Å; E926-R929 VanDerWaalsContact O-CB 3.29Å; E926-R929 WeakPolarHBondContact O-CB 3.46Å; E926-R929 PolarHBondContact O-N 2.85Å
927S69Low75.2Confident106 Ų10676.6 Ų76.674%0.74143%0.432SS*.G310 helixtrans-61.1-19.9-179.656.80000114.1P925 R929P925-S927 VanDerWaalsContact C-N 3.32Å; P925-S927 PolarHBondContact O-N 2.93Å; S927-R929 PolarHBondContact O-N 3.47Å
928M69.6Low75.1Confident64 Ų6476.9 Ų76.932%0.31543%0.433SS..G310 helixtrans-73.8-4.7175-71.5-171.3-106.100114.5L924 P925 E926 A930 K931 P934L924-M928 HydrophobicContact CB-CE 4.36Å; L924-M928 HydrophobicContact CD2-CE 4.21Å; P925-M928 HydrophobicContact CG-CE 3.62Å; E926-M928 PolarHBondContact O-N 3.33Å; E926-M928 VanDerWaalsContact O-N 3.08Å; M928-A930 PolarHBondContact O-N 3.31Å; M928-A930 VanDerWaalsContact O-N 3.08Å; M928-K931 PolarHBondContact O-N 3.43Å; M928-P934 HydrophobicContact CG-CB 4.22Å; M928-P934 HydrophobicContact SD-CB 3.72Å; M928-P934 HydrophobicContact SD-CG 4.2Å
929R71.6Confident75Confident115 Ų11577 Ų7743%0.43444%0.444SS..G310 helixtrans-58.2-22-177.8-176.3171.1-174.3-150.2-6.1114.9D828 E926 S927D828-R929 IonicContact OD2-CZ 2.69Å; D828-R929 IonicContact OD2-NH1 2.76Å; D828-R929 IonicContact OD2-NH2 2.97Å; D828-R929 PolarHBondContact OD2-NH2 2.92Å; E926-R929 VanDerWaalsContact O-CB 3.29Å; E926-R929 WeakPolarHBondContact O-CB 3.46Å; E926-R929 PolarHBondContact O-N 2.85Å; S927-R929 PolarHBondContact O-N 3.47Å
930A72.7Confident75.2Confident67 Ų6778.6 Ų78.655%0.55445%0.453SS*.G310 helixtrans-100.5-0.2-171.800000115.9M928M928-A930 PolarHBondContact O-N 3.31Å; M928-A930 VanDerWaalsContact O-N 3.08Å
931K76.6Confident75.4Confident93 Ų9377.3 Ų77.340%0.40443%0.432SS..  trans-126.7143.7-178.9-65.5-174.3179.1-1750110.9M928 Y955M928-K931 PolarHBondContact O-N 3.43Å; K931-Y955 PolarHBondContact NZ-OH 3.36Å; K931-Y955 VanDerWaalsContact NZ-OH 3.13Å
932V80.6Confident75.6Confident8 Ų874.9 Ų74.95%0.04841%0.413CS..SBendtrans-81.7-42176.1-178.50000110.3L781 V788 P934 I953 D954L781-V932 HydrophobicContact CD1-CG1 3.59Å; V788-V932 HydrophobicContact CG2-CG2 4.25Å; V932-P934 WeakPolarHBondContact O-CD 3.49Å; V932-I953 HydrophobicContact CB-CG2 4.25Å; V932-I953 HydrophobicContact CG2-CG2 4.22Å; V932-D954 PolarHBondContact N-OD1 2.92Å
933F81.9Confident75.8Confident38 Ų3879.2 Ų79.217%0.16742%0.423CS..  trans-111.892.2177.2-54.4-80.8000111.4L781 D935 F936 Q950 I953 D954L781-F933 HydrophobicContact CD1-CD1 4.11Å; L781-F933 HydrophobicContact CD1-CE1 3.45Å; L781-F933 VanDerWaalsContact CD1-CE1 3.45Å; L781-F933 HydrophobicContact CD1-CZ 3.79Å; L781-F933 HydrophobicContact CD2-CE1 4.21Å; L781-F933 HydrophobicContact CD2-CZ 4.29Å; L781-F933 HydrophobicContact CG-CE1 4.49Å; F933-D935 PolarHBondContact O-N 2.95Å; F933-F936 HydrophobicContact CB-CB 4.31Å; F933-F936 PolarHBondContact O-N 3.31Å; F933-Q950 HydrophobicContact CD1-CG 4.42Å; F933-Q950 HydrophobicContact CD2-CB 4.28Å; F933-Q950 HydrophobicContact CD2-CG 4.02Å; F933-Q950 HydrophobicContact CE2-CG 4.18Å; F933-Q950 HydrophobicContact CG-CG 4.14Å; F933-Q950 HydrophobicContact CZ-CG 4.44Å; F933-I953 HydrophobicContact CD2-CG2 4.47Å; F933-I953 HydrophobicContact CE2-CB 4.23Å; F933-I953 HydrophobicContact CE2-CD1 3.84Å; F933-I953 HydrophobicContact CE2-CG2 4.02Å; F933-I953 HydrophobicContact CZ-CD1 4.38Å; F933-D954 WeakPolarHBondContact CB-OD2 3.45Å; F933-D954 PolarHBondContact N-OD2 3.29Å
934P71.6Confident76.1Confident41 Ų4177.7 Ų77.727%0.26640%0.401SS..THydrogen-bonded Turntrans-63.6-22.9-17925.6-34.2000113.7R784 M928 V932 F936R784-P934 VanDerWaalsContact NH1-CD 3.32Å; M928-P934 HydrophobicContact CG-CB 4.22Å; M928-P934 HydrophobicContact SD-CB 3.72Å; M928-P934 HydrophobicContact SD-CG 4.2Å; V932-P934 WeakPolarHBondContact O-CD 3.49Å; P934-F936 VanDerWaalsContact C-N 3.32Å; P934-F936 PolarHBondContact O-N 2.93Å
935D76.3Confident76.1Confident155 Ų15579.5 Ų79.583%0.82941%0.411SS*.THydrogen-bonded Turntrans-81.2-4.1-174.9-44.4-37.3000114F933F933-D935 PolarHBondContact O-N 2.95Å
936F78.8Confident76.4Confident16 Ų1682.9 Ų82.97%0.0742%0.418CS..  trans-101.1132.7-169.1-179.4-101.3000114.4F933 P934 H940 N947 Q950 F951 Y955F933-F936 HydrophobicContact CB-CB 4.31Å; F933-F936 PolarHBondContact O-N 3.31Å; P934-F936 VanDerWaalsContact C-N 3.32Å; P934-F936 PolarHBondContact O-N 2.93Å; F936-H940 HydrophobicContact CE2-CB 4.09Å; F936-N947 HydrophobicContact CE2-CB 3.87Å; F936-N947 WeakPolarHBondContact CZ-O 3.15Å; F936-Q950 HydrophobicContact CB-CB 4.47Å; F936-Q950 HydrophobicContact CD1-CB 4.27Å; F936-Q950 HydrophobicContact CD2-CB 4.06Å; F936-Q950 HydrophobicContact CE2-CB 4.47Å; F936-Q950 HydrophobicContact CG-CB 3.97Å; F936-F951 HydrophobicContact CE1-CB 3.63Å; F936-F951 HydrophobicContact CE1-CD2 4.13Å; F936-F951 HydrophobicContact CE1-CG 4.4Å; F936-F951 HydrophobicContact CZ-CB 3.77Å; F936-Y955 HydrophobicContact CD1-CE2 4.17Å; F936-Y955 HydrophobicContact CE1-CD2 4.43Å; F936-Y955 HydrophobicContact CE1-CE2 4.27Å
937H75.3Confident77.1Confident99 Ų9977.9 Ų77.946%0.45840%0.396SS..  trans-121.6140.8178.1-169.7-86.4000112S939 H940H937-S939 VanDerWaalsContact C-N 3.28Å; H937-S939 PolarHBondContact ND1-OG 3.25Å; H937-S939 PolarHBondContact O-N 3.5Å; H937-S939 VanDerWaalsContact O-N 3.12Å; H937-H940 PolarHBondContact O-N 3.34Å; H937-H940 VanDerWaalsContact O-N 3.12Å
938H75.5Confident77.8Confident107 Ų10773.7 Ų73.750%0.49537%0.368SS..G310 helixtrans-59.6-31.8-164.964.5-113.2000114.5H940 F941 F951H938-H940 PolarHBondContact O-N 2.63Å; H938-H940 VanDerWaalsContact O-N 3.13Å; H938-F941 WeakPolarHBondContact O-CB 3.5Å; H938-F941 PolarHBondContact O-N 2.96Å; H938-F951 HydrophobicContact CB-CD2 4.46Å; H938-F951 HydrophobicContact CB-CE2 4.32Å
939S77.9Confident78.4Confident76 Ų7675 Ų7553%0.53137%0.374SS..G310 helixtrans-65.3-13.7-179.451.90000114.3H937H937-S939 VanDerWaalsContact C-N 3.28Å; H937-S939 PolarHBondContact ND1-OG 3.25Å; H937-S939 PolarHBondContact O-N 3.5Å; H937-S939 VanDerWaalsContact O-N 3.12Å
940H82.8Confident79.1Confident67 Ų6770.9 Ų70.931%0.3136%0.36SS..G310 helixtrans-90.1-0.5179.7-64.6-91.3000114.1F936 H937 H938 D942 R943 N947F936-H940 HydrophobicContact CE2-CB 4.09Å; H937-H940 PolarHBondContact O-N 3.34Å; H937-H940 VanDerWaalsContact O-N 3.12Å; H938-H940 PolarHBondContact O-N 2.63Å; H938-H940 VanDerWaalsContact O-N 3.13Å; H940-D942 VanDerWaalsContact C-N 3.32Å; H940-D942 PolarHBondContact O-N 2.84Å; H940-R943 PolarHBondContact O-N 3.29Å; H940-N947 VanDerWaalsContact O-CB 3.24Å; H940-N947 WeakPolarHBondContact O-CB 3.44Å; H940-N947 PolarHBondContact O-ND2 3.38Å
941F79.8Confident79.7Confident56 Ų5669.3 Ų69.325%0.24634%0.341CS..G310 helixtrans-46.8-49.2-179.2174.5-109.8000113.3H938 R943 A948 F951H938-F941 WeakPolarHBondContact O-CB 3.5Å; H938-F941 PolarHBondContact O-N 2.96Å; F941-R943 VanDerWaalsContact C-N 3.32Å; F941-R943 PolarHBondContact O-N 2.82Å; F941-A948 HydrophobicContact CD2-CB 3.98Å; F941-A948 HydrophobicContact CE2-CB 3.66Å; F941-A948 HydrophobicContact CZ-CB 4.42Å; F941-F951 HydrophobicContact CD2-CB 3.66Å; F941-F951 AromaticContact CD2-CD1 3.5Å; F941-F951 HydrophobicContact CD2-CD1 3.5Å; F941-F951 HydrophobicContact CD2-CD2 4.44Å; F941-F951 HydrophobicContact CD2-CE1 4.25Å; F941-F951 AromaticContact CD2-CG 3.62Å; F941-F951 HydrophobicContact CD2-CG 3.62Å; F941-F951 HydrophobicContact CE2-CB 4.33Å; F941-F951 AromaticContact CE2-CD1 3.6Å; F941-F951 HydrophobicContact CE2-CD1 3.6Å; F941-F951 HydrophobicContact CE2-CE1 4.23Å; F941-F951 HydrophobicContact CE2-CG 4.18Å; F941-F951 HydrophobicContact CG-CD1 4.4Å; F941-F951 HydrophobicContact CG-CG 4.39Å
942D76.9Confident80.1Confident26 Ų2670.4 Ų70.414%0.13935%0.351CS..G310 helixtrans-73.5-16.7-172.5-78.8-9.5000115.2H940 K1123H940-D942 VanDerWaalsContact C-N 3.32Å; H940-D942 PolarHBondContact O-N 2.84Å; D942-K1123 WeakPolarHBondContact OD1-CE 3.29Å; D942-K1123 IonicContact OD1-NZ 2.64Å; D942-K1123 PolarHBondContact OD1-NZ 3.05Å; D942-K1123 IonicContact OD2-NZ 3.16Å; D942-K1123 PolarHBondContact OD2-NZ 3.06Å
943R78.7Confident80.3Confident186 Ų18674 Ų7470%0.70237%0.369SS*.G310 helixtrans-73-33.5-171.8-65.4-170.5-177.8-170-0.1113.8H940 F941H940-R943 PolarHBondContact O-N 3.29Å; F941-R943 VanDerWaalsContact C-N 3.32Å; F941-R943 PolarHBondContact O-N 2.82Å
944S79.6Confident80.4Confident39 Ų3974 Ų7427%0.27337%0.37SS..  trans-158.6156-178.479.10000113K946 N947 A948S944-K946 PolarHBondContact O-N 3.13Å; S944-N947 WeakPolarHBondContact O-CB 3.24Å; S944-N947 PolarHBondContact O-N 3.05Å; S944-N947 VanDerWaalsContact OG-CG 3.29Å; S944-N947 PolarHBondContact OG-N 3.5Å; S944-N947 PolarHBondContact OG-OD1 3.39Å; S944-A948 PolarHBondContact O-N 3.15Å
945L77.3Confident81.1Confident105 Ų10574.1 Ų74.155%0.5537%0.366SS..Hα-helixtrans-60.7-31.4175.7-171.1123000112.7A948 I949L945-A948 PolarHBondContact O-N 3.18Å; L945-I949 HydrophobicContact CD2-CD1 3.7Å; L945-I949 HydrophobicContact CG-CD1 4.35Å; L945-I949 WeakPolarHBondContact O-CG1 3.36Å; L945-I949 PolarHBondContact O-N 3.3Å
946K82.3Confident81.5Confident143 Ų14367.1 Ų67.162%0.62233%0.33SS*.Hα-helixtrans-60.7-47.2172.5-180-173.1172.1-171.40111.1S944 A948 I949 Q950S944-K946 PolarHBondContact O-N 3.13Å; K946-A948 VanDerWaalsContact C-N 3.3Å; K946-A948 PolarHBondContact O-N 2.9Å; K946-I949 PolarHBondContact O-N 3.46Å; K946-Q950 WeakPolarHBondContact O-CG 3.14Å; K946-Q950 PolarHBondContact O-N 3.47Å
947N85.1Confident82Confident29 Ų2969.2 Ų69.216%0.15534%0.339CS..Hα-helixtrans-65.3-36.5178.7-65.17.6000111.2F936 H940 S944 Q950 F951F936-N947 HydrophobicContact CE2-CB 3.87Å; F936-N947 WeakPolarHBondContact CZ-O 3.15Å; H940-N947 VanDerWaalsContact O-CB 3.24Å; H940-N947 WeakPolarHBondContact O-CB 3.44Å; H940-N947 PolarHBondContact O-ND2 3.38Å; S944-N947 WeakPolarHBondContact O-CB 3.24Å; S944-N947 PolarHBondContact O-N 3.05Å; S944-N947 VanDerWaalsContact OG-CG 3.29Å; S944-N947 PolarHBondContact OG-N 3.5Å; S944-N947 PolarHBondContact OG-OD1 3.39Å; N947-Q950 PolarHBondContact O-N 2.7Å; N947-F951 WeakPolarHBondContact O-CB 3.02Å; N947-F951 PolarHBondContact O-N 2.97Å
948A82.2Confident82.5Confident18 Ų1866.8 Ų66.815%0.14933%0.327CS..Hα-helixtrans-63.7-39.9174.400000112.8F941 S944 L945 K946 L952F941-A948 HydrophobicContact CD2-CB 3.98Å; F941-A948 HydrophobicContact CE2-CB 3.66Å; F941-A948 HydrophobicContact CZ-CB 4.42Å; S944-A948 PolarHBondContact O-N 3.15Å; L945-A948 PolarHBondContact O-N 3.18Å; K946-A948 VanDerWaalsContact C-N 3.3Å; K946-A948 PolarHBondContact O-N 2.9Å; A948-L952 WeakPolarHBondContact O-CB 3.37Å; A948-L952 PolarHBondContact O-N 3.45Å
949I83.7Confident83Confident90 Ų9064 Ų6446%0.46231%0.313SS..Hα-helixtrans-69-42.2174.8-67.8166.4000111.3L945 K946 F951 L952 I953L945-I949 HydrophobicContact CD2-CD1 3.7Å; L945-I949 HydrophobicContact CG-CD1 4.35Å; L945-I949 WeakPolarHBondContact O-CG1 3.36Å; L945-I949 PolarHBondContact O-N 3.3Å; K946-I949 PolarHBondContact O-N 3.46Å; I949-F951 VanDerWaalsContact C-N 3.34Å; I949-F951 PolarHBondContact O-N 3.03Å; I949-L952 PolarHBondContact O-N 2.97Å; I949-L952 VanDerWaalsContact O-N 3.16Å; I949-I953 HydrophobicContact CG2-CD1 3.86Å; I949-I953 WeakPolarHBondContact O-CG1 3.33Å; I949-I953 PolarHBondContact O-N 3.4Å
950Q85.6Confident83.5Confident29 Ų2964.1 Ų64.114%0.13630%0.304CS..Hα-helixtrans-61-43175.7-71.1180-54.200111.6F933 F936 K946 N947 L952 I953 D954F933-Q950 HydrophobicContact CD1-CG 4.42Å; F933-Q950 HydrophobicContact CD2-CB 4.28Å; F933-Q950 HydrophobicContact CD2-CG 4.02Å; F933-Q950 HydrophobicContact CE2-CG 4.18Å; F933-Q950 HydrophobicContact CG-CG 4.14Å; F933-Q950 HydrophobicContact CZ-CG 4.44Å; F936-Q950 HydrophobicContact CB-CB 4.47Å; F936-Q950 HydrophobicContact CD1-CB 4.27Å; F936-Q950 HydrophobicContact CD2-CB 4.06Å; F936-Q950 HydrophobicContact CE2-CB 4.47Å; F936-Q950 HydrophobicContact CG-CB 3.97Å; K946-Q950 WeakPolarHBondContact O-CG 3.14Å; K946-Q950 PolarHBondContact O-N 3.47Å; N947-Q950 PolarHBondContact O-N 2.7Å; Q950-L952 VanDerWaalsContact C-N 3.35Å; Q950-L952 PolarHBondContact O-N 3.39Å; Q950-I953 PolarHBondContact O-N 3.1Å; Q950-D954 PolarHBondContact O-N 2.93Å; Q950-D954 VanDerWaalsContact O-N 3.08Å
951F86Confident83.8Confident35 Ų3561 Ų6115%0.15429%0.29CS..Hα-helixtrans-58.3-43.8171.7176.9-99.9000112.7F936 H938 F941 N947 I949 I953 Y955 G956 K959F936-F951 HydrophobicContact CE1-CB 3.63Å; F936-F951 HydrophobicContact CE1-CD2 4.13Å; F936-F951 HydrophobicContact CE1-CG 4.4Å; F936-F951 HydrophobicContact CZ-CB 3.77Å; H938-F951 HydrophobicContact CB-CD2 4.46Å; H938-F951 HydrophobicContact CB-CE2 4.32Å; F941-F951 HydrophobicContact CD2-CB 3.66Å; F941-F951 AromaticContact CD2-CD1 3.5Å; F941-F951 HydrophobicContact CD2-CD1 3.5Å; F941-F951 HydrophobicContact CD2-CD2 4.44Å; F941-F951 HydrophobicContact CD2-CE1 4.25Å; F941-F951 AromaticContact CD2-CG 3.62Å; F941-F951 HydrophobicContact CD2-CG 3.62Å; F941-F951 HydrophobicContact CE2-CB 4.33Å; F941-F951 AromaticContact CE2-CD1 3.6Å; F941-F951 HydrophobicContact CE2-CD1 3.6Å; F941-F951 HydrophobicContact CE2-CE1 4.23Å; F941-F951 HydrophobicContact CE2-CG 4.18Å; F941-F951 HydrophobicContact CG-CD1 4.4Å; F941-F951 HydrophobicContact CG-CG 4.39Å; N947-F951 WeakPolarHBondContact O-CB 3.02Å; N947-F951 PolarHBondContact O-N 2.97Å; I949-F951 VanDerWaalsContact C-N 3.34Å; I949-F951 PolarHBondContact O-N 3.03Å; F951-I953 PolarHBondContact O-N 3.3Å; F951-Y955 AromaticContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CG 4.29Å; F951-Y955 HydrophobicContact CE2-CD2 4.3Å; F951-Y955 HydrophobicContact CE2-CG 4.27Å; F951-Y955 WeakPolarHBondContact O-CA 3.39Å; F951-Y955 WeakPolarHBondContact O-CB 3.37Å; F951-Y955 PolarHBondContact O-N 3.49Å; F951-G956 PolarHBondContact O-N 2.9Å; F951-K959 HydrophobicContact CZ-CG 4.06Å
952L84.7Confident84.3Confident116 Ų11658.9 Ų58.961%0.60728%0.281SS*.Hα-helixtrans-67.8-34.6-179.2-167144.7000112.4A948 I949 Q950 G956A948-L952 WeakPolarHBondContact O-CB 3.37Å; A948-L952 PolarHBondContact O-N 3.45Å; I949-L952 PolarHBondContact O-N 2.97Å; I949-L952 VanDerWaalsContact O-N 3.16Å; Q950-L952 VanDerWaalsContact C-N 3.35Å; Q950-L952 PolarHBondContact O-N 3.39Å; L952-G956 WeakPolarHBondContact O-CA 3.28Å; L952-G956 PolarHBondContact O-N 3.01Å
953I84.1Confident85Confident84 Ų8458.2 Ų58.243%0.43128%0.277SS..Hα-helixtrans-71.3-48.7176.9-68.1167.5000111.6V932 F933 I949 Q950 F951V932-I953 HydrophobicContact CB-CG2 4.25Å; V932-I953 HydrophobicContact CG2-CG2 4.22Å; F933-I953 HydrophobicContact CD2-CG2 4.47Å; F933-I953 HydrophobicContact CE2-CB 4.23Å; F933-I953 HydrophobicContact CE2-CD1 3.84Å; F933-I953 HydrophobicContact CE2-CG2 4.02Å; F933-I953 HydrophobicContact CZ-CD1 4.38Å; I949-I953 HydrophobicContact CG2-CD1 3.86Å; I949-I953 WeakPolarHBondContact O-CG1 3.33Å; I949-I953 PolarHBondContact O-N 3.4Å; Q950-I953 PolarHBondContact O-N 3.1Å; F951-I953 PolarHBondContact O-N 3.3Å
954D84.5Confident85.6Confident36 Ų3652.3 Ų52.319%0.19326%0.259CS..Hα-helixtrans-83.7-29.2-175.8-71.9-47.1000113.7V932 F933 Q950V932-D954 PolarHBondContact N-OD1 2.92Å; F933-D954 WeakPolarHBondContact CB-OD2 3.45Å; F933-D954 PolarHBondContact N-OD2 3.29Å; Q950-D954 PolarHBondContact O-N 2.93Å; Q950-D954 VanDerWaalsContact O-N 3.08Å
955Y85.2Confident86.2Confident44 Ų4450.6 Ų50.617%0.17325%0.247CC..Hα-helixtrans-123.5-1-174.7-58.6-85.3000115K931 F936 F951 F957 Y958 K959K931-Y955 PolarHBondContact NZ-OH 3.36Å; K931-Y955 VanDerWaalsContact NZ-OH 3.13Å; F936-Y955 HydrophobicContact CD1-CE2 4.17Å; F936-Y955 HydrophobicContact CE1-CD2 4.43Å; F936-Y955 HydrophobicContact CE1-CE2 4.27Å; F951-Y955 AromaticContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CG 4.29Å; F951-Y955 HydrophobicContact CE2-CD2 4.3Å; F951-Y955 HydrophobicContact CE2-CG 4.27Å; F951-Y955 WeakPolarHBondContact O-CA 3.39Å; F951-Y955 WeakPolarHBondContact O-CB 3.37Å; F951-Y955 PolarHBondContact O-N 3.49Å; Y955-F957 PolarHBondContact O-N 2.97Å; Y955-Y958 HydrophobicContact CD1-CD1 4.5Å; Y955-Y958 WeakPolarHBondContact O-CB 3.47Å; Y955-Y958 PolarHBondContact O-N 2.86Å; Y955-Y958 VanDerWaalsContact O-N 3.09Å; Y955-K959 PolarHBondContact O-N 3.11Å
956G85.6Confident86.9Confident8 Ų846.3 Ų46.38%0.08222%0.224CC..Hα-helixtrans-57.7-52.4-176.700000113.3F951 L952 Y958 K959 F960F951-G956 PolarHBondContact O-N 2.9Å; L952-G956 WeakPolarHBondContact O-CA 3.28Å; L952-G956 PolarHBondContact O-N 3.01Å; G956-Y958 VanDerWaalsContact C-N 3.26Å; G956-Y958 PolarHBondContact O-N 2.78Å; G956-K959 PolarHBondContact O-N 2.93Å; G956-F960 WeakPolarHBondContact O-CD2 3.49Å; G956-F960 PolarHBondContact O-N 3.09Å
957F88.3Confident87.4Confident60 Ų6040.9 Ų40.926%0.26320%0.201SC..Hα-helixtrans-67.9-24.9176.3-166.3-93.6000112.9Y955 G961 I964 L1076 C1079 Q1080 V1083Y955-F957 PolarHBondContact O-N 2.97Å; F957-G961 WeakPolarHBondContact O-CA 3.5Å; F957-G961 PolarHBondContact O-N 3.42Å; F957-I964 HydrophobicContact CD2-CD1 4.2Å; F957-I964 HydrophobicContact CE2-CG2 4.31Å; F957-L1076 HydrophobicContact CE2-CD2 4Å; F957-L1076 HydrophobicContact CZ-CD2 4.5Å; F957-C1079 HydrophobicContact CD1-CB 4.45Å; F957-C1079 HydrophobicContact CE1-CB 3.59Å; F957-C1079 HydrophobicContact CZ-CB 3.84Å; F957-Q1080 HydrophobicContact CE1-CB 4.33Å; F957-Q1080 HydrophobicContact CZ-CB 4.22Å; F957-V1083 HydrophobicContact CD1-CG2 3.89Å; F957-V1083 HydrophobicContact CE1-CG2 4.05Å
958Y87.2Confident87.8Confident49 Ų4940.3 Ų40.319%0.19220%0.201CC..Hα-helixtrans-70.8-31.1174.1178.9-96.7000112.8Y955 G956 V1083 N1091Y955-Y958 HydrophobicContact CD1-CD1 4.5Å; Y955-Y958 WeakPolarHBondContact O-CB 3.47Å; Y955-Y958 PolarHBondContact O-N 2.86Å; Y955-Y958 VanDerWaalsContact O-N 3.09Å; G956-Y958 VanDerWaalsContact C-N 3.26Å; G956-Y958 PolarHBondContact O-N 2.78Å; Y958-V1083 HydrophobicContact CD2-CG1 3.82Å; Y958-V1083 HydrophobicContact CE2-CG1 4.29Å; Y958-N1091 PolarHBondContact O-ND2 3.26Å
959K86.1Confident88.4Confident49 Ų4939.6 Ų39.621%0.21319%0.194CC..Hα-helixtrans-91.5-35.5178.1-72.8-57.2-172.5-175.60114.4F951 Y955 G956 D1090 N1091F951-K959 HydrophobicContact CZ-CG 4.06Å; Y955-K959 PolarHBondContact O-N 3.11Å; G956-K959 PolarHBondContact O-N 2.93Å; K959-D1090 PolarHBondContact NZ-O 2.85Å; K959-N1091 WeakPolarHBondContact CD-OD1 3.24Å; K959-N1091 WeakPolarHBondContact CE-OD1 3.36Å; K959-N1091 PolarHBondContact NZ-OD1 3.32Å
960F88.3Confident88.8Confident78 Ų7835.3 Ų35.334%0.34217%0.173SC..Hα-helixtrans-116.89.6-172.7-56.8-68.5000114.6G956 L962 E963 I964 F1272G956-F960 WeakPolarHBondContact O-CD2 3.49Å; G956-F960 PolarHBondContact O-N 3.09Å; F960-L962 VanDerWaalsContact C-N 3.33Å; F960-L962 PolarHBondContact O-N 3.11Å; F960-E963 VanDerWaalsContact C-OE2 3.25Å; F960-E963 WeakPolarHBondContact CA-OE2 3.33Å; F960-E963 PolarHBondContact O-N 2.71Å; F960-I964 HydrophobicContact CB-CD1 4.12Å; F960-I964 HydrophobicContact CB-CG1 4.49Å; F960-I964 VanDerWaalsContact O-CG1 3.29Å; F960-I964 WeakPolarHBondContact O-CG1 3.46Å; F960-I964 PolarHBondContact O-N 3.35Å; F960-F1272 HydrophobicContact CD1-CE1 4.2Å
961G89.3Confident89.1Confident0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-62-34.4-171.700000114.7F957 T965 Q1080F957-G961 WeakPolarHBondContact O-CA 3.5Å; F957-G961 PolarHBondContact O-N 3.42Å; G961-T965 WeakPolarHBondContact O-CG2 3.4Å; G961-T965 PolarHBondContact O-N 3.39Å; G961-T965 PolarHBondContact O-OG1 2.8Å; G961-Q1080 VanDerWaalsContact C-OE1 3.31Å; G961-Q1080 VanDerWaalsContact CA-OE1 3.31Å
962L90.1Very high89.4Confident13 Ų1336.4 Ų36.47%0.06818%0.18CC..Hα-helixtrans-69-42.8176.3174.859.9000111.6F960 I964 T965 M966 R996 V999 W1003 F1084F960-L962 VanDerWaalsContact C-N 3.33Å; F960-L962 PolarHBondContact O-N 3.11Å; L962-I964 VanDerWaalsContact C-N 3.34Å; L962-T965 WeakPolarHBondContact CA-OG1 3.48Å; L962-T965 PolarHBondContact O-N 3.47Å; L962-T965 PolarHBondContact O-OG1 3.34Å; L962-M966 HydrophobicContact CD1-CG 4.43Å; L962-M966 HydrophobicContact CG-CE 4.2Å; L962-M966 WeakPolarHBondContact O-CG 3.5Å; L962-M966 PolarHBondContact O-N 2.87Å; L962-R996 HydrophobicContact CD2-CG 4.18Å; L962-V999 HydrophobicContact CD1-CG1 3.88Å; L962-W1003 HydrophobicContact CD1-CH2 4.36Å; L962-W1003 HydrophobicContact CD1-CZ3 3.98Å; L962-F1084 HydrophobicContact CD1-CZ 4.36Å; L962-F1084 HydrophobicContact CD2-CZ 4.49Å
963E91Very high89.7Confident11 Ų1130.9 Ų30.95%0.05115%0.151CC..Hα-helixtrans-63.6-42.6176.8-62.584.1166.100110.5F960 M966 I967 V1271 F1272 R1275F960-E963 VanDerWaalsContact C-OE2 3.25Å; F960-E963 WeakPolarHBondContact CA-OE2 3.33Å; F960-E963 PolarHBondContact O-N 2.71Å; E963-M966 PolarHBondContact O-N 3.36Å; E963-I967 VanDerWaalsContact O-CG1 3.32Å; E963-I967 WeakPolarHBondContact O-CG1 3.38Å; E963-I967 PolarHBondContact O-N 2.9Å; E963-I967 VanDerWaalsContact O-N 3.13Å; E963-V1271 HydrophobicContact CB-CG1 4.02Å; E963-V1271 HydrophobicContact CG-CG1 3.88Å; E963-F1272 HydrophobicContact CB-CE1 4.4Å; E963-R1275 WeakPolarHBondContact OE1-CD 3.3Å; E963-R1275 IonicContact OE1-NE 3.53Å; E963-R1275 PolarHBondContact OE1-NE 3.5Å
964I91.4Very high90.1Very high62 Ų6230.4 Ų30.432%0.31815%0.146SC..Hα-helixtrans-63.8-41.4174.9-67.4164.3000111.7F957 F960 L962 I967 A968F957-I964 HydrophobicContact CD2-CD1 4.2Å; F957-I964 HydrophobicContact CE2-CG2 4.31Å; F960-I964 HydrophobicContact CB-CD1 4.12Å; F960-I964 HydrophobicContact CB-CG1 4.49Å; F960-I964 VanDerWaalsContact O-CG1 3.29Å; F960-I964 WeakPolarHBondContact O-CG1 3.46Å; F960-I964 PolarHBondContact O-N 3.35Å; L962-I964 VanDerWaalsContact C-N 3.34Å; I964-I967 PolarHBondContact O-N 2.78Å; I964-A968 WeakPolarHBondContact O-CB 3.27Å; I964-A968 PolarHBondContact O-N 2.94Å
965T92.8Very high90.2Very high3 Ų332.2 Ų32.22%0.01816%0.156CC..Hα-helixtrans-69.4-36.4178.3500000113G961 L962 I967 A968 I969 W1003 L1076 Q1080G961-T965 WeakPolarHBondContact O-CG2 3.4Å; G961-T965 PolarHBondContact O-N 3.39Å; G961-T965 PolarHBondContact O-OG1 2.8Å; L962-T965 WeakPolarHBondContact CA-OG1 3.48Å; L962-T965 PolarHBondContact O-N 3.47Å; L962-T965 PolarHBondContact O-OG1 3.34Å; T965-I967 VanDerWaalsContact C-N 3.35Å; T965-A968 PolarHBondContact O-N 2.81Å; T965-I969 VanDerWaalsContact O-CG1 3.32Å; T965-I969 WeakPolarHBondContact O-CG1 3.39Å; T965-I969 PolarHBondContact O-N 2.82Å; T965-W1003 HydrophobicContact CG2-CH2 4.34Å; T965-W1003 HydrophobicContact CG2-CZ2 3.98Å; T965-W1003 VanDerWaalsContact OG1-CH2 3.25Å; T965-W1003 WeakPolarHBondContact OG1-CH2 3.02Å; T965-L1076 HydrophobicContact CG2-CB 3.86Å; T965-Q1080 HydrophobicContact CG2-CB 4.04Å
966M92.4Very high90.3Very high16 Ų1630.2 Ų30.28%0.07915%0.148CC..Hα-helixtrans-64.5-39.2173.6-70-175.5-59.900112.1L962 E963 I969 G970 L988 F991 A992 V1271L962-M966 HydrophobicContact CD1-CG 4.43Å; L962-M966 HydrophobicContact CG-CE 4.2Å; L962-M966 WeakPolarHBondContact O-CG 3.5Å; L962-M966 PolarHBondContact O-N 2.87Å; E963-M966 PolarHBondContact O-N 3.36Å; M966-I969 PolarHBondContact O-N 2.91Å; M966-G970 PolarHBondContact O-N 3.4Å; M966-L988 HydrophobicContact CB-CD1 4.02Å; M966-L988 HydrophobicContact CG-CD1 4.42Å; M966-L988 WeakPolarHBondContact O-CD1 3.17Å; M966-F991 HydrophobicContact CG-CB 4.29Å; M966-F991 HydrophobicContact SD-CB 4.05Å; M966-A992 HydrophobicContact SD-CB 4.42Å; M966-V1271 HydrophobicContact CE-CG1 3.81Å
967I92.5Very high90.4Very high28 Ų2830.3 Ų30.314%0.14415%0.147CC..Hα-helixtrans-66-40.9174.3-66.3167.3000110.7E963 I964 T965 I969 G970 I971 F1272E963-I967 VanDerWaalsContact O-CG1 3.32Å; E963-I967 WeakPolarHBondContact O-CG1 3.38Å; E963-I967 PolarHBondContact O-N 2.9Å; E963-I967 VanDerWaalsContact O-N 3.13Å; I964-I967 PolarHBondContact O-N 2.78Å; T965-I967 VanDerWaalsContact C-N 3.35Å; I967-I969 VanDerWaalsContact C-N 3.34Å; I967-I969 PolarHBondContact O-N 2.79Å; I967-G970 PolarHBondContact O-N 3.31Å; I967-G970 VanDerWaalsContact O-N 3.15Å; I967-I971 HydrophobicContact CG2-CD1 3.98Å; I967-I971 WeakPolarHBondContact O-CG1 3.24Å; I967-I971 PolarHBondContact O-N 2.88Å; I967-F1272 HydrophobicContact CD1-CD2 4.3Å; I967-F1272 HydrophobicContact CD1-CE2 3.61Å; I967-F1272 HydrophobicContact CD1-CZ 4.26Å
968A92.9Very high90.4Very high18 Ų1827.5 Ų27.515%0.14914%0.135CC..Hα-helixtrans-61.7-39.5175.800000112.6I964 T965 I971 D972 L1076I964-A968 WeakPolarHBondContact O-CB 3.27Å; I964-A968 PolarHBondContact O-N 2.94Å; T965-A968 PolarHBondContact O-N 2.81Å; A968-I971 PolarHBondContact O-N 3.04Å; A968-D972 PolarHBondContact O-N 3.48Å; A968-L1076 HydrophobicContact CB-CD1 3.73Å
969I94.1Very high90.4Very high2 Ų226.2 Ų26.21%0.0113%0.134CC..Hα-helixtrans-63.3-42.6172.6-66.8164.7000110.6T965 M966 I967 I971 D972 I973 Q984 L988 F991 Y1006 V1073T965-I969 VanDerWaalsContact O-CG1 3.32Å; T965-I969 WeakPolarHBondContact O-CG1 3.39Å; T965-I969 PolarHBondContact O-N 2.82Å; M966-I969 PolarHBondContact O-N 2.91Å; I967-I969 VanDerWaalsContact C-N 3.34Å; I967-I969 PolarHBondContact O-N 2.79Å; I969-I971 VanDerWaalsContact C-N 3.3Å; I969-I971 PolarHBondContact O-N 3.16Å; I969-D972 PolarHBondContact O-N 3.44Å; I969-I973 HydrophobicContact CG2-CD1 3.81Å; I969-I973 HydrophobicContact CG2-CG1 4.44Å; I969-I973 WeakPolarHBondContact O-CD1 3.31Å; I969-I973 VanDerWaalsContact O-CG1 3.24Å; I969-I973 WeakPolarHBondContact O-CG1 3.45Å; I969-I973 PolarHBondContact O-N 2.97Å; I969-Q984 HydrophobicContact CG2-CB 4.26Å; I969-L988 HydrophobicContact CG2-CB 4.03Å; I969-L988 HydrophobicContact CG2-CD1 4.36Å; I969-F991 HydrophobicContact CD1-CD2 4.09Å; I969-F991 HydrophobicContact CD1-CE2 4.01Å; I969-Y1006 HydrophobicContact CD1-CE1 4.23Å; I969-V1073 HydrophobicContact CG1-CG1 4.21Å
970G92.5Very high90.6Very high1 Ų125.1 Ų25.11%0.0113%0.13CC..Hα-helixtrans-60.7-35.2174.600000114.1M966 I967 F974 V1264M966-G970 PolarHBondContact O-N 3.4Å; I967-G970 PolarHBondContact O-N 3.31Å; I967-G970 VanDerWaalsContact O-N 3.15Å; G970-F974 PolarHBondContact O-N 2.84Å; G970-V1264 WeakPolarHBondContact O-CG2 3.3Å
971I92.3Very high90.7Very high83 Ų8321.4 Ų21.443%0.42611%0.114SC..Hα-helixtrans-72.3-40175.4-67.4164.9000111.3I967 A968 I969 F974 N975 V1264I967-I971 HydrophobicContact CG2-CD1 3.98Å; I967-I971 WeakPolarHBondContact O-CG1 3.24Å; I967-I971 PolarHBondContact O-N 2.88Å; A968-I971 PolarHBondContact O-N 3.04Å; I969-I971 VanDerWaalsContact C-N 3.3Å; I969-I971 PolarHBondContact O-N 3.16Å; I971-F974 PolarHBondContact O-N 3.32Å; I971-N975 PolarHBondContact O-N 2.82Å; I971-V1264 HydrophobicContact CG1-CG1 4.31Å
972D91.8Very high90.7Very high3 Ų322.7 Ų22.72%0.01613%0.125CC..Hα-helixtrans-62.9-46176.5-173.462.9000111.6A968 I969 F974 N975 R976 V1073A968-D972 PolarHBondContact O-N 3.48Å; I969-D972 PolarHBondContact O-N 3.44Å; D972-F974 VanDerWaalsContact C-N 3.28Å; D972-F974 PolarHBondContact O-N 3.47Å; D972-N975 PolarHBondContact O-N 3.25Å; D972-R976 WeakPolarHBondContact O-CB 3.2Å; D972-R976 WeakPolarHBondContact O-CG 3.31Å; D972-R976 PolarHBondContact O-N 3.45Å; D972-R976 WeakPolarHBondContact OD2-CD 3.43Å; D972-V1073 HydrophobicContact CB-CG2 3.92Å
973I92.5Very high90.8Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-54.4-44.2172.6-67.8160.7000111.2I969 R976 M977 A981 Q984 C985 L988 I1195 V1199 I1260I969-I973 HydrophobicContact CG2-CD1 3.81Å; I969-I973 HydrophobicContact CG2-CG1 4.44Å; I969-I973 WeakPolarHBondContact O-CD1 3.31Å; I969-I973 VanDerWaalsContact O-CG1 3.24Å; I969-I973 WeakPolarHBondContact O-CG1 3.45Å; I969-I973 PolarHBondContact O-N 2.97Å; I973-R976 PolarHBondContact O-N 3.13Å; I973-M977 PolarHBondContact O-N 3.37Å; I973-A981 HydrophobicContact CB-CB 4.5Å; I973-A981 HydrophobicContact CG2-CB 4.26Å; I973-Q984 HydrophobicContact CD1-CB 4.01Å; I973-Q984 HydrophobicContact CG1-CB 3.65Å; I973-C985 VanDerWaalsContact CG2-SG 3.55Å; I973-L988 HydrophobicContact CD1-CB 4.31Å; I973-L988 HydrophobicContact CD1-CD2 3.78Å; I973-I1195 HydrophobicContact CG2-CG2 4.33Å; I973-V1199 HydrophobicContact CG2-CG2 3.77Å; I973-I1260 HydrophobicContact CG2-CD1 3.74Å
974F90.4Very high90.8Very high75 Ų7525.5 Ų25.533%0.32914%0.139SC..Hα-helixtrans-65.6-37.6179.6167.7-122.2000113.3G970 I971 D972 M977 I1260 V1264G970-F974 PolarHBondContact O-N 2.84Å; I971-F974 PolarHBondContact O-N 3.32Å; D972-F974 VanDerWaalsContact C-N 3.28Å; D972-F974 PolarHBondContact O-N 3.47Å; F974-M977 WeakPolarHBondContact O-CG 3.45Å; F974-I1260 HydrophobicContact CB-CD1 3.93Å; F974-I1260 HydrophobicContact CB-CG1 3.86Å; F974-I1260 HydrophobicContact CD2-CG1 3.71Å; F974-I1260 HydrophobicContact CG-CG1 4.21Å; F974-V1264 HydrophobicContact CB-CG2 4.37Å
975N87.9Confident90.9Very high74 Ų7422.7 Ų22.740%0.39613%0.125SC..Hα-helixtrans-73.3-39.6177.1-73-15.1000112.1I971 D972 Y1066I971-N975 PolarHBondContact O-N 2.82Å; D972-N975 PolarHBondContact O-N 3.25Å; N975-Y1066 WeakPolarHBondContact O-CE1 3.34Å
976R87.8Confident90.8Very high1 Ų129 Ų290%0.00415%0.152CC..Hα-helixtrans-80.5-52.4-172.2-69.1-175.767.4120.329.2113.6D972 I973 D978 A981 Y1066 D1070D972-R976 WeakPolarHBondContact O-CB 3.2Å; D972-R976 WeakPolarHBondContact O-CG 3.31Å; D972-R976 PolarHBondContact O-N 3.45Å; D972-R976 WeakPolarHBondContact OD2-CD 3.43Å; I973-R976 PolarHBondContact O-N 3.13Å; R976-D978 IonicContact CZ-OD1 3.69Å; R976-D978 IonicContact CZ-OD2 2.68Å; R976-D978 IonicContact NE-OD1 3.31Å; R976-D978 PolarHBondContact NE-OD1 3.07Å; R976-D978 IonicContact NE-OD2 2.72Å; R976-D978 PolarHBondContact NE-OD2 3.33Å; R976-D978 IonicContact NH2-OD1 3.44Å; R976-D978 IonicContact NH2-OD2 2.64Å; R976-D978 PolarHBondContact NH2-OD2 2.73Å; R976-D978 PolarHBondContact O-N 3.06Å; R976-A981 HydrophobicContact CB-CB 3.92Å; R976-Y1066 HydrophobicContact CG-CD1 4.24Å; R976-Y1066 HydrophobicContact CG-CG 4.35Å; R976-D1070 IonicContact CZ-OD1 3.84Å; R976-D1070 IonicContact CZ-OD2 3.73Å; R976-D1070 IonicContact NH1-OD1 2.78Å; R976-D1070 PolarHBondContact NH1-OD1 3.48Å; R976-D1070 IonicContact NH1-OD2 2.7Å; R976-D1070 PolarHBondContact NH1-OD2 2.84Å
977M87.3Confident90.9Very high10 Ų1030.6 Ų30.65%0.04916%0.157CC..  trans48.128.4-176.6-58.7-70-81.700115I973 F974 V1199 Q1202 I1260I973-M977 PolarHBondContact O-N 3.37Å; F974-M977 WeakPolarHBondContact O-CG 3.45Å; M977-V1199 HydrophobicContact CE-CG2 4.42Å; M977-V1199 HydrophobicContact SD-CG2 3.88Å; M977-Q1202 HydrophobicContact CE-CG 3.84Å; M977-I1260 HydrophobicContact CE-CG1 4.33Å; M977-I1260 HydrophobicContact CE-CG2 3.94Å; M977-I1260 HydrophobicContact SD-CD1 3.81Å; M977-I1260 HydrophobicContact SD-CG1 3.84Å; M977-I1260 HydrophobicContact SD-CG2 4.35Å
978D87.3Confident90.9Very high2 Ų229.3 Ų29.31%0.01115%0.151CC..SBendtrans-110.6-173.4-175.368-3.6000112.3R976 L980 A981 A982R976-D978 IonicContact CZ-OD1 3.69Å; R976-D978 IonicContact CZ-OD2 2.68Å; R976-D978 IonicContact NE-OD1 3.31Å; R976-D978 PolarHBondContact NE-OD1 3.07Å; R976-D978 IonicContact NE-OD2 2.72Å; R976-D978 PolarHBondContact NE-OD2 3.33Å; R976-D978 IonicContact NH2-OD1 3.44Å; R976-D978 IonicContact NH2-OD2 2.64Å; R976-D978 PolarHBondContact NH2-OD2 2.73Å; R976-D978 PolarHBondContact O-N 3.06Å; D978-L980 VanDerWaalsContact C-N 3.26Å; D978-L980 PolarHBondContact O-N 3.22Å; D978-L980 PolarHBondContact OD1-N 3.13Å; D978-A981 WeakPolarHBondContact O-CB 3.16Å; D978-A981 PolarHBondContact O-N 3.42Å; D978-A981 WeakPolarHBondContact OD1-CB 3.45Å; D978-A981 PolarHBondContact OD1-N 3.32Å; D978-A982 PolarHBondContact O-N 3.33Å
979A88Confident90.9Very high21 Ų2130.4 Ų30.417%0.17416%0.156CC..Hα-helixtrans-62.4-31.5176.500000113.1A982 I983 L1052 L1053A979-A982 WeakPolarHBondContact O-CB 3.46Å; A979-A982 PolarHBondContact O-N 2.88Å; A979-I983 PolarHBondContact O-N 3.44Å; A979-L1052 VanDerWaalsContact CB-O 3.25Å; A979-L1052 WeakPolarHBondContact CB-O 3.24Å; A979-L1052 PolarHBondContact N-O 3.27Å; A979-L1053 HydrophobicContact CB-CD2 4.19Å
980L89.6Confident90.8Very high26 Ų2632 Ų3214%0.13616%0.164CC..Hα-helixtrans-72.7-35.9175.4-76.2168.1000111.1D978 A982 I983 Q984 L1013 N1054D978-L980 VanDerWaalsContact C-N 3.26Å; D978-L980 PolarHBondContact O-N 3.22Å; D978-L980 PolarHBondContact OD1-N 3.13Å; L980-A982 VanDerWaalsContact C-N 3.31Å; L980-A982 PolarHBondContact O-N 3.15Å; L980-I983 HydrophobicContact CD2-CD1 4.37Å; L980-I983 CarbonylContact O-C 3.56Å; L980-I983 WeakPolarHBondContact O-CB 3.46Å; L980-I983 PolarHBondContact O-N 3.25Å; L980-I983 VanDerWaalsContact O-N 3.12Å; L980-Q984 WeakPolarHBondContact O-CG 3.39Å; L980-Q984 PolarHBondContact O-N 3.26Å; L980-L1013 HydrophobicContact CD1-CD1 4.3Å; L980-L1013 HydrophobicContact CD2-CD1 3.97Å; L980-L1013 HydrophobicContact CD2-CD2 4.47Å; L980-N1054 HydrophobicContact CD1-CB 4.25Å
981A90.4Very high90.8Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-60.3-39.5169.700000111.7I973 R976 D978 I983 Q984 C985 V1199I973-A981 HydrophobicContact CB-CB 4.5Å; I973-A981 HydrophobicContact CG2-CB 4.26Å; R976-A981 HydrophobicContact CB-CB 3.92Å; D978-A981 WeakPolarHBondContact O-CB 3.16Å; D978-A981 PolarHBondContact O-N 3.42Å; D978-A981 WeakPolarHBondContact OD1-CB 3.45Å; D978-A981 PolarHBondContact OD1-N 3.32Å; A981-I983 VanDerWaalsContact C-N 3.32Å; A981-I983 PolarHBondContact O-N 2.95Å; A981-Q984 CarbonylContact O-C 3.6Å; A981-Q984 PolarHBondContact O-N 3.45Å; A981-C985 PolarHBondContact O-N 3.37Å; A981-C985 PolarHBondContact O-SG 2.92Å; A981-V1199 HydrophobicContact CB-CG1 4.27Å
982A90.1Very high90.7Very high28 Ų2829.2 Ų29.223%0.23115%0.153CC..Hα-helixtrans-62.7-37173.500000112.4D978 A979 L980 C985 F986 V1199D978-A982 PolarHBondContact O-N 3.33Å; A979-A982 WeakPolarHBondContact O-CB 3.46Å; A979-A982 PolarHBondContact O-N 2.88Å; L980-A982 VanDerWaalsContact C-N 3.31Å; L980-A982 PolarHBondContact O-N 3.15Å; A982-C985 WeakPolarHBondContact O-CB 3.48Å; A982-C985 PolarHBondContact O-N 2.97Å; A982-F986 PolarHBondContact O-N 3.09Å; A982-V1199 HydrophobicContact CB-CG1 4.06Å
983I91.2Very high90.5Very high82 Ų8234 Ų3442%0.42118%0.178SC..Hα-helixtrans-69.4-38.5172.7-65.7169.9000111.1A979 L980 A981 C985 F986 W987A979-I983 PolarHBondContact O-N 3.44Å; L980-I983 HydrophobicContact CD2-CD1 4.37Å; L980-I983 CarbonylContact O-C 3.56Å; L980-I983 WeakPolarHBondContact O-CB 3.46Å; L980-I983 PolarHBondContact O-N 3.25Å; L980-I983 VanDerWaalsContact O-N 3.12Å; A981-I983 VanDerWaalsContact C-N 3.32Å; A981-I983 PolarHBondContact O-N 2.95Å; I983-C985 VanDerWaalsContact C-N 3.35Å; I983-F986 WeakPolarHBondContact O-CB 3.5Å; I983-F986 PolarHBondContact O-N 3.23Å; I983-W987 PolarHBondContact O-N 3.1Å
984Q91.9Very high90.1Very high1 Ų137.6 Ų37.61%0.00520%0.197CC..Hα-helixtrans-65.7-34.2173.5-65-66.219.700112.5I969 I973 L980 A981 F986 W987 L988 Y1006 M1010I969-Q984 HydrophobicContact CG2-CB 4.26Å; I973-Q984 HydrophobicContact CD1-CB 4.01Å; I973-Q984 HydrophobicContact CG1-CB 3.65Å; L980-Q984 WeakPolarHBondContact O-CG 3.39Å; L980-Q984 PolarHBondContact O-N 3.26Å; A981-Q984 CarbonylContact O-C 3.6Å; A981-Q984 PolarHBondContact O-N 3.45Å; Q984-F986 VanDerWaalsContact C-N 3.29Å; Q984-F986 PolarHBondContact O-N 3.37Å; Q984-W987 PolarHBondContact O-N 2.76Å; Q984-L988 WeakPolarHBondContact O-CB 3.25Å; Q984-L988 PolarHBondContact O-N 2.91Å; Q984-Y1006 PolarHBondContact OE1-OH 3.48Å; Q984-M1010 PolarHBondContact NE2-SD 3.49Å
985C92.6Very high89.7Confident2 Ų242 Ų421%0.01422%0.216CC..Hα-helixtrans-57.2-42.5171-72.60000111.4I973 A981 A982 I983 L988 V989 T1196I973-C985 VanDerWaalsContact CG2-SG 3.55Å; A981-C985 PolarHBondContact O-N 3.37Å; A981-C985 PolarHBondContact O-SG 2.92Å; A982-C985 WeakPolarHBondContact O-CB 3.48Å; A982-C985 PolarHBondContact O-N 2.97Å; I983-C985 VanDerWaalsContact C-N 3.35Å; C985-L988 PolarHBondContact O-N 3.42Å; C985-V989 VanDerWaalsContact O-CG2 3.29Å; C985-V989 WeakPolarHBondContact O-CG2 3.49Å; C985-V989 PolarHBondContact O-N 3.19Å; C985-T1196 HydrophobicContact CB-CG2 4.4Å
986F92.3Very high89.6Confident137 Ų13740 Ų4060%0.60120%0.203SC*.Hα-helixtrans-62.2-43.9176.4-179.7-96.6000112.1A982 I983 Q984 V989 L990A982-F986 PolarHBondContact O-N 3.09Å; I983-F986 WeakPolarHBondContact O-CB 3.5Å; I983-F986 PolarHBondContact O-N 3.23Å; Q984-F986 VanDerWaalsContact C-N 3.29Å; Q984-F986 PolarHBondContact O-N 3.37Å; F986-V989 PolarHBondContact O-N 3.4Å; F986-L990 HydrophobicContact CE1-CD1 4.17Å; F986-L990 HydrophobicContact CZ-CD1 4.47Å; F986-L990 WeakPolarHBondContact O-CB 3.44Å; F986-L990 PolarHBondContact O-N 3.34Å
987W93Very high89.5Confident48 Ų4843.3 Ų43.318%0.18222%0.223CC..Hα-helixtrans-61.9-42.9173.3-73.3117.4000112.4I983 Q984 L990 F991 I1002 Y1006 Y1009I983-W987 PolarHBondContact O-N 3.1Å; Q984-W987 PolarHBondContact O-N 2.76Å; W987-L990 PolarHBondContact O-N 3.49Å; W987-F991 HydrophobicContact CB-CE2 3.98Å; W987-F991 HydrophobicContact CB-CZ 4.33Å; W987-F991 HydrophobicContact CD2-CZ 4.39Å; W987-F991 HydrophobicContact CE3-CE1 4.03Å; W987-F991 AromaticContact CE3-CZ 3.74Å; W987-F991 HydrophobicContact CE3-CZ 3.74Å; W987-F991 HydrophobicContact CZ3-CZ 4.47Å; W987-F991 WeakPolarHBondContact O-CD2 3.38Å; W987-F991 WeakPolarHBondContact O-CG 3.15Å; W987-F991 PolarHBondContact O-N 2.96Å; W987-I1002 HydrophobicContact CH2-CG2 4.48Å; W987-I1002 HydrophobicContact CZ3-CG2 3.72Å; W987-Y1006 HydrophobicContact CB-CD2 4.46Å; W987-Y1006 HydrophobicContact CB-CE2 4.18Å; W987-Y1006 AromaticContact CD2-CD2 3.95Å; W987-Y1006 HydrophobicContact CD2-CD2 3.95Å; W987-Y1006 HydrophobicContact CD2-CE2 4.41Å; W987-Y1006 HydrophobicContact CE3-CD2 4.36Å; W987-Y1006 AromaticContact CG-CD2 3.99Å; W987-Y1006 HydrophobicContact CG-CD2 3.99Å; W987-Y1006 AromaticContact CG-CE2 3.96Å; W987-Y1006 HydrophobicContact CG-CE2 3.96Å; W987-Y1009 AromaticContact NE1-CE1 3.92Å
988L93.6Very high89.6Confident2 Ų247.3 Ų47.31%0.0124%0.24CC..Hα-helixtrans-62-45.4178.2-177.361.1000112.1M966 I969 I973 Q984 C985 L990 F991 A992 L1192 L1267M966-L988 HydrophobicContact CB-CD1 4.02Å; M966-L988 HydrophobicContact CG-CD1 4.42Å; M966-L988 WeakPolarHBondContact O-CD1 3.17Å; I969-L988 HydrophobicContact CG2-CB 4.03Å; I969-L988 HydrophobicContact CG2-CD1 4.36Å; I973-L988 HydrophobicContact CD1-CB 4.31Å; I973-L988 HydrophobicContact CD1-CD2 3.78Å; Q984-L988 WeakPolarHBondContact O-CB 3.25Å; Q984-L988 PolarHBondContact O-N 2.91Å; C985-L988 PolarHBondContact O-N 3.42Å; L988-L990 VanDerWaalsContact C-N 3.34Å; L988-F991 PolarHBondContact O-N 2.98Å; L988-A992 VanDerWaalsContact O-CB 3.27Å; L988-A992 WeakPolarHBondContact O-CB 3.47Å; L988-A992 PolarHBondContact O-N 3.41Å; L988-L1192 HydrophobicContact CD2-CD2 4.29Å; L988-L1192 HydrophobicContact CG-CD2 4.06Å; L988-L1267 HydrophobicContact CD2-CD2 3.94Å
989V92.4Very high89.7Confident40 Ų4047.3 Ų47.324%0.24224%0.24CC..Hα-helixtrans-59.9-45173.8170.60000110.7C985 F986 F991 A992 L993 L1192C985-V989 VanDerWaalsContact O-CG2 3.29Å; C985-V989 WeakPolarHBondContact O-CG2 3.49Å; C985-V989 PolarHBondContact O-N 3.19Å; F986-V989 PolarHBondContact O-N 3.4Å; V989-F991 VanDerWaalsContact C-N 3.34Å; V989-F991 PolarHBondContact O-N 3.05Å; V989-A992 PolarHBondContact O-N 2.86Å; V989-L993 HydrophobicContact CG1-CD1 3.78Å; V989-L993 HydrophobicContact CG1-CG 4.46Å; V989-L993 WeakPolarHBondContact O-CB 3.21Å; V989-L993 WeakPolarHBondContact O-CG 3.34Å; V989-L993 PolarHBondContact O-N 3.17Å; V989-L993 VanDerWaalsContact O-N 3.16Å; V989-L1192 HydrophobicContact CG2-CB 4.24Å; V989-L1192 HydrophobicContact CG2-CD2 4.43Å
990L91.9Very high89.8Confident35 Ų3549.3 Ų49.318%0.18324%0.243CC..Hα-helixtrans-64-36.1178.8-173.1150.1000112.3F986 W987 L988 N994 F998 I1002F986-L990 HydrophobicContact CE1-CD1 4.17Å; F986-L990 HydrophobicContact CZ-CD1 4.47Å; F986-L990 WeakPolarHBondContact O-CB 3.44Å; F986-L990 PolarHBondContact O-N 3.34Å; W987-L990 PolarHBondContact O-N 3.49Å; L988-L990 VanDerWaalsContact C-N 3.34Å; L990-N994 WeakPolarHBondContact O-CB 3.32Å; L990-N994 PolarHBondContact O-ND2 3.02Å; L990-F998 HydrophobicContact CD2-CE1 4.2Å; L990-I1002 HydrophobicContact CD2-CD1 4.08Å; L990-I1002 HydrophobicContact CD2-CG2 4.31Å
991F92Very high89.7Confident5 Ų557.2 Ų57.22%0.02227%0.271CS..Hα-helixtrans-77.6-41.2177.1-59.6-32.3000113M966 I969 W987 L988 V989 V999 I1002 W1003 Y1006M966-F991 HydrophobicContact CG-CB 4.29Å; M966-F991 HydrophobicContact SD-CB 4.05Å; I969-F991 HydrophobicContact CD1-CD2 4.09Å; I969-F991 HydrophobicContact CD1-CE2 4.01Å; W987-F991 HydrophobicContact CB-CE2 3.98Å; W987-F991 HydrophobicContact CB-CZ 4.33Å; W987-F991 HydrophobicContact CD2-CZ 4.39Å; W987-F991 HydrophobicContact CE3-CE1 4.03Å; W987-F991 AromaticContact CE3-CZ 3.74Å; W987-F991 HydrophobicContact CE3-CZ 3.74Å; W987-F991 HydrophobicContact CZ3-CZ 4.47Å; W987-F991 WeakPolarHBondContact O-CD2 3.38Å; W987-F991 WeakPolarHBondContact O-CG 3.15Å; W987-F991 PolarHBondContact O-N 2.96Å; L988-F991 PolarHBondContact O-N 2.98Å; V989-F991 VanDerWaalsContact C-N 3.34Å; V989-F991 PolarHBondContact O-N 3.05Å; F991-V999 HydrophobicContact CD1-CG1 3.84Å; F991-V999 HydrophobicContact CD1-CG2 4.39Å; F991-V999 HydrophobicContact CE1-CG1 4.43Å; F991-V999 HydrophobicContact CG-CG1 4.34Å; F991-I1002 HydrophobicContact CE1-CG2 4.21Å; F991-W1003 HydrophobicContact CD1-CZ3 4.4Å; F991-W1003 AromaticContact CD2-CZ3 3.88Å; F991-W1003 HydrophobicContact CD2-CZ3 3.88Å; F991-W1003 HydrophobicContact CE1-CE3 4.24Å; F991-W1003 HydrophobicContact CE1-CZ3 4.28Å; F991-W1003 HydrophobicContact CE2-CE3 4.38Å; F991-W1003 HydrophobicContact CE2-CH2 4.41Å; F991-W1003 AromaticContact CE2-CZ3 3.75Å; F991-W1003 HydrophobicContact CE2-CZ3 3.75Å; F991-W1003 HydrophobicContact CG-CZ3 4.23Å; F991-W1003 HydrophobicContact CZ-CE3 4.13Å; F991-W1003 AromaticContact CZ-CZ3 3.97Å; F991-W1003 HydrophobicContact CZ-CZ3 3.97Å; F991-Y1006 HydrophobicContact CE2-CD1 4.5Å; F991-Y1006 HydrophobicContact CE2-CD2 4.06Å; F991-Y1006 HydrophobicContact CE2-CE2 4.24Å; F991-Y1006 HydrophobicContact CE2-CG 4.2Å; F991-Y1006 HydrophobicContact CZ-CD1 4.49Å; F991-Y1006 AromaticContact CZ-CD2 3.88Å; F991-Y1006 HydrophobicContact CZ-CD2 3.88Å; F991-Y1006 AromaticContact CZ-CG 3.88Å; F991-Y1006 HydrophobicContact CZ-CG 3.88Å
992A89.7Confident89.8Confident22 Ų2258.8 Ų58.818%0.18228%0.28CS..Hα-helixtrans-75-31.4-173.700000114.1M966 L988 V989 L1192M966-A992 HydrophobicContact SD-CB 4.42Å; L988-A992 VanDerWaalsContact O-CB 3.27Å; L988-A992 WeakPolarHBondContact O-CB 3.47Å; L988-A992 PolarHBondContact O-N 3.41Å; V989-A992 PolarHBondContact O-N 2.86Å; A992-L1192 HydrophobicContact CB-CD1 3.73Å; A992-L1192 HydrophobicContact CB-CD2 4.35Å
993L87.6Confident89.9Confident104 Ų10457.5 Ų57.555%0.54527%0.269SS..SBendtrans-88.4-11.8-178.5-61.9-178.6000114.3V989 L1192V989-L993 HydrophobicContact CG1-CD1 3.78Å; V989-L993 HydrophobicContact CG1-CG 4.46Å; V989-L993 WeakPolarHBondContact O-CB 3.21Å; V989-L993 WeakPolarHBondContact O-CG 3.34Å; V989-L993 PolarHBondContact O-N 3.17Å; V989-L993 VanDerWaalsContact O-N 3.16Å; L993-L1192 HydrophobicContact CD2-CD1 3.99Å; L993-L1192 HydrophobicContact CG-CD1 4.2Å
994N86Confident89.9Confident74 Ų7456.3 Ų56.340%0.39627%0.265SS..SBendtrans-106158.9-173.5-77.5-59.3000114.1L990 F998 V999L990-N994 WeakPolarHBondContact O-CB 3.32Å; L990-N994 PolarHBondContact O-ND2 3.02Å; N994-F998 HydrophobicContact CB-CD1 3.64Å; N994-F998 HydrophobicContact CB-CE1 4.26Å; N994-F998 HydrophobicContact CB-CG 4.44Å; N994-V999 HydrophobicContact CB-CG2 4.43Å
995K81.6Confident90Very high168 Ų16862.9 Ų62.973%0.7329%0.294SS*.  trans-68.7144.3177.4-63.9-174.7179-175.20111.7V997 F998 V999K995-V997 PolarHBondContact O-N 3.45Å; K995-F998 WeakPolarHBondContact O-CB 3.36Å; K995-F998 PolarHBondContact O-N 3.31Å; K995-V999 PolarHBondContact O-N 3.15Å
996R85.9Confident90Very high31 Ų3162.8 Ų62.812%0.11729%0.293CS..Hα-helixtrans-46.9-38.6179.9-170179.9-176.5107.10.1114.3L962 F998 V999 R1000 E1087 N1091L962-R996 HydrophobicContact CD2-CG 4.18Å; R996-F998 VanDerWaalsContact C-N 3.34Å; R996-F998 PolarHBondContact O-N 3.28Å; R996-V999 PolarHBondContact O-N 2.9Å; R996-R1000 WeakPolarHBondContact O-CB 3.18Å; R996-R1000 PolarHBondContact O-N 3.46Å; R996-E1087 IonicContact CZ-OE1 3.25Å; R996-E1087 IonicContact CZ-OE2 2.64Å; R996-E1087 IonicContact NE-OE1 3.04Å; R996-E1087 PolarHBondContact NE-OE1 3.21Å; R996-E1087 IonicContact NE-OE2 2.74Å; R996-E1087 IonicContact NH2-OE1 2.69Å; R996-E1087 PolarHBondContact NH2-OE1 3.41Å; R996-E1087 IonicContact NH2-OE2 3.68Å; R996-E1087 PolarHBondContact NH2-OE2 3.4Å; R996-N1091 PolarHBondContact NH2-ND2 2.99Å
997V84.5Confident90Very high71 Ų7156.8 Ų56.843%0.4327%0.268SS..Hα-helixtrans-63.7-35.9178.6-178.40000112.7K995K995-V997 PolarHBondContact O-N 3.45Å
998F89.1Confident89.9Confident95 Ų9558.8 Ų58.842%0.41728%0.281SS..Hα-helixtrans-71.6-47.7176.7-178.8-103.2000110.8L990 N994 K995 R996 R1000 R1001 I1002L990-F998 HydrophobicContact CD2-CE1 4.2Å; N994-F998 HydrophobicContact CB-CD1 3.64Å; N994-F998 HydrophobicContact CB-CE1 4.26Å; N994-F998 HydrophobicContact CB-CG 4.44Å; K995-F998 WeakPolarHBondContact O-CB 3.36Å; K995-F998 PolarHBondContact O-N 3.31Å; R996-F998 VanDerWaalsContact C-N 3.34Å; R996-F998 PolarHBondContact O-N 3.28Å; F998-R1000 VanDerWaalsContact C-N 3.28Å; F998-R1000 PolarHBondContact O-N 3.3Å; F998-R1001 PolarHBondContact O-N 3.05Å; F998-R1001 VanDerWaalsContact O-N 3.08Å; F998-I1002 HydrophobicContact CD1-CD1 4Å; F998-I1002 HydrophobicContact CE1-CD1 3.38Å; F998-I1002 HydrophobicContact CE2-CD1 4Å; F998-I1002 HydrophobicContact CZ-CD1 3.38Å; F998-I1002 PolarHBondContact O-N 3.23Å
999V90.1Very high89.8Confident1 Ų161.5 Ų61.51%0.00629%0.292CS..Hα-helixtrans-56-42.8176.1-178.50000111.3L962 F991 N994 K995 R996 R1001 I1002 W1003L962-V999 HydrophobicContact CD1-CG1 3.88Å; F991-V999 HydrophobicContact CD1-CG1 3.84Å; F991-V999 HydrophobicContact CD1-CG2 4.39Å; F991-V999 HydrophobicContact CE1-CG1 4.43Å; F991-V999 HydrophobicContact CG-CG1 4.34Å; N994-V999 HydrophobicContact CB-CG2 4.43Å; K995-V999 PolarHBondContact O-N 3.15Å; R996-V999 PolarHBondContact O-N 2.9Å; V999-R1001 PolarHBondContact O-N 3.42Å; V999-I1002 PolarHBondContact O-N 3.11Å; V999-W1003 HydrophobicContact CG1-CE3 3.77Å; V999-W1003 HydrophobicContact CG1-CZ3 4.12Å; V999-W1003 WeakPolarHBondContact O-CB 3.26Å; V999-W1003 PolarHBondContact O-N 3.3Å
1000R89.6Confident89.8Confident63 Ų6359.6 Ų59.624%0.23828%0.28CS..Hα-helixtrans-54-36177.2-161.9-171.7-50.9-167.98.7113.3R996 F998 F1084 E1087 D1092R996-R1000 WeakPolarHBondContact O-CB 3.18Å; R996-R1000 PolarHBondContact O-N 3.46Å; F998-R1000 VanDerWaalsContact C-N 3.28Å; F998-R1000 PolarHBondContact O-N 3.3Å; R1000-F1084 HydrophobicContact CB-CD1 4.47Å; R1000-F1084 HydrophobicContact CB-CE1 4.48Å; R1000-F1084 HydrophobicContact CG-CB 4.05Å; R1000-F1084 HydrophobicContact CG-CD1 3.8Å; R1000-F1084 HydrophobicContact CG-CD2 4.45Å; R1000-F1084 HydrophobicContact CG-CE1 4.29Å; R1000-F1084 HydrophobicContact CG-CG 3.89Å; R1000-E1087 IonicContact CZ-OE1 2.65Å; R1000-E1087 IonicContact NH2-OE1 2.61Å; R1000-D1092 IonicContact NH2-OD1 2.98Å; R1000-D1092 PolarHBondContact NH2-OD1 3.11Å; R1000-D1092 IonicContact NH2-OD2 3.59Å
1001R89.1Confident89.8Confident192 Ų19258.9 Ų58.973%0.72528%0.279SS*.Hα-helixtrans-78.2-40.2179.7-66.4-179.4-177.9177.70.6112.2F998 V999F998-R1001 PolarHBondContact O-N 3.05Å; F998-R1001 VanDerWaalsContact O-N 3.08Å; V999-R1001 PolarHBondContact O-N 3.42Å
1002I91.7Very high89.8Confident34 Ų3463.7 Ų63.717%0.17430%0.304CS..Hα-helixtrans-76.9-25.5-177.3-69.2179.7000112.3W987 L990 F991 F998 V999 V1004 F1005 Y1006W987-I1002 HydrophobicContact CH2-CG2 4.48Å; W987-I1002 HydrophobicContact CZ3-CG2 3.72Å; L990-I1002 HydrophobicContact CD2-CD1 4.08Å; L990-I1002 HydrophobicContact CD2-CG2 4.31Å; F991-I1002 HydrophobicContact CE1-CG2 4.21Å; F998-I1002 HydrophobicContact CD1-CD1 4Å; F998-I1002 HydrophobicContact CE1-CD1 3.38Å; F998-I1002 HydrophobicContact CE2-CD1 4Å; F998-I1002 HydrophobicContact CZ-CD1 3.38Å; F998-I1002 PolarHBondContact O-N 3.23Å; V999-I1002 PolarHBondContact O-N 3.11Å; I1002-V1004 PolarHBondContact O-N 3.5Å; I1002-F1005 WeakPolarHBondContact O-CB 3.19Å; I1002-F1005 PolarHBondContact O-N 3.29Å; I1002-Y1006 PolarHBondContact O-N 3.22Å
1003W92.8Very high89.8Confident0 Ų063.6 Ų63.60%030%0.3CS..Hα-helixtrans-54.1-30.6-175.4-156-96.9000115.3L962 T965 F991 V999 F1005 Y1006 V1007 A1077 Q1080 F1084L962-W1003 HydrophobicContact CD1-CH2 4.36Å; L962-W1003 HydrophobicContact CD1-CZ3 3.98Å; T965-W1003 HydrophobicContact CG2-CH2 4.34Å; T965-W1003 HydrophobicContact CG2-CZ2 3.98Å; T965-W1003 VanDerWaalsContact OG1-CH2 3.25Å; T965-W1003 WeakPolarHBondContact OG1-CH2 3.02Å; F991-W1003 HydrophobicContact CD1-CZ3 4.4Å; F991-W1003 AromaticContact CD2-CZ3 3.88Å; F991-W1003 HydrophobicContact CD2-CZ3 3.88Å; F991-W1003 HydrophobicContact CE1-CE3 4.24Å; F991-W1003 HydrophobicContact CE1-CZ3 4.28Å; F991-W1003 HydrophobicContact CE2-CE3 4.38Å; F991-W1003 HydrophobicContact CE2-CH2 4.41Å; F991-W1003 AromaticContact CE2-CZ3 3.75Å; F991-W1003 HydrophobicContact CE2-CZ3 3.75Å; F991-W1003 HydrophobicContact CG-CZ3 4.23Å; F991-W1003 HydrophobicContact CZ-CE3 4.13Å; F991-W1003 AromaticContact CZ-CZ3 3.97Å; F991-W1003 HydrophobicContact CZ-CZ3 3.97Å; V999-W1003 HydrophobicContact CG1-CE3 3.77Å; V999-W1003 HydrophobicContact CG1-CZ3 4.12Å; V999-W1003 WeakPolarHBondContact O-CB 3.26Å; V999-W1003 PolarHBondContact O-N 3.3Å; W1003-F1005 VanDerWaalsContact C-N 3.35Å; W1003-Y1006 HydrophobicContact CZ2-CD1 4.49Å; W1003-Y1006 PolarHBondContact O-N 2.88Å; W1003-V1007 PolarHBondContact O-N 3.18Å; W1003-A1077 HydrophobicContact CZ2-CB 3.97Å; W1003-A1077 PolarHBondContact NE1-O 2.8Å; W1003-Q1080 HydrophobicContact CZ2-CB 4.11Å; W1003-Q1080 HydrophobicContact CZ2-CG 3.97Å; W1003-F1084 HydrophobicContact CB-CD2 4.08Å; W1003-F1084 HydrophobicContact CB-CE2 3.98Å; W1003-F1084 AromaticContact CD1-CD2 3.95Å; W1003-F1084 HydrophobicContact CD2-CD2 4.41Å; W1003-F1084 AromaticContact CD2-CE2 3.79Å; W1003-F1084 HydrophobicContact CD2-CE2 3.79Å; W1003-F1084 HydrophobicContact CE3-CE2 4.22Å; W1003-F1084 AromaticContact CG-CD2 3.86Å; W1003-F1084 HydrophobicContact CG-CD2 3.86Å; W1003-F1084 AromaticContact CG-CE2 3.66Å; W1003-F1084 HydrophobicContact CG-CE2 3.66Å
1004V90.7Very high90Very high58 Ų5858.7 Ų58.735%0.35228%0.275SS..Hα-helixtrans-63.3-42.2177.6-1780000111.1I1002 Y1006 V1007 I1008 L1081I1002-V1004 PolarHBondContact O-N 3.5Å; V1004-Y1006 VanDerWaalsContact C-N 3.34Å; V1004-V1007 PolarHBondContact O-N 2.88Å; V1004-I1008 HydrophobicContact CG1-CD1 4.08Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.46Å; V1004-I1008 PolarHBondContact O-N 3.3Å; V1004-I1008 VanDerWaalsContact O-N 3.14Å; V1004-L1081 HydrophobicContact CG2-CD1 3.91Å
1005F92.9Very high90.3Very high138 Ų13856 Ų5661%0.60526%0.261SS*.Hα-helixtrans-67.1-37.6177.7-57.3-67.3000111.4I1002 W1003 I1008 Y1009I1002-F1005 WeakPolarHBondContact O-CB 3.19Å; I1002-F1005 PolarHBondContact O-N 3.29Å; W1003-F1005 VanDerWaalsContact C-N 3.35Å; F1005-I1008 PolarHBondContact O-N 2.86Å; F1005-Y1009 WeakPolarHBondContact O-CB 3.23Å; F1005-Y1009 PolarHBondContact O-N 3.41Å
1006Y92.7Very high90.7Very high1 Ų152.5 Ų52.50%0.00425%0.25CC..Hα-helixtrans-63.6-41.4175.8-175.7-101.3000112.8I969 Q984 W987 F991 I1002 W1003 V1004 Y1009 M1010 V1073 A1077I969-Y1006 HydrophobicContact CD1-CE1 4.23Å; Q984-Y1006 PolarHBondContact OE1-OH 3.48Å; W987-Y1006 HydrophobicContact CB-CD2 4.46Å; W987-Y1006 HydrophobicContact CB-CE2 4.18Å; W987-Y1006 AromaticContact CD2-CD2 3.95Å; W987-Y1006 HydrophobicContact CD2-CD2 3.95Å; W987-Y1006 HydrophobicContact CD2-CE2 4.41Å; W987-Y1006 HydrophobicContact CE3-CD2 4.36Å; W987-Y1006 AromaticContact CG-CD2 3.99Å; W987-Y1006 HydrophobicContact CG-CD2 3.99Å; W987-Y1006 AromaticContact CG-CE2 3.96Å; W987-Y1006 HydrophobicContact CG-CE2 3.96Å; F991-Y1006 HydrophobicContact CE2-CD1 4.5Å; F991-Y1006 HydrophobicContact CE2-CD2 4.06Å; F991-Y1006 HydrophobicContact CE2-CE2 4.24Å; F991-Y1006 HydrophobicContact CE2-CG 4.2Å; F991-Y1006 HydrophobicContact CZ-CD1 4.49Å; F991-Y1006 AromaticContact CZ-CD2 3.88Å; F991-Y1006 HydrophobicContact CZ-CD2 3.88Å; F991-Y1006 AromaticContact CZ-CG 3.88Å; F991-Y1006 HydrophobicContact CZ-CG 3.88Å; I1002-Y1006 PolarHBondContact O-N 3.22Å; W1003-Y1006 HydrophobicContact CZ2-CD1 4.49Å; W1003-Y1006 PolarHBondContact O-N 2.88Å; V1004-Y1006 VanDerWaalsContact C-N 3.34Å; Y1006-Y1009 HydrophobicContact CD2-CD1 4.23Å; Y1006-Y1009 HydrophobicContact CE2-CD1 4.24Å; Y1006-Y1009 HydrophobicContact CE2-CE1 4.48Å; Y1006-Y1009 WeakPolarHBondContact O-CB 3.29Å; Y1006-Y1009 PolarHBondContact O-N 2.96Å; Y1006-M1010 HydrophobicContact CD1-CG 4.47Å; Y1006-M1010 HydrophobicContact CE1-CG 3.95Å; Y1006-M1010 HydrophobicContact CE2-CG 4.33Å; Y1006-M1010 PolarHBondContact O-N 3.43Å; Y1006-V1073 HydrophobicContact CE1-CG1 4.17Å; Y1006-V1073 WeakPolarHBondContact OH-CG1 3.18Å; Y1006-A1077 HydrophobicContact CD1-CB 4.13Å; Y1006-A1077 HydrophobicContact CE1-CB 4.01Å
1007V92.5Very high90.9Very high11 Ų1151.1 Ų51.17%0.06725%0.245CC..Hα-helixtrans-66.3-38.5175.6173.90000111.7W1003 V1004 A1011 A1077 L1081W1003-V1007 PolarHBondContact O-N 3.18Å; V1004-V1007 PolarHBondContact O-N 2.88Å; V1007-A1011 VanDerWaalsContact O-CB 3.25Å; V1007-A1011 WeakPolarHBondContact O-CB 3.1Å; V1007-A1011 PolarHBondContact O-N 3.34Å; V1007-A1077 HydrophobicContact CG2-CB 3.89Å; V1007-A1077 WeakPolarHBondContact CG2-O 3.36Å; V1007-L1081 HydrophobicContact CB-CD2 4.29Å; V1007-L1081 HydrophobicContact CG1-CD2 4.18Å; V1007-L1081 HydrophobicContact CG2-CB 4.25Å; V1007-L1081 HydrophobicContact CG2-CD2 4.22Å
1008I91.7Very high91.2Very high90 Ų9047.8 Ų47.846%0.46222%0.224SC..Hα-helixtrans-66.3-43.6175.4-67.6167.1000110.7V1004 F1005 A1011 I1012V1004-I1008 HydrophobicContact CG1-CD1 4.08Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.46Å; V1004-I1008 PolarHBondContact O-N 3.3Å; V1004-I1008 VanDerWaalsContact O-N 3.14Å; F1005-I1008 PolarHBondContact O-N 2.86Å; I1008-A1011 PolarHBondContact O-N 2.97Å; I1008-I1012 HydrophobicContact CG2-CD1 3.78Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.41Å; I1008-I1012 PolarHBondContact O-N 3.3Å
1009Y92.4Very high91.2Very high59 Ų5947.9 Ų47.923%0.23123%0.225CC..Hα-helixtrans-54-54.5174.1165.1-107.7000111.4W987 F1005 Y1006 A1011 I1012 L1013W987-Y1009 AromaticContact NE1-CE1 3.92Å; F1005-Y1009 WeakPolarHBondContact O-CB 3.23Å; F1005-Y1009 PolarHBondContact O-N 3.41Å; Y1006-Y1009 HydrophobicContact CD2-CD1 4.23Å; Y1006-Y1009 HydrophobicContact CE2-CD1 4.24Å; Y1006-Y1009 HydrophobicContact CE2-CE1 4.48Å; Y1006-Y1009 WeakPolarHBondContact O-CB 3.29Å; Y1006-Y1009 PolarHBondContact O-N 2.96Å; Y1009-A1011 VanDerWaalsContact C-N 3.34Å; Y1009-A1011 PolarHBondContact O-N 3.4Å; Y1009-I1012 PolarHBondContact O-N 3.05Å; Y1009-L1013 HydrophobicContact CE1-CD2 4.18Å; Y1009-L1013 HydrophobicContact CE2-CD2 4.48Å; Y1009-L1013 VanDerWaalsContact O-CB 3.27Å; Y1009-L1013 WeakPolarHBondContact O-CB 3.49Å; Y1009-L1013 PolarHBondContact O-N 2.89Å
1010M92.2Very high91.1Very high0 Ų049.3 Ų49.30%024%0.235CC..Hα-helixtrans-64-35.5178.6-67.7-56.6-60.900113.3Q984 Y1006 I1012 L1013 Y1014 D1070 V1073 L1074Q984-M1010 PolarHBondContact NE2-SD 3.49Å; Y1006-M1010 HydrophobicContact CD1-CG 4.47Å; Y1006-M1010 HydrophobicContact CE1-CG 3.95Å; Y1006-M1010 HydrophobicContact CE2-CG 4.33Å; Y1006-M1010 PolarHBondContact O-N 3.43Å; M1010-I1012 VanDerWaalsContact C-N 3.3Å; M1010-I1012 PolarHBondContact O-N 3.34Å; M1010-L1013 HydrophobicContact CE-CD2 4.37Å; M1010-L1013 PolarHBondContact O-N 3.48Å; M1010-L1013 HydrophobicContact SD-CD2 4.09Å; M1010-Y1014 WeakPolarHBondContact O-CB 3.46Å; M1010-Y1014 PolarHBondContact O-N 3.35Å; M1010-Y1014 VanDerWaalsContact O-N 3.09Å; M1010-D1070 HydrophobicContact CE-CB 4.03Å; M1010-V1073 HydrophobicContact CE-CB 4.18Å; M1010-V1073 HydrophobicContact CE-CG1 3.96Å; M1010-V1073 HydrophobicContact CG-CG1 4.4Å; M1010-V1073 HydrophobicContact SD-CG1 4.38Å; M1010-L1074 HydrophobicContact CB-CB 4.26Å; M1010-L1074 HydrophobicContact CB-CD1 3.9Å
1011A90.4Very high91Very high19 Ų1947 Ų4716%0.15723%0.226CC..Hα-helixtrans-69.8-25.5179.300000113.4V1007 I1008 Y1009 P1015 L1074V1007-A1011 VanDerWaalsContact O-CB 3.25Å; V1007-A1011 WeakPolarHBondContact O-CB 3.1Å; V1007-A1011 PolarHBondContact O-N 3.34Å; I1008-A1011 PolarHBondContact O-N 2.97Å; Y1009-A1011 VanDerWaalsContact C-N 3.34Å; Y1009-A1011 PolarHBondContact O-N 3.4Å; A1011-P1015 WeakPolarHBondContact O-CD 3.3Å; A1011-L1074 HydrophobicContact CB-CD1 4.05Å
1012I92Very high90.9Very high107 Ų10738.7 Ų38.755%0.54920%0.196SC..Hα-helixtrans-88.6-39.8173.4-64.9169.6000110.7I1008 Y1009 M1010 Y1014 P1015 L1016I1008-I1012 HydrophobicContact CG2-CD1 3.78Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.41Å; I1008-I1012 PolarHBondContact O-N 3.3Å; Y1009-I1012 PolarHBondContact O-N 3.05Å; M1010-I1012 VanDerWaalsContact C-N 3.3Å; M1010-I1012 PolarHBondContact O-N 3.34Å; I1012-Y1014 PolarHBondContact O-N 3.12Å; I1012-P1015 WeakPolarHBondContact O-CD 3.23Å; I1012-L1016 VanDerWaalsContact O-CB 3.31Å; I1012-L1016 WeakPolarHBondContact O-CB 3.3Å; I1012-L1016 PolarHBondContact O-N 3.13Å
1013L91.2Very high90.4Very high19 Ų1938 Ų3810%0.09920%0.198CC..Hα-helixtrans-60.2-46-179.9-175.869000111.7L980 Y1009 M1010 L1016 Q1017L980-L1013 HydrophobicContact CD1-CD1 4.3Å; L980-L1013 HydrophobicContact CD2-CD1 3.97Å; L980-L1013 HydrophobicContact CD2-CD2 4.47Å; Y1009-L1013 HydrophobicContact CE1-CD2 4.18Å; Y1009-L1013 HydrophobicContact CE2-CD2 4.48Å; Y1009-L1013 VanDerWaalsContact O-CB 3.27Å; Y1009-L1013 WeakPolarHBondContact O-CB 3.49Å; Y1009-L1013 PolarHBondContact O-N 2.89Å; M1010-L1013 HydrophobicContact CE-CD2 4.37Å; M1010-L1013 PolarHBondContact O-N 3.48Å; M1010-L1013 HydrophobicContact SD-CD2 4.09Å; L1013-L1016 PolarHBondContact O-N 3.39Å; L1013-L1016 VanDerWaalsContact O-N 3.13Å; L1013-Q1017 VanDerWaalsContact O-CB 3.29Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.33Å; L1013-Q1017 PolarHBondContact O-N 3.22Å
1014Y91.2Very high89.9Confident2 Ų241.9 Ų41.91%0.00822%0.218CC..Hα-helixtrans-60.3-48.5-174.9176.2-101.1000113.6V814 M1010 I1012 F1018 L1067 D1070 F1071V814-Y1014 HydrophobicContact CG1-CD1 4.15Å; V814-Y1014 HydrophobicContact CG1-CE1 3.88Å; M1010-Y1014 WeakPolarHBondContact O-CB 3.46Å; M1010-Y1014 PolarHBondContact O-N 3.35Å; M1010-Y1014 VanDerWaalsContact O-N 3.09Å; I1012-Y1014 PolarHBondContact O-N 3.12Å; Y1014-F1018 PolarHBondContact O-N 3.16Å; Y1014-L1067 HydrophobicContact CD2-CD2 4.25Å; Y1014-L1067 HydrophobicContact CE2-CB 4.3Å; Y1014-L1067 HydrophobicContact CE2-CD2 4.13Å; Y1014-L1067 WeakPolarHBondContact CE2-O 3.41Å; Y1014-D1070 HydrophobicContact CD2-CB 4.28Å; Y1014-F1071 HydrophobicContact CD2-CB 4.37Å; Y1014-F1071 HydrophobicContact CE1-CD2 4.41Å; Y1014-F1071 HydrophobicContact CE2-CB 3.84Å; Y1014-F1071 HydrophobicContact CE2-CD2 4.47Å
1015P91.1Very high89.2Confident17 Ų1740.3 Ų40.311%0.1121%0.209CC..Hα-helixtrans-61.8-42.5169.4-24.434.6000113.7V814 A1011 I1012 Q1017 F1018 F1019V814-P1015 HydrophobicContact CG1-CB 4.25Å; V814-P1015 HydrophobicContact CG1-CG 4.34Å; A1011-P1015 WeakPolarHBondContact O-CD 3.3Å; I1012-P1015 WeakPolarHBondContact O-CD 3.23Å; P1015-Q1017 VanDerWaalsContact C-N 3.34Å; P1015-Q1017 PolarHBondContact O-N 2.97Å; P1015-F1018 PolarHBondContact O-N 3.46Å; P1015-F1019 HydrophobicContact CB-CD2 4.48Å; P1015-F1019 HydrophobicContact CB-CE2 4.25Å; P1015-F1019 WeakPolarHBondContact O-CD2 3.39Å; P1015-F1019 PolarHBondContact O-N 3.39Å
1016L90.6Very high88.1Confident95 Ų9534.5 Ų34.550%0.49719%0.185SC..Hα-helixtrans-63-40-177.7-165.6159.2000112I1012 L1013 F1019 S1020I1012-L1016 VanDerWaalsContact O-CB 3.31Å; I1012-L1016 WeakPolarHBondContact O-CB 3.3Å; I1012-L1016 PolarHBondContact O-N 3.13Å; L1013-L1016 PolarHBondContact O-N 3.39Å; L1013-L1016 VanDerWaalsContact O-N 3.13Å; L1016-F1019 PolarHBondContact O-N 3.33Å; L1016-S1020 WeakPolarHBondContact O-CB 3.32Å; L1016-S1020 PolarHBondContact O-N 2.93Å; L1016-S1020 PolarHBondContact O-OG 3.19Å
1017Q90.6Very high86.8Confident1 Ų137.4 Ų37.41%0.00520%0.201CC..Hα-helixtrans-65.9-42.6174.6-171.5173.7-17.200111.3L1013 P1015 F1019 S1020 Y1021 L1067 D1070L1013-Q1017 VanDerWaalsContact O-CB 3.29Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.33Å; L1013-Q1017 PolarHBondContact O-N 3.22Å; P1015-Q1017 VanDerWaalsContact C-N 3.34Å; P1015-Q1017 PolarHBondContact O-N 2.97Å; Q1017-F1019 PolarHBondContact O-N 3.36Å; Q1017-S1020 WeakPolarHBondContact O-CB 3.4Å; Q1017-S1020 PolarHBondContact O-N 3.03Å; Q1017-Y1021 HydrophobicContact CG-CD1 4.49Å; Q1017-Y1021 HydrophobicContact CG-CE1 3.86Å; Q1017-Y1021 HydrophobicContact CG-CE2 4.17Å; Q1017-Y1021 PolarHBondContact NE2-OH 3.49Å; Q1017-Y1021 WeakPolarHBondContact O-CD1 3.38Å; Q1017-Y1021 PolarHBondContact O-N 3.23Å; Q1017-L1067 HydrophobicContact CB-CD2 4.29Å; Q1017-L1067 HydrophobicContact CG-CD2 3.99Å; Q1017-D1070 VanDerWaalsContact CD-OD2 3.29Å; Q1017-D1070 PolarHBondContact NE2-OD2 3.43Å; Q1017-D1070 PolarHBondContact OE1-OD2 3.15Å
1018F90.7Very high85.8Confident2 Ų240 Ų401%0.00922%0.219CC..Hα-helixtrans-62.2-42.4173.2-170-93.8000112.4I802 I806 I811 V814 Y1014 P1015 S1020 Y1021 V1022 L1067I802-F1018 HydrophobicContact CG2-CD2 4.04Å; I802-F1018 HydrophobicContact CG2-CE2 3.33Å; I802-F1018 HydrophobicContact CG2-CZ 3.62Å; I806-F1018 HydrophobicContact CB-CE2 4.44Å; I806-F1018 HydrophobicContact CG1-CE2 4.48Å; I806-F1018 HydrophobicContact CG2-CE2 4.08Å; I806-F1018 HydrophobicContact CG2-CZ 4.37Å; I811-F1018 HydrophobicContact CG1-CD1 4.25Å; I811-F1018 HydrophobicContact CG1-CE1 3.94Å; V814-F1018 HydrophobicContact CG1-CB 4.34Å; V814-F1018 HydrophobicContact CG2-CB 4.48Å; V814-F1018 HydrophobicContact CG2-CD1 3.73Å; V814-F1018 HydrophobicContact CG2-CD2 4.1Å; V814-F1018 HydrophobicContact CG2-CE1 3.92Å; V814-F1018 HydrophobicContact CG2-CE2 4.28Å; V814-F1018 HydrophobicContact CG2-CG 3.82Å; V814-F1018 HydrophobicContact CG2-CZ 4.19Å; Y1014-F1018 PolarHBondContact O-N 3.16Å; P1015-F1018 PolarHBondContact O-N 3.46Å; F1018-S1020 VanDerWaalsContact C-N 3.31Å; F1018-S1020 PolarHBondContact O-N 2.81Å; F1018-Y1021 PolarHBondContact O-N 2.74Å; F1018-V1022 HydrophobicContact CD1-CG2 4.06Å; F1018-V1022 HydrophobicContact CE1-CG2 3.67Å; F1018-V1022 HydrophobicContact CZ-CG2 4.07Å; F1018-V1022 WeakPolarHBondContact O-CG2 3.27Å; F1018-V1022 PolarHBondContact O-N 3.09Å; F1018-L1067 HydrophobicContact CB-CD2 4.49Å; F1018-L1067 HydrophobicContact CD2-CD1 3.93Å
1019F89.7Confident84.8Confident96 Ų9638.5 Ų38.542%0.42122%0.216SC..Hα-helixtrans-59.8-41.5173-74.7-62.1000112.3I811 I815 P1015 L1016 Q1017 Y1021 V1022 G1023I811-F1019 HydrophobicContact CB-CE1 4.38Å; I811-F1019 HydrophobicContact CD1-CD1 4.1Å; I811-F1019 HydrophobicContact CD1-CE1 3.96Å; I811-F1019 HydrophobicContact CG1-CD1 4.33Å; I811-F1019 HydrophobicContact CG1-CE1 4.07Å; I811-F1019 HydrophobicContact CG2-CD1 4.45Å; I811-F1019 HydrophobicContact CG2-CE1 3.43Å; I811-F1019 VanDerWaalsContact CG2-CE1 3.43Å; I811-F1019 HydrophobicContact CG2-CZ 3.78Å; I815-F1019 HydrophobicContact CD1-CZ 4.25Å; P1015-F1019 HydrophobicContact CB-CD2 4.48Å; P1015-F1019 HydrophobicContact CB-CE2 4.25Å; P1015-F1019 WeakPolarHBondContact O-CD2 3.39Å; P1015-F1019 PolarHBondContact O-N 3.39Å; L1016-F1019 PolarHBondContact O-N 3.33Å; Q1017-F1019 PolarHBondContact O-N 3.36Å; F1019-Y1021 VanDerWaalsContact C-N 3.33Å; F1019-Y1021 PolarHBondContact O-N 3.24Å; F1019-V1022 PolarHBondContact O-N 3.39Å; F1019-G1023 PolarHBondContact O-N 3.43Å; F1019-G1023 VanDerWaalsContact O-N 3.14Å
1020S86.4Confident84Confident31 Ų3140.4 Ų40.422%0.21723%0.23CC..Hα-helixtrans-65.1-37.4178-53.80000111.4L1016 Q1017 F1018 G1023 S1056L1016-S1020 WeakPolarHBondContact O-CB 3.32Å; L1016-S1020 PolarHBondContact O-N 2.93Å; L1016-S1020 PolarHBondContact O-OG 3.19Å; Q1017-S1020 WeakPolarHBondContact O-CB 3.4Å; Q1017-S1020 PolarHBondContact O-N 3.03Å; F1018-S1020 VanDerWaalsContact C-N 3.31Å; F1018-S1020 PolarHBondContact O-N 2.81Å; S1020-G1023 PolarHBondContact O-N 2.68Å; S1020-S1056 WeakPolarHBondContact O-CB 3.42Å
1021Y88.2Confident83Confident16 Ų1644.2 Ų44.26%0.06325%0.247CC..Hα-helixtrans-74.4-31.7179.2-66.30.9000113.4I806 Q1017 F1018 F1019 N1054 W1062 L1067I806-Y1021 HydrophobicContact CD1-CD2 4.31Å; Q1017-Y1021 HydrophobicContact CG-CD1 4.49Å; Q1017-Y1021 HydrophobicContact CG-CE1 3.86Å; Q1017-Y1021 HydrophobicContact CG-CE2 4.17Å; Q1017-Y1021 PolarHBondContact NE2-OH 3.49Å; Q1017-Y1021 WeakPolarHBondContact O-CD1 3.38Å; Q1017-Y1021 PolarHBondContact O-N 3.23Å; F1018-Y1021 PolarHBondContact O-N 2.74Å; F1019-Y1021 VanDerWaalsContact C-N 3.33Å; F1019-Y1021 PolarHBondContact O-N 3.24Å; Y1021-N1054 WeakPolarHBondContact CE1-OD1 3.22Å; Y1021-N1054 PolarHBondContact OH-OD1 3.37Å; Y1021-W1062 HydrophobicContact CD1-CB 4.21Å; Y1021-W1062 AromaticContact CD1-CD1 3.89Å; Y1021-W1062 AromaticContact CD1-CD2 3.52Å; Y1021-W1062 HydrophobicContact CD1-CD2 3.52Å; Y1021-W1062 AromaticContact CD1-CE2 3.84Å; Y1021-W1062 AromaticContact CD1-CE3 3.98Å; Y1021-W1062 HydrophobicContact CD1-CE3 3.98Å; Y1021-W1062 AromaticContact CD1-CG 3.6Å; Y1021-W1062 HydrophobicContact CD1-CG 3.6Å; Y1021-W1062 HydrophobicContact CD2-CB 3.48Å; Y1021-W1062 VanDerWaalsContact CD2-CB 3.48Å; Y1021-W1062 HydrophobicContact CD2-CD2 4.41Å; Y1021-W1062 AromaticContact CD2-CG 3.8Å; Y1021-W1062 HydrophobicContact CD2-CG 3.8Å; Y1021-W1062 HydrophobicContact CE1-CB 4.44Å; Y1021-W1062 AromaticContact CE1-CD2 3.59Å; Y1021-W1062 HydrophobicContact CE1-CD2 3.59Å; Y1021-W1062 AromaticContact CE1-CE3 3.52Å; Y1021-W1062 HydrophobicContact CE1-CE3 3.52Å; Y1021-W1062 HydrophobicContact CE1-CG 4Å; Y1021-W1062 HydrophobicContact CE1-CZ3 4.05Å; Y1021-W1062 HydrophobicContact CE2-CB 3.73Å; Y1021-W1062 HydrophobicContact CE2-CD2 4.45Å; Y1021-W1062 HydrophobicContact CE2-CE3 4.48Å; Y1021-W1062 HydrophobicContact CE2-CG 4.15Å; Y1021-W1062 HydrophobicContact CG-CB 3.75Å; Y1021-W1062 AromaticContact CG-CD1 3.73Å; Y1021-W1062 AromaticContact CG-CD2 3.98Å; Y1021-W1062 HydrophobicContact CG-CD2 3.98Å; Y1021-W1062 AromaticContact CG-CG 3.51Å; Y1021-W1062 HydrophobicContact CG-CG 3.51Å; Y1021-W1062 AromaticContact CZ-CE3 3.81Å; Y1021-L1067 HydrophobicContact CD2-CD1 3.76Å; Y1021-L1067 HydrophobicContact CD2-CD2 4.45Å; Y1021-L1067 HydrophobicContact CD2-CG 4.05Å; Y1021-L1067 HydrophobicContact CE2-CD1 4.02Å; Y1021-L1067 HydrophobicContact CE2-CD2 4.28Å; Y1021-L1067 HydrophobicContact CE2-CG 3.8Å
1022V86.6Confident82.5Confident16 Ų1644.2 Ų44.210%0.09724%0.243CC..Hα-helixtrans-70.3-34173.5171.80000111.8I806 A808 W879 F1018 F1019I806-V1022 HydrophobicContact CG2-CG2 3.79Å; A808-V1022 HydrophobicContact CB-CG1 4.17Å; W879-V1022 HydrophobicContact CZ2-CG1 3.99Å; W879-V1022 PolarHBondContact NE1-O 3.45Å; W879-V1022 VanDerWaalsContact NE1-O 3.09Å; F1018-V1022 HydrophobicContact CD1-CG2 4.06Å; F1018-V1022 HydrophobicContact CE1-CG2 3.67Å; F1018-V1022 HydrophobicContact CZ-CG2 4.07Å; F1018-V1022 WeakPolarHBondContact O-CG2 3.27Å; F1018-V1022 PolarHBondContact O-N 3.09Å; F1019-V1022 PolarHBondContact O-N 3.39Å
1023G82.5Confident82Confident19 Ų1942.8 Ų42.820%0.19624%0.241CC..  trans63.6-166.6176.200000115F1019 S1020 Y1032F1019-G1023 PolarHBondContact O-N 3.43Å; F1019-G1023 VanDerWaalsContact O-N 3.14Å; S1020-G1023 PolarHBondContact O-N 2.68Å; G1023-Y1032 VanDerWaalsContact CA-OH 3.3Å; G1023-Y1032 WeakPolarHBondContact CA-OH 3.29Å
1024L81.9Confident81.5Confident82 Ų8245 Ų4543%0.42925%0.248SC..SBendtrans-87151.3171.8-68.6173.2000110.6Y1032 Y1058L1024-Y1032 HydrophobicContact CB-CE1 4.17Å; L1024-Y1032 HydrophobicContact CD1-CD1 4.26Å; L1024-Y1032 HydrophobicContact CD1-CE1 3.91Å; L1024-Y1032 HydrophobicContact CG-CE1 3.98Å; L1024-Y1032 PolarHBondContact N-OH 2.85Å; L1024-Y1058 WeakPolarHBondContact CB-OH 3.48Å; L1024-Y1058 WeakPolarHBondContact O-CE1 3.38Å
1025P76.5Confident80.7Confident26 Ų2646.1 Ų46.117%0.16926%0.256CS..  trans-64.2124.1177.623.8-32.5000111.7W879 D1027 S1028W879-P1025 HydrophobicContact CD2-CB 3.95Å; W879-P1025 HydrophobicContact CE3-CB 4.2Å; W879-P1025 HydrophobicContact CG-CB 4.23Å; P1025-D1027 PolarHBondContact O-N 3.04Å; P1025-S1028 WeakPolarHBondContact O-CB 3.33Å; P1025-S1028 PolarHBondContact O-N 3.32Å; P1025-S1028 VanDerWaalsContact O-N 3.17Å; P1025-S1028 PolarHBondContact O-OG 3.31Å
1026P68.8Low80.1Confident16 Ų1652.3 Ų52.310%0.10428%0.278CS..G310 helixtrans-66.7-31-174.821.2-29.9000114.2I874 S1028 C1029 Y1058I874-P1026 HydrophobicContact CB-CG 3.93Å; I874-P1026 HydrophobicContact CG2-CG 4.34Å; I874-P1026 WeakPolarHBondContact O-CG 3.44Å; P1026-S1028 PolarHBondContact O-N 3.48Å; P1026-C1029 PolarHBondContact O-N 3.22Å; P1026-Y1058 HydrophobicContact CB-CD1 3.84Å; P1026-Y1058 HydrophobicContact CB-CE1 3.82Å
1027D66.7Low79.4Confident62 Ų6257.9 Ų57.933%0.33229%0.293SS..G310 helixtrans-56.2-12172.5-86.2-14000113.7R862 S875 M876 P1025R862-D1027 IonicContact CZ-OD1 3.46Å; R862-D1027 VanDerWaalsContact CZ-OD1 3.22Å; R862-D1027 IonicContact NE-OD1 2.71Å; R862-D1027 PolarHBondContact NE-OD1 3.48Å; R862-D1027 IonicContact NH2-OD1 3.24Å; R862-D1027 PolarHBondContact NH2-OD1 3.32Å; S875-D1027 WeakPolarHBondContact CA-OD2 3.25Å; M876-D1027 HydrophobicContact CB-CB 4.47Å; M876-D1027 WeakPolarHBondContact CB-OD2 3.36Å; M876-D1027 PolarHBondContact N-OD2 3.24Å; P1025-D1027 PolarHBondContact O-N 3.04Å
1028S70.5Confident78.5Confident64 Ų6458.8 Ų58.845%0.44830%0.298SS..G310 helixtrans-82.8-10.7174-57.20000114.5P1025 P1026 I1030P1025-S1028 WeakPolarHBondContact O-CB 3.33Å; P1025-S1028 PolarHBondContact O-N 3.32Å; P1025-S1028 VanDerWaalsContact O-N 3.17Å; P1025-S1028 PolarHBondContact O-OG 3.31Å; P1026-S1028 PolarHBondContact O-N 3.48Å; S1028-I1030 PolarHBondContact O-N 3.4Å
1029C71.6Confident77.2Confident60 Ų6063.4 Ų63.441%0.40533%0.327SS..  trans5330.5-178.2-61.20000115.5C869 P1026C869-C1029 HydrophobicContact CB-CB 4.07Å; C869-C1029 WeakPolarHBondContact CB-SG 3.11Å; C869-C1029 WeakPolarHBondContact SG-CB 3.36Å; C869-C1029 CovalentContact SG-SG 2.04Å; C869-C1029 PolarHBondContact SG-SG 3.45Å; P1026-C1029 PolarHBondContact O-N 3.22Å
1030I74.9Confident76.3Confident99 Ų9963.1 Ų63.151%0.50834%0.337SS..  trans-94.3109.2179.1-62.5167.9000109S1028 Y1058S1028-I1030 PolarHBondContact O-N 3.4Å; I1030-Y1058 VanDerWaalsContact O-CE2 3.29Å; I1030-Y1058 WeakPolarHBondContact O-CE2 3.27Å; I1030-Y1058 PolarHBondContact O-OH 3.32Å
1031E71.7Confident75.6Confident80 Ų8066 Ų6637%0.37434%0.344SS..  trans-62.5141.3170-78.3-169.8-14700112.1S1035 Y1036E1031-S1035 WeakPolarHBondContact OE2-CB 3.39Å; E1031-S1035 PolarHBondContact OE2-OG 3.36Å; E1031-Y1036 HydrophobicContact CB-CE2 3.96Å; E1031-Y1036 VanDerWaalsContact OE2-CZ 3.3Å; E1031-Y1036 PolarHBondContact OE2-OH 3.35Å
1032Y78.3Confident75Confident19 Ų1967.8 Ų67.88%0.07536%0.359CS..  trans-69.1142.4175.5-68.8-70.6000111.8G1023 L1024 W1034 S1035 S1056 Y1058G1023-Y1032 VanDerWaalsContact CA-OH 3.3Å; G1023-Y1032 WeakPolarHBondContact CA-OH 3.29Å; L1024-Y1032 HydrophobicContact CB-CE1 4.17Å; L1024-Y1032 HydrophobicContact CD1-CD1 4.26Å; L1024-Y1032 HydrophobicContact CD1-CE1 3.91Å; L1024-Y1032 HydrophobicContact CG-CE1 3.98Å; L1024-Y1032 PolarHBondContact N-OH 2.85Å; Y1032-W1034 VanDerWaalsContact CB-CZ2 3.47Å; Y1032-W1034 AromaticContact CD1-CH2 3.72Å; Y1032-W1034 HydrophobicContact CD1-CH2 3.72Å; Y1032-W1034 AromaticContact CD1-CZ2 3.46Å; Y1032-W1034 HydrophobicContact CD1-CZ2 3.46Å; Y1032-W1034 VanDerWaalsContact CD1-CZ2 3.46Å; Y1032-W1034 HydrophobicContact CD2-CZ2 4.12Å; Y1032-W1034 HydrophobicContact CE1-CH2 4.42Å; Y1032-W1034 HydrophobicContact CE1-CZ2 4.2Å; Y1032-W1034 AromaticContact CG-CE2 3.84Å; Y1032-W1034 HydrophobicContact CG-CH2 4.12Å; Y1032-W1034 AromaticContact CG-CZ2 3.43Å; Y1032-W1034 HydrophobicContact CG-CZ2 3.43Å; Y1032-W1034 VanDerWaalsContact CG-CZ2 3.43Å; Y1032-W1034 PolarHBondContact O-N 3.46Å; Y1032-S1035 WeakPolarHBondContact O-CB 3.41Å; Y1032-S1035 PolarHBondContact O-N 3.49Å; Y1032-S1035 PolarHBondContact O-OG 3.14Å; Y1032-S1035 VanDerWaalsContact O-OG 3.05Å; Y1032-S1056 VanDerWaalsContact CD2-O 3.32Å; Y1032-S1056 WeakPolarHBondContact CD2-O 3.26Å; Y1032-S1056 WeakPolarHBondContact CE1-OG 3.3Å; Y1032-S1056 VanDerWaalsContact CZ-OG 3.22Å; Y1032-Y1058 AromaticContact CD2-CD2 3.77Å; Y1032-Y1058 HydrophobicContact CD2-CD2 3.77Å; Y1032-Y1058 AromaticContact CD2-CE2 3.57Å; Y1032-Y1058 HydrophobicContact CD2-CE2 3.57Å; Y1032-Y1058 HydrophobicContact CE2-CD1 4.2Å; Y1032-Y1058 AromaticContact CE2-CD2 3.51Å; Y1032-Y1058 HydrophobicContact CE2-CD2 3.51Å; Y1032-Y1058 HydrophobicContact CE2-CE1 4.06Å; Y1032-Y1058 AromaticContact CE2-CE2 3.31Å; Y1032-Y1058 HydrophobicContact CE2-CE2 3.31Å; Y1032-Y1058 AromaticContact CE2-CG 3.95Å; Y1032-Y1058 HydrophobicContact CE2-CG 3.95Å; Y1032-Y1058 AromaticContact CE2-CZ 3.62Å; Y1032-Y1058 HydrophobicContact CG-CE2 4.39Å; Y1032-Y1058 AromaticContact CZ-CE2 3.97Å; Y1032-Y1058 AromaticContact CZ-CZ 3.81Å
1033P83Confident74.7Confident76 Ų7672.2 Ų72.249%0.49438%0.382SS..THydrogen-bonded Turntrans-54.8-29-174.3-28.535.4000115.9S1035 Y1036 W1037P1033-S1035 VanDerWaalsContact C-N 3.34Å; P1033-S1035 PolarHBondContact O-N 3.17Å; P1033-Y1036 PolarHBondContact O-N 3.02Å; P1033-W1037 VanDerWaalsContact O-CD1 3.28Å; P1033-W1037 PolarHBondContact O-N 3.13Å
1034W81Confident74.6Confident66 Ų6673.3 Ų73.325%0.2538%0.383CS..Hα-helixtrans-76.6-11.317947.881.5000114.8Y1032 Y1036 W1037 I1038 L1055 S1056Y1032-W1034 VanDerWaalsContact CB-CZ2 3.47Å; Y1032-W1034 AromaticContact CD1-CH2 3.72Å; Y1032-W1034 HydrophobicContact CD1-CH2 3.72Å; Y1032-W1034 AromaticContact CD1-CZ2 3.46Å; Y1032-W1034 HydrophobicContact CD1-CZ2 3.46Å; Y1032-W1034 VanDerWaalsContact CD1-CZ2 3.46Å; Y1032-W1034 HydrophobicContact CD2-CZ2 4.12Å; Y1032-W1034 HydrophobicContact CE1-CH2 4.42Å; Y1032-W1034 HydrophobicContact CE1-CZ2 4.2Å; Y1032-W1034 AromaticContact CG-CE2 3.84Å; Y1032-W1034 HydrophobicContact CG-CH2 4.12Å; Y1032-W1034 AromaticContact CG-CZ2 3.43Å; Y1032-W1034 HydrophobicContact CG-CZ2 3.43Å; Y1032-W1034 VanDerWaalsContact CG-CZ2 3.43Å; Y1032-W1034 PolarHBondContact O-N 3.46Å; W1034-Y1036 PolarHBondContact O-N 3.47Å; W1034-W1037 PolarHBondContact O-N 3.48Å; W1034-I1038 HydrophobicContact CB-CD1 4.36Å; W1034-I1038 PolarHBondContact O-N 3.47Å; W1034-L1055 HydrophobicContact CB-CD1 4.17Å; W1034-L1055 HydrophobicContact CD2-CB 4.15Å; W1034-L1055 HydrophobicContact CD2-CD1 4.15Å; W1034-L1055 HydrophobicContact CD2-CD2 4.3Å; W1034-L1055 HydrophobicContact CD2-CG 4.44Å; W1034-L1055 HydrophobicContact CE3-CD2 4.14Å; W1034-L1055 HydrophobicContact CG-CB 4.46Å; W1034-L1055 HydrophobicContact CG-CD1 3.92Å; W1034-L1055 HydrophobicContact CZ2-CB 4.21Å; W1034-L1055 HydrophobicContact CZ3-CD2 4.36Å; W1034-S1056 WeakPolarHBondContact CH2-OG 3.36Å; W1034-S1056 WeakPolarHBondContact CZ2-O 3.32Å; W1034-S1056 WeakPolarHBondContact CZ2-OG 3.45Å; W1034-S1056 PolarHBondContact NE1-O 2.96Å
1035S74.5Confident74.5Confident25 Ų2569.6 Ų69.618%0.17536%0.364CS..Hα-helixtrans-58.6-37.2170.268.70000110.9E1031 Y1032 P1033 R1046E1031-S1035 WeakPolarHBondContact OE2-CB 3.39Å; E1031-S1035 PolarHBondContact OE2-OG 3.36Å; Y1032-S1035 WeakPolarHBondContact O-CB 3.41Å; Y1032-S1035 PolarHBondContact O-N 3.49Å; Y1032-S1035 PolarHBondContact O-OG 3.14Å; Y1032-S1035 VanDerWaalsContact O-OG 3.05Å; P1033-S1035 VanDerWaalsContact C-N 3.34Å; P1033-S1035 PolarHBondContact O-N 3.17Å; S1035-R1046 PolarHBondContact O-NH1 3.14Å; S1035-R1046 VanDerWaalsContact O-NH1 3.07Å
1036Y77.9Confident74.8Confident147 Ų14772.2 Ų72.258%0.57637%0.371SS*.Hα-helixtrans-85.3-29.1178.1-56.9-75.8000114.4E1031 P1033 W1034 I1038 P1039E1031-Y1036 HydrophobicContact CB-CE2 3.96Å; E1031-Y1036 VanDerWaalsContact OE2-CZ 3.3Å; E1031-Y1036 PolarHBondContact OE2-OH 3.35Å; P1033-Y1036 PolarHBondContact O-N 3.02Å; W1034-Y1036 PolarHBondContact O-N 3.47Å; Y1036-I1038 VanDerWaalsContact C-N 3.33Å; Y1036-P1039 WeakPolarHBondContact O-CD 3.42Å
1037W74.5Confident75.6Confident213 Ų21373.4 Ų73.481%0.80737%0.374SS*.Hα-helixtrans-79.3-14.9-177-68.813.6000113.5P1033 W1034 P1039P1033-W1037 VanDerWaalsContact O-CD1 3.28Å; P1033-W1037 PolarHBondContact O-N 3.13Å; W1034-W1037 PolarHBondContact O-N 3.48Å; W1037-P1039 WeakPolarHBondContact O-CD 3.26Å
1038I72.2Confident76.6Confident20 Ų2070.5 Ų70.510%0.10336%0.359CS..  trans-119.555.7-178-46.6176.8000111.1W1034 Y1036 Y1041 R1046 L1049W1034-I1038 HydrophobicContact CB-CD1 4.36Å; W1034-I1038 PolarHBondContact O-N 3.47Å; Y1036-I1038 VanDerWaalsContact C-N 3.33Å; I1038-Y1041 HydrophobicContact CG2-CD2 3.93Å; I1038-Y1041 HydrophobicContact CG2-CE2 4.41Å; I1038-R1046 HydrophobicContact CB-CG 4.33Å; I1038-R1046 HydrophobicContact CG2-CG 4.18Å; I1038-R1046 WeakPolarHBondContact O-CD 3.46Å; I1038-L1049 HydrophobicContact CD1-CD2 4.43Å; I1038-L1049 HydrophobicContact CG2-CD2 3.8Å
1039P62.7Low77.4Confident98 Ų9868.7 Ų68.764%0.63634%0.344SS*.  trans-88.7-6.1-171.537.4-37.3000114.6Y1036 W1037 Y1041Y1036-P1039 WeakPolarHBondContact O-CD 3.42Å; W1037-P1039 WeakPolarHBondContact O-CD 3.26Å; P1039-Y1041 PolarHBondContact O-N 2.92Å
1040S71.2Confident78.1Confident90 Ų9066.3 Ų66.363%0.62933%0.328SS*.SBendtrans-91.511.2-16865.40000115.6
1041Y73.2Confident78.7Confident93 Ų9361.7 Ų61.737%0.36531%0.305SS..SBendtrans-131.3157.3-174.1-59.1-76.9000110.4I1038 P1039 L1049 F1208I1038-Y1041 HydrophobicContact CG2-CD2 3.93Å; I1038-Y1041 HydrophobicContact CG2-CE2 4.41Å; P1039-Y1041 PolarHBondContact O-N 2.92Å; Y1041-L1049 HydrophobicContact CE2-CD2 4.49Å; Y1041-F1208 HydrophobicContact CE1-CD1 4.42Å; Y1041-F1208 AromaticContact CE1-CE1 3.79Å; Y1041-F1208 HydrophobicContact CE1-CE1 3.79Å; Y1041-F1208 HydrophobicContact CE1-CZ 4.47Å; Y1041-F1208 AromaticContact CZ-CE1 3.96Å
1042S75.2Confident79.4Confident52 Ų5258 Ų5836%0.36429%0.287SS..  trans-59.6155.7172.456.10000111.1D1044 A1045 R1046S1042-D1044 VanDerWaalsContact C-N 3.3Å; S1042-D1044 PolarHBondContact O-N 2.83Å; S1042-A1045 CarbonylContact O-C 3.24Å; S1042-A1045 WeakPolarHBondContact O-CA 3.33Å; S1042-A1045 PolarHBondContact O-N 2.83Å; S1042-A1045 WeakPolarHBondContact OG-CB 3.41Å; S1042-R1046 WeakPolarHBondContact O-CB 3.41Å; S1042-R1046 PolarHBondContact O-N 2.85Å
1043D79Confident79.8Confident110 Ų11060.9 Ų60.959%0.58830%0.303SS*.Hα-helixtrans-57.3-41.2-174.3-75.3-50.3000113.2R1046 F1047D1043-R1046 PolarHBondContact O-N 3.15Å; D1043-R1046 IonicContact OD1-CZ 3.37Å; D1043-R1046 IonicContact OD1-NE 2.82Å; D1043-R1046 IonicContact OD1-NH2 3.64Å; D1043-R1046 PolarHBondContact OD1-NH2 2.87Å; D1043-F1047 WeakPolarHBondContact O-CB 3.47Å; D1043-F1047 PolarHBondContact O-N 3.17Å
1044D80.6Confident80Confident41 Ų4158 Ų5822%0.21928%0.284CS..Hα-helixtrans-63.5-39.3174.4-69.6-38.3000112.1S1042 F1047 N1048 H1239 L1241S1042-D1044 VanDerWaalsContact C-N 3.3Å; S1042-D1044 PolarHBondContact O-N 2.83Å; D1044-F1047 PolarHBondContact O-N 3.48Å; D1044-N1048 WeakPolarHBondContact O-CB 3.09Å; D1044-N1048 PolarHBondContact O-N 3.49Å; D1044-N1048 PolarHBondContact O-OD1 3.07Å; D1044-H1239 HydrophobicContact CB-CB 4.03Å; D1044-H1239 IonicContact OD1-CE1 3.66Å; D1044-H1239 IonicContact OD1-CG 2.9Å; D1044-H1239 IonicContact OD1-ND1 2.57Å; D1044-H1239 PolarHBondContact OD1-ND1 2.93Å; D1044-L1241 HydrophobicContact CB-CD2 4.01Å
1045A80Confident80.1Confident4 Ų457 Ų573%0.03328%0.284CS..Hα-helixtrans-72.1-36.2177.200000112.4S1042 N1048 L1049 L1241S1042-A1045 CarbonylContact O-C 3.24Å; S1042-A1045 WeakPolarHBondContact O-CA 3.33Å; S1042-A1045 PolarHBondContact O-N 2.83Å; S1042-A1045 WeakPolarHBondContact OG-CB 3.41Å; A1045-N1048 PolarHBondContact O-N 3.3Å; A1045-L1049 WeakPolarHBondContact O-CB 3.37Å; A1045-L1049 PolarHBondContact O-N 3.08Å; A1045-L1241 HydrophobicContact CB-CD2 4Å
1046R83.7Confident80.6Confident82 Ų8256.4 Ų56.431%0.30928%0.279SS..Hα-helixtrans-64.1-42.5172.8-179.7168.767.6150.6-6.9111S1035 I1038 S1042 D1043 S1050S1035-R1046 PolarHBondContact O-NH1 3.14Å; S1035-R1046 VanDerWaalsContact O-NH1 3.07Å; I1038-R1046 HydrophobicContact CB-CG 4.33Å; I1038-R1046 HydrophobicContact CG2-CG 4.18Å; I1038-R1046 WeakPolarHBondContact O-CD 3.46Å; S1042-R1046 WeakPolarHBondContact O-CB 3.41Å; S1042-R1046 PolarHBondContact O-N 2.85Å; D1043-R1046 PolarHBondContact O-N 3.15Å; D1043-R1046 IonicContact OD1-CZ 3.37Å; D1043-R1046 IonicContact OD1-NE 2.82Å; D1043-R1046 IonicContact OD1-NH2 3.64Å; D1043-R1046 PolarHBondContact OD1-NH2 2.87Å; R1046-S1050 PolarHBondContact O-N 3.46Å; R1046-S1050 PolarHBondContact O-OG 3.25Å; R1046-S1050 VanDerWaalsContact O-OG 3.1Å
1047F85Confident80.7Confident40 Ų4051 Ų5118%0.17526%0.26CS..Hα-helixtrans-61.5-51.5172.6-177.8-84.9000111.6D1043 D1044 L1049 S1050 Y1051 I1057 V1060 H1239D1043-F1047 WeakPolarHBondContact O-CB 3.47Å; D1043-F1047 PolarHBondContact O-N 3.17Å; D1044-F1047 PolarHBondContact O-N 3.48Å; F1047-L1049 VanDerWaalsContact C-N 3.29Å; F1047-L1049 PolarHBondContact O-N 3.31Å; F1047-S1050 PolarHBondContact O-N 3.48Å; F1047-S1050 PolarHBondContact O-OG 3.48Å; F1047-Y1051 WeakPolarHBondContact O-CB 3.45Å; F1047-Y1051 PolarHBondContact O-N 3.43Å; F1047-I1057 HydrophobicContact CD2-CD1 4.43Å; F1047-I1057 HydrophobicContact CD2-CG2 4.47Å; F1047-I1057 HydrophobicContact CE2-CD1 4.32Å; F1047-I1057 HydrophobicContact CE2-CG2 4.29Å; F1047-V1060 HydrophobicContact CE2-CG2 3.43Å; F1047-V1060 VanDerWaalsContact CE2-CG2 3.43Å; F1047-V1060 HydrophobicContact CZ-CG2 3.61Å; F1047-H1239 HydrophobicContact CD1-CB 4.49Å; F1047-H1239 AromaticContact CD1-CD2 3.54Å; F1047-H1239 AromaticContact CD1-CG 3.94Å; F1047-H1239 AromaticContact CD1-NE2 3.93Å; F1047-H1239 AromaticContact CE1-CD2 3.4Å; F1047-H1239 VanDerWaalsContact CE1-CD2 3.4Å; F1047-H1239 WeakPolarHBondContact CE1-CD2 3Å; F1047-H1239 AromaticContact CE1-NE2 3.67Å; F1047-H1239 AromaticContact CZ-NE2 3.8Å
1048N87.7Confident80.9Confident1 Ų142.4 Ų42.41%0.00523%0.228CC..Hα-helixtrans-58.4-41.5179.1-71.7-4.7000112D1044 A1045 L1052 C1206 V1207 C1238 H1239D1044-N1048 WeakPolarHBondContact O-CB 3.09Å; D1044-N1048 PolarHBondContact O-N 3.49Å; D1044-N1048 PolarHBondContact O-OD1 3.07Å; A1045-N1048 PolarHBondContact O-N 3.3Å; N1048-L1052 VanDerWaalsContact O-CB 3.32Å; N1048-L1052 WeakPolarHBondContact O-CB 3.2Å; N1048-L1052 WeakPolarHBondContact O-CD1 3.18Å; N1048-L1052 VanDerWaalsContact O-CG 3.27Å; N1048-L1052 WeakPolarHBondContact O-CG 3.44Å; N1048-L1052 PolarHBondContact O-N 2.91Å; N1048-C1206 PolarHBondContact ND2-O 3.2Å; N1048-V1207 HydrophobicContact CB-CG2 4.2Å; N1048-C1238 HydrophobicContact CB-CB 4.47Å; N1048-C1238 WeakPolarHBondContact OD1-CA 3.32Å; N1048-C1238 WeakPolarHBondContact OD1-CB 3.45Å; N1048-H1239 PolarHBondContact ND2-O 3.25Å; N1048-H1239 PolarHBondContact OD1-N 3.03Å
1049L86.6Confident80.7Confident26 Ų2644.3 Ų44.314%0.13625%0.252CS..Hα-helixtrans-67.8-44.1178.2-177.258.6000112.2I1038 Y1041 A1045 F1047 Y1051 L1052 L1053 V1207I1038-L1049 HydrophobicContact CD1-CD2 4.43Å; I1038-L1049 HydrophobicContact CG2-CD2 3.8Å; Y1041-L1049 HydrophobicContact CE2-CD2 4.49Å; A1045-L1049 WeakPolarHBondContact O-CB 3.37Å; A1045-L1049 PolarHBondContact O-N 3.08Å; F1047-L1049 VanDerWaalsContact C-N 3.29Å; F1047-L1049 PolarHBondContact O-N 3.31Å; L1049-Y1051 VanDerWaalsContact C-N 3.35Å; L1049-L1052 PolarHBondContact O-N 2.96Å; L1049-L1053 HydrophobicContact CD1-CD1 3.86Å; L1049-L1053 HydrophobicContact CD1-CG 4.1Å; L1049-L1053 HydrophobicContact CG-CD1 3.96Å; L1049-L1053 WeakPolarHBondContact O-CB 3.41Å; L1049-L1053 VanDerWaalsContact O-CG 3.23Å; L1049-L1053 WeakPolarHBondContact O-CG 3.46Å; L1049-L1053 PolarHBondContact O-N 2.86Å; L1049-V1207 HydrophobicContact CB-CG1 4.18Å; L1049-V1207 HydrophobicContact CB-CG2 3.96Å; L1049-V1207 HydrophobicContact CD1-CG2 4.28Å
1050S86.8Confident81.3Confident10 Ų1041.1 Ų41.17%0.0723%0.23CC..Hα-helixtrans-67-36.5177.758.30000112.3R1046 F1047 N1054 L1055 I1057R1046-S1050 PolarHBondContact O-N 3.46Å; R1046-S1050 PolarHBondContact O-OG 3.25Å; R1046-S1050 VanDerWaalsContact O-OG 3.1Å; F1047-S1050 PolarHBondContact O-N 3.48Å; F1047-S1050 PolarHBondContact O-OG 3.48Å; S1050-N1054 PolarHBondContact O-N 2.98Å; S1050-L1055 PolarHBondContact O-N 2.91Å; S1050-I1057 VanDerWaalsContact OG-CD1 3.22Å; S1050-I1057 WeakPolarHBondContact OG-CD1 3.3Å
1051Y87.7Confident81.6Confident3 Ų343.7 Ų43.71%0.01224%0.237CC..Hα-helixtrans-63.5-50.9173.4-171.3-85000111.9F1047 L1049 L1053 N1054 V1060 W1062 P1063 E1237F1047-Y1051 WeakPolarHBondContact O-CB 3.45Å; F1047-Y1051 PolarHBondContact O-N 3.43Å; L1049-Y1051 VanDerWaalsContact C-N 3.35Å; Y1051-L1053 VanDerWaalsContact C-N 3.28Å; Y1051-L1053 PolarHBondContact O-N 3.22Å; Y1051-N1054 WeakPolarHBondContact O-CA 3.27Å; Y1051-N1054 PolarHBondContact O-N 3.4Å; Y1051-V1060 HydrophobicContact CD2-CG1 4.3Å; Y1051-V1060 HydrophobicContact CE2-CG1 4.14Å; Y1051-W1062 HydrophobicContact CD2-CH2 4.16Å; Y1051-W1062 HydrophobicContact CD2-CZ3 4Å; Y1051-W1062 HydrophobicContact CE2-CE3 4.05Å; Y1051-W1062 HydrophobicContact CE2-CH2 4.35Å; Y1051-W1062 AromaticContact CE2-CZ3 3.78Å; Y1051-W1062 HydrophobicContact CE2-CZ3 3.78Å; Y1051-P1063 WeakPolarHBondContact OH-CD 3.31Å; Y1051-E1237 HydrophobicContact CD1-CB 4.48Å; Y1051-E1237 HydrophobicContact CE1-CB 3.74Å; Y1051-E1237 HydrophobicContact CE2-CB 3.86Å; Y1051-E1237 WeakPolarHBondContact OH-CB 3.42Å; Y1051-E1237 WeakPolarHBondContact OH-CG 3.41Å
1052L86.7Confident82.2Confident2 Ų240 Ų401%0.0122%0.223CC..Hα-helixtrans-66-27179.5-75.2165.2000113.8A979 N1048 L1049 C1206 V1207A979-L1052 VanDerWaalsContact CB-O 3.25Å; A979-L1052 WeakPolarHBondContact CB-O 3.24Å; A979-L1052 PolarHBondContact N-O 3.27Å; N1048-L1052 VanDerWaalsContact O-CB 3.32Å; N1048-L1052 WeakPolarHBondContact O-CB 3.2Å; N1048-L1052 WeakPolarHBondContact O-CD1 3.18Å; N1048-L1052 VanDerWaalsContact O-CG 3.27Å; N1048-L1052 WeakPolarHBondContact O-CG 3.44Å; N1048-L1052 PolarHBondContact O-N 2.91Å; L1049-L1052 PolarHBondContact O-N 2.96Å; L1052-C1206 HydrophobicContact CD1-CB 3.63Å; L1052-V1207 HydrophobicContact CD1-CG2 4.09Å
1053L86.6Confident82.7Confident79 Ų7938.8 Ų38.841%0.41421%0.214SC..THydrogen-bonded Turntrans-81.1-2.6171.1-69173.7000113.3A979 L1049 Y1051 L1055A979-L1053 HydrophobicContact CB-CD2 4.19Å; L1049-L1053 HydrophobicContact CD1-CD1 3.86Å; L1049-L1053 HydrophobicContact CD1-CG 4.1Å; L1049-L1053 HydrophobicContact CG-CD1 3.96Å; L1049-L1053 WeakPolarHBondContact O-CB 3.41Å; L1049-L1053 VanDerWaalsContact O-CG 3.23Å; L1049-L1053 WeakPolarHBondContact O-CG 3.46Å; L1049-L1053 PolarHBondContact O-N 2.86Å; Y1051-L1053 VanDerWaalsContact C-N 3.28Å; Y1051-L1053 PolarHBondContact O-N 3.22Å; L1053-L1055 VanDerWaalsContact C-N 3.27Å; L1053-L1055 HydrophobicContact CB-CD1 4.01Å; L1053-L1055 HydrophobicContact CB-CG 3.95Å; L1053-L1055 HydrophobicContact CD1-CD1 4.2Å; L1053-L1055 PolarHBondContact O-N 2.89Å
1054N86.4Confident83.1Confident15 Ų1535.2 Ų35.28%0.0820%0.197CC..THydrogen-bonded Turntrans58.835.5-179.9-156.267.1000113.3L980 Y1021 S1050 Y1051 W1062L980-N1054 HydrophobicContact CD1-CB 4.25Å; Y1021-N1054 WeakPolarHBondContact CE1-OD1 3.22Å; Y1021-N1054 PolarHBondContact OH-OD1 3.37Å; S1050-N1054 PolarHBondContact O-N 2.98Å; Y1051-N1054 WeakPolarHBondContact O-CA 3.27Å; Y1051-N1054 PolarHBondContact O-N 3.4Å; N1054-W1062 WeakPolarHBondContact OD1-CZ3 3.32Å
1055L84.4Confident83.5Confident47 Ų4735.6 Ų35.625%0.24621%0.206CC..  trans-86.2149.2175.9-63.8172000110.2W1034 S1050 L1053 W1062W1034-L1055 HydrophobicContact CB-CD1 4.17Å; W1034-L1055 HydrophobicContact CD2-CB 4.15Å; W1034-L1055 HydrophobicContact CD2-CD1 4.15Å; W1034-L1055 HydrophobicContact CD2-CD2 4.3Å; W1034-L1055 HydrophobicContact CD2-CG 4.44Å; W1034-L1055 HydrophobicContact CE3-CD2 4.14Å; W1034-L1055 HydrophobicContact CG-CB 4.46Å; W1034-L1055 HydrophobicContact CG-CD1 3.92Å; W1034-L1055 HydrophobicContact CZ2-CB 4.21Å; W1034-L1055 HydrophobicContact CZ3-CD2 4.36Å; S1050-L1055 PolarHBondContact O-N 2.91Å; L1053-L1055 VanDerWaalsContact C-N 3.27Å; L1053-L1055 HydrophobicContact CB-CD1 4.01Å; L1053-L1055 HydrophobicContact CB-CG 3.95Å; L1053-L1055 HydrophobicContact CD1-CD1 4.2Å; L1053-L1055 PolarHBondContact O-N 2.89Å; L1055-W1062 WeakPolarHBondContact O-CH2 3.4Å; L1055-W1062 WeakPolarHBondContact O-CZ2 3.4Å
1056S84.5Confident83.9Confident11 Ų1136.1 Ų36.18%0.07721%0.207CC..  trans-72.4138.3-17759.20000112.8S1020 Y1032 W1034S1020-S1056 WeakPolarHBondContact O-CB 3.42Å; Y1032-S1056 VanDerWaalsContact CD2-O 3.32Å; Y1032-S1056 WeakPolarHBondContact CD2-O 3.26Å; Y1032-S1056 WeakPolarHBondContact CE1-OG 3.3Å; Y1032-S1056 VanDerWaalsContact CZ-OG 3.22Å; W1034-S1056 WeakPolarHBondContact CH2-OG 3.36Å; W1034-S1056 WeakPolarHBondContact CZ2-O 3.32Å; W1034-S1056 WeakPolarHBondContact CZ2-OG 3.45Å; W1034-S1056 PolarHBondContact NE1-O 2.96Å
1057I79.8Confident84.2Confident35 Ų3532.2 Ų32.218%0.17919%0.193CC..  trans-135135.6-176.4-51.5166.4000107.8F1047 S1050 V1060F1047-I1057 HydrophobicContact CD2-CD1 4.43Å; F1047-I1057 HydrophobicContact CD2-CG2 4.47Å; F1047-I1057 HydrophobicContact CE2-CD1 4.32Å; F1047-I1057 HydrophobicContact CE2-CG2 4.29Å; S1050-I1057 VanDerWaalsContact OG-CD1 3.22Å; S1050-I1057 WeakPolarHBondContact OG-CD1 3.3Å; I1057-V1060 HydrophobicContact CB-CB 4.47Å; I1057-V1060 HydrophobicContact CB-CG2 3.9Å; I1057-V1060 HydrophobicContact CD1-CG2 4.42Å; I1057-V1060 HydrophobicContact CG2-CG2 3.8Å
1058Y78.8Confident84.5Confident32 Ų3232.1 Ų32.113%0.12519%0.193CC..THydrogen-bonded Turntrans-69.2135.7174.7-71.4-67.4000111.4H871 L1024 P1026 I1030 Y1032H871-Y1058 HydrophobicContact CB-CD2 4.12Å; H871-Y1058 HydrophobicContact CB-CG 3.99Å; L1024-Y1058 WeakPolarHBondContact CB-OH 3.48Å; L1024-Y1058 WeakPolarHBondContact O-CE1 3.38Å; P1026-Y1058 HydrophobicContact CB-CD1 3.84Å; P1026-Y1058 HydrophobicContact CB-CE1 3.82Å; I1030-Y1058 VanDerWaalsContact O-CE2 3.29Å; I1030-Y1058 WeakPolarHBondContact O-CE2 3.27Å; I1030-Y1058 PolarHBondContact O-OH 3.32Å; Y1032-Y1058 AromaticContact CD2-CD2 3.77Å; Y1032-Y1058 HydrophobicContact CD2-CD2 3.77Å; Y1032-Y1058 AromaticContact CD2-CE2 3.57Å; Y1032-Y1058 HydrophobicContact CD2-CE2 3.57Å; Y1032-Y1058 HydrophobicContact CE2-CD1 4.2Å; Y1032-Y1058 AromaticContact CE2-CD2 3.51Å; Y1032-Y1058 HydrophobicContact CE2-CD2 3.51Å; Y1032-Y1058 HydrophobicContact CE2-CE1 4.06Å; Y1032-Y1058 AromaticContact CE2-CE2 3.31Å; Y1032-Y1058 HydrophobicContact CE2-CE2 3.31Å; Y1032-Y1058 AromaticContact CE2-CG 3.95Å; Y1032-Y1058 HydrophobicContact CE2-CG 3.95Å; Y1032-Y1058 AromaticContact CE2-CZ 3.62Å; Y1032-Y1058 HydrophobicContact CG-CE2 4.39Å; Y1032-Y1058 AromaticContact CZ-CE2 3.97Å; Y1032-Y1058 AromaticContact CZ-CZ 3.81Å
1059G69.1Low84.6Confident60 Ų6032.7 Ų32.762%0.61920%0.2SC*.THydrogen-bonded Turntrans84.1-1.2175.300000116.4
1060V74.2Confident84.8Confident30 Ų3031.4 Ų31.418%0.18219%0.193CC..  trans-96.1124.5178.2-176.40000111F1047 Y1051 I1057 W1062F1047-V1060 HydrophobicContact CE2-CG2 3.43Å; F1047-V1060 VanDerWaalsContact CE2-CG2 3.43Å; F1047-V1060 HydrophobicContact CZ-CG2 3.61Å; Y1051-V1060 HydrophobicContact CD2-CG1 4.3Å; Y1051-V1060 HydrophobicContact CE2-CG1 4.14Å; I1057-V1060 HydrophobicContact CB-CB 4.47Å; I1057-V1060 HydrophobicContact CB-CG2 3.9Å; I1057-V1060 HydrophobicContact CD1-CG2 4.42Å; I1057-V1060 HydrophobicContact CG2-CG2 3.8Å; V1060-W1062 PolarHBondContact O-N 2.78Å
1061N77.7Confident85Confident145 Ų14531.1 Ų31.178%0.77519%0.19SC*.  trans-86.2105.4173-71-33.1000110
1062W85.1Confident85.2Confident14 Ų1435.1 Ų35.15%0.05321%0.208CC..  trans-65134.4179.9-64.791.8000112.4I806 Y1021 Y1051 N1054 L1055 V1060 S1064I806-W1062 HydrophobicContact CD1-CB 4.21Å; Y1021-W1062 HydrophobicContact CD1-CB 4.21Å; Y1021-W1062 AromaticContact CD1-CD1 3.89Å; Y1021-W1062 AromaticContact CD1-CD2 3.52Å; Y1021-W1062 HydrophobicContact CD1-CD2 3.52Å; Y1021-W1062 AromaticContact CD1-CE2 3.84Å; Y1021-W1062 AromaticContact CD1-CE3 3.98Å; Y1021-W1062 HydrophobicContact CD1-CE3 3.98Å; Y1021-W1062 AromaticContact CD1-CG 3.6Å; Y1021-W1062 HydrophobicContact CD1-CG 3.6Å; Y1021-W1062 HydrophobicContact CD2-CB 3.48Å; Y1021-W1062 VanDerWaalsContact CD2-CB 3.48Å; Y1021-W1062 HydrophobicContact CD2-CD2 4.41Å; Y1021-W1062 AromaticContact CD2-CG 3.8Å; Y1021-W1062 HydrophobicContact CD2-CG 3.8Å; Y1021-W1062 HydrophobicContact CE1-CB 4.44Å; Y1021-W1062 AromaticContact CE1-CD2 3.59Å; Y1021-W1062 HydrophobicContact CE1-CD2 3.59Å; Y1021-W1062 AromaticContact CE1-CE3 3.52Å; Y1021-W1062 HydrophobicContact CE1-CE3 3.52Å; Y1021-W1062 HydrophobicContact CE1-CG 4Å; Y1021-W1062 HydrophobicContact CE1-CZ3 4.05Å; Y1021-W1062 HydrophobicContact CE2-CB 3.73Å; Y1021-W1062 HydrophobicContact CE2-CD2 4.45Å; Y1021-W1062 HydrophobicContact CE2-CE3 4.48Å; Y1021-W1062 HydrophobicContact CE2-CG 4.15Å; Y1021-W1062 HydrophobicContact CG-CB 3.75Å; Y1021-W1062 AromaticContact CG-CD1 3.73Å; Y1021-W1062 AromaticContact CG-CD2 3.98Å; Y1021-W1062 HydrophobicContact CG-CD2 3.98Å; Y1021-W1062 AromaticContact CG-CG 3.51Å; Y1021-W1062 HydrophobicContact CG-CG 3.51Å; Y1021-W1062 AromaticContact CZ-CE3 3.81Å; Y1051-W1062 HydrophobicContact CD2-CH2 4.16Å; Y1051-W1062 HydrophobicContact CD2-CZ3 4Å; Y1051-W1062 HydrophobicContact CE2-CE3 4.05Å; Y1051-W1062 HydrophobicContact CE2-CH2 4.35Å; Y1051-W1062 AromaticContact CE2-CZ3 3.78Å; Y1051-W1062 HydrophobicContact CE2-CZ3 3.78Å; N1054-W1062 WeakPolarHBondContact OD1-CZ3 3.32Å; L1055-W1062 WeakPolarHBondContact O-CH2 3.4Å; L1055-W1062 WeakPolarHBondContact O-CZ2 3.4Å; V1060-W1062 PolarHBondContact O-N 2.78Å; W1062-S1064 PolarHBondContact O-N 3.26Å
1063P85.9Confident85.5Confident28 Ų2835.3 Ų35.318%0.18221%0.21CC..  trans-69.6124-178.127.2-34.6000111.6Y1051 A1065 Y1066Y1051-P1063 WeakPolarHBondContact OH-CD 3.31Å; P1063-A1065 PolarHBondContact O-N 3.34Å; P1063-Y1066 HydrophobicContact CG-CD1 4.32Å; P1063-Y1066 HydrophobicContact CG-CD2 3.73Å; P1063-Y1066 HydrophobicContact CG-CE1 4.08Å; P1063-Y1066 HydrophobicContact CG-CE2 3.46Å; P1063-Y1066 VanDerWaalsContact CG-CE2 3.46Å; P1063-Y1066 HydrophobicContact CG-CG 4.16Å; P1063-Y1066 PolarHBondContact O-N 3.43Å
1064S87.7Confident85.8Confident34 Ų3431.6 Ų31.624%0.23819%0.19CC..Hα-helixtrans-61.9-20.4-176.7680000114A803 N804 W1062 Y1066 L1067 I1068A803-S1064 WeakPolarHBondContact O-CB 3.41Å; N804-S1064 WeakPolarHBondContact OD1-CB 3.49Å; N804-S1064 PolarHBondContact OD1-OG 3.33Å; W1062-S1064 PolarHBondContact O-N 3.26Å; S1064-Y1066 VanDerWaalsContact C-N 3.28Å; S1064-Y1066 PolarHBondContact O-N 3.34Å; S1064-L1067 PolarHBondContact O-N 3.25Å; S1064-I1068 WeakPolarHBondContact O-CD1 3.33Å; S1064-I1068 VanDerWaalsContact O-CG1 3.31Å; S1064-I1068 WeakPolarHBondContact O-CG1 3.31Å; S1064-I1068 PolarHBondContact O-N 3.45Å; S1064-I1068 VanDerWaalsContact O-N 3.15Å
1065A88.1Confident86.1Confident49 Ų4931.9 Ų31.941%0.40519%0.191SC..Hα-helixtrans-58.2-34.3177.300000113.6P1063 I1068 G1069P1063-A1065 PolarHBondContact O-N 3.34Å; A1065-I1068 PolarHBondContact O-N 3.3Å; A1065-G1069 PolarHBondContact O-N 3.03Å
1066Y90.1Very high86.4Confident15 Ų1531.8 Ų31.86%0.05919%0.191CC..Hα-helixtrans-67.5-53-179-60.7-10.7000110.5N975 R976 P1063 S1064 I1068 G1069 D1070 N1235N975-Y1066 WeakPolarHBondContact O-CE1 3.34Å; R976-Y1066 HydrophobicContact CG-CD1 4.24Å; R976-Y1066 HydrophobicContact CG-CG 4.35Å; P1063-Y1066 HydrophobicContact CG-CD1 4.32Å; P1063-Y1066 HydrophobicContact CG-CD2 3.73Å; P1063-Y1066 HydrophobicContact CG-CE1 4.08Å; P1063-Y1066 HydrophobicContact CG-CE2 3.46Å; P1063-Y1066 VanDerWaalsContact CG-CE2 3.46Å; P1063-Y1066 HydrophobicContact CG-CG 4.16Å; P1063-Y1066 PolarHBondContact O-N 3.43Å; S1064-Y1066 VanDerWaalsContact C-N 3.28Å; S1064-Y1066 PolarHBondContact O-N 3.34Å; Y1066-I1068 PolarHBondContact O-N 3.39Å; Y1066-G1069 WeakPolarHBondContact O-CA 3.42Å; Y1066-G1069 PolarHBondContact O-N 3.45Å; Y1066-D1070 PolarHBondContact O-N 2.97Å; Y1066-N1235 PolarHBondContact OH-ND2 2.87Å
1067L89.9Confident86.8Confident0 Ų031.3 Ų31.30%019%0.187CC..Hα-helixtrans-56.7-36.7175.2-73.6169.9000112.6A803 Y1014 Q1017 F1018 Y1021 S1064 F1071A803-L1067 HydrophobicContact CB-CB 4.17Å; A803-L1067 HydrophobicContact CB-CD1 4.48Å; Y1014-L1067 HydrophobicContact CD2-CD2 4.25Å; Y1014-L1067 HydrophobicContact CE2-CB 4.3Å; Y1014-L1067 HydrophobicContact CE2-CD2 4.13Å; Y1014-L1067 WeakPolarHBondContact CE2-O 3.41Å; Q1017-L1067 HydrophobicContact CB-CD2 4.29Å; Q1017-L1067 HydrophobicContact CG-CD2 3.99Å; F1018-L1067 HydrophobicContact CB-CD2 4.49Å; F1018-L1067 HydrophobicContact CD2-CD1 3.93Å; Y1021-L1067 HydrophobicContact CD2-CD1 3.76Å; Y1021-L1067 HydrophobicContact CD2-CD2 4.45Å; Y1021-L1067 HydrophobicContact CD2-CG 4.05Å; Y1021-L1067 HydrophobicContact CE2-CD1 4.02Å; Y1021-L1067 HydrophobicContact CE2-CD2 4.28Å; Y1021-L1067 HydrophobicContact CE2-CG 3.8Å; S1064-L1067 PolarHBondContact O-N 3.25Å; L1067-F1071 VanDerWaalsContact O-CB 3.24Å; L1067-F1071 WeakPolarHBondContact O-CB 3.29Å; L1067-F1071 PolarHBondContact O-N 2.99Å
1068I90.6Very high87.3Confident38 Ų3830.7 Ų30.720%0.19519%0.186CC..Hα-helixtrans-67.8-40.3176.4-68.6166.4000111.2I800 A803 S1064 A1065 Y1066 F1071 F1072I800-I1068 HydrophobicContact CG1-CD1 4.29Å; A803-I1068 HydrophobicContact CB-CD1 4.16Å; A803-I1068 HydrophobicContact CB-CG1 3.83Å; S1064-I1068 WeakPolarHBondContact O-CD1 3.33Å; S1064-I1068 VanDerWaalsContact O-CG1 3.31Å; S1064-I1068 WeakPolarHBondContact O-CG1 3.31Å; S1064-I1068 PolarHBondContact O-N 3.45Å; S1064-I1068 VanDerWaalsContact O-N 3.15Å; A1065-I1068 PolarHBondContact O-N 3.3Å; Y1066-I1068 PolarHBondContact O-N 3.39Å; I1068-F1071 PolarHBondContact O-N 3.25Å; I1068-F1072 HydrophobicContact CG2-CD2 3.75Å; I1068-F1072 HydrophobicContact CG2-CE2 3.62Å; I1068-F1072 WeakPolarHBondContact O-CD2 3.2Å; I1068-F1072 PolarHBondContact O-N 3.02Å
1069G89.9Confident87.8Confident13 Ų1330.4 Ų30.413%0.13419%0.189CC..Hα-helixtrans-58.6-55.117300000112.1A1065 Y1066 F1071 F1072 V1073A1065-G1069 PolarHBondContact O-N 3.03Å; Y1066-G1069 WeakPolarHBondContact O-CA 3.42Å; Y1066-G1069 PolarHBondContact O-N 3.45Å; G1069-F1071 VanDerWaalsContact C-N 3.29Å; G1069-F1071 PolarHBondContact O-N 3.26Å; G1069-F1072 PolarHBondContact O-N 2.74Å; G1069-V1073 WeakPolarHBondContact O-CG2 3.46Å; G1069-V1073 PolarHBondContact O-N 2.78Å
1070D90.6Very high88.8Confident0 Ų027.5 Ų27.50%016%0.159CC..Hα-helixtrans-56-42177.3-67.1-61000112R976 M1010 Y1014 Q1017 Y1066 V1073 L1074R976-D1070 IonicContact CZ-OD1 3.84Å; R976-D1070 IonicContact CZ-OD2 3.73Å; R976-D1070 IonicContact NH1-OD1 2.78Å; R976-D1070 PolarHBondContact NH1-OD1 3.48Å; R976-D1070 IonicContact NH1-OD2 2.7Å; R976-D1070 PolarHBondContact NH1-OD2 2.84Å; M1010-D1070 HydrophobicContact CE-CB 4.03Å; Y1014-D1070 HydrophobicContact CD2-CB 4.28Å; Q1017-D1070 VanDerWaalsContact CD-OD2 3.29Å; Q1017-D1070 PolarHBondContact NE2-OD2 3.43Å; Q1017-D1070 PolarHBondContact OE1-OD2 3.15Å; Y1066-D1070 PolarHBondContact O-N 2.97Å; D1070-V1073 PolarHBondContact O-N 3.36Å; D1070-L1074 WeakPolarHBondContact O-CB 3.33Å; D1070-L1074 PolarHBondContact O-N 3.07Å
1071F91.6Very high89.6Confident3 Ų327.1 Ų27.11%0.01316%0.156CC..Hα-helixtrans-62.6-44175.6175.8-91000112.6F795 V796 A799 L817 I821 Y1014 L1067 I1068 G1069 L1074 L1075F795-F1071 HydrophobicContact CB-CZ 3.96Å; V796-F1071 HydrophobicContact CG2-CE1 3.89Å; A799-F1071 HydrophobicContact CB-CD1 3.8Å; A799-F1071 HydrophobicContact CB-CD2 3.63Å; A799-F1071 HydrophobicContact CB-CE1 3.78Å; A799-F1071 HydrophobicContact CB-CE2 3.59Å; A799-F1071 HydrophobicContact CB-CG 3.74Å; A799-F1071 HydrophobicContact CB-CZ 3.68Å; L817-F1071 HydrophobicContact CD1-CE2 4.29Å; L817-F1071 HydrophobicContact CD2-CD2 4.31Å; L817-F1071 HydrophobicContact CD2-CE2 3.82Å; L817-F1071 HydrophobicContact CG-CE2 4.07Å; I821-F1071 HydrophobicContact CD1-CD2 4.16Å; I821-F1071 HydrophobicContact CD1-CE2 3.39Å; I821-F1071 HydrophobicContact CD1-CZ 3.9Å; Y1014-F1071 HydrophobicContact CD2-CB 4.37Å; Y1014-F1071 HydrophobicContact CE1-CD2 4.41Å; Y1014-F1071 HydrophobicContact CE2-CB 3.84Å; Y1014-F1071 HydrophobicContact CE2-CD2 4.47Å; L1067-F1071 VanDerWaalsContact O-CB 3.24Å; L1067-F1071 WeakPolarHBondContact O-CB 3.29Å; L1067-F1071 PolarHBondContact O-N 2.99Å; I1068-F1071 PolarHBondContact O-N 3.25Å; G1069-F1071 VanDerWaalsContact C-N 3.29Å; G1069-F1071 PolarHBondContact O-N 3.26Å; F1071-L1074 PolarHBondContact O-N 3.21Å; F1071-L1075 HydrophobicContact CE1-CD2 4.22Å; F1071-L1075 WeakPolarHBondContact O-CB 3.43Å; F1071-L1075 PolarHBondContact O-N 3.14Å
1072F92.2Very high90Very high87 Ų8722.5 Ų22.538%0.38214%0.138SC..Hα-helixtrans-66.3-40176.4-84.6-63.5000111.9V796 I1068 G1069 L1075 L1076V796-F1072 HydrophobicContact CG1-CZ 4.25Å; V796-F1072 HydrophobicContact CG2-CE1 4.1Å; V796-F1072 HydrophobicContact CG2-CZ 4.36Å; I1068-F1072 HydrophobicContact CG2-CD2 3.75Å; I1068-F1072 HydrophobicContact CG2-CE2 3.62Å; I1068-F1072 WeakPolarHBondContact O-CD2 3.2Å; I1068-F1072 PolarHBondContact O-N 3.02Å; G1069-F1072 PolarHBondContact O-N 2.74Å; F1072-L1075 PolarHBondContact O-N 2.8Å; F1072-L1076 WeakPolarHBondContact O-CB 3.43Å; F1072-L1076 VanDerWaalsContact O-CG 3.28Å; F1072-L1076 WeakPolarHBondContact O-CG 3.43Å; F1072-L1076 PolarHBondContact O-N 3.12Å
1073V93.1Very high90.1Very high7 Ų722.6 Ų22.64%0.04214%0.14CC..Hα-helixtrans-61.1-44.3173.8172.90000110.6I969 D972 Y1006 M1010 G1069 D1070 L1076 A1077I969-V1073 HydrophobicContact CG1-CG1 4.21Å; D972-V1073 HydrophobicContact CB-CG2 3.92Å; Y1006-V1073 HydrophobicContact CE1-CG1 4.17Å; Y1006-V1073 WeakPolarHBondContact OH-CG1 3.18Å; M1010-V1073 HydrophobicContact CE-CB 4.18Å; M1010-V1073 HydrophobicContact CE-CG1 3.96Å; M1010-V1073 HydrophobicContact CG-CG1 4.4Å; M1010-V1073 HydrophobicContact SD-CG1 4.38Å; G1069-V1073 WeakPolarHBondContact O-CG2 3.46Å; G1069-V1073 PolarHBondContact O-N 2.78Å; D1070-V1073 PolarHBondContact O-N 3.36Å; V1073-L1076 PolarHBondContact O-N 3.18Å; V1073-A1077 WeakPolarHBondContact O-CB 3.49Å; V1073-A1077 PolarHBondContact O-N 3.41Å
1074L92.9Very high90.3Very high1 Ų121.9 Ų21.91%0.00513%0.134CC..Hα-helixtrans-62.3-43.3174.6176.458.8000112.6I821 M1010 A1011 D1070 F1071 S1078I821-L1074 HydrophobicContact CG2-CG 4.37Å; M1010-L1074 HydrophobicContact CB-CB 4.26Å; M1010-L1074 HydrophobicContact CB-CD1 3.9Å; A1011-L1074 HydrophobicContact CB-CD1 4.05Å; D1070-L1074 WeakPolarHBondContact O-CB 3.33Å; D1070-L1074 PolarHBondContact O-N 3.07Å; F1071-L1074 PolarHBondContact O-N 3.21Å; L1074-S1078 VanDerWaalsContact O-CB 3.31Å; L1074-S1078 WeakPolarHBondContact O-CB 3.41Å; L1074-S1078 PolarHBondContact O-N 3.04Å; L1074-S1078 PolarHBondContact O-OG 3.41Å
1075L91.1Very high90.2Very high20 Ų2029.5 Ų29.511%0.10516%0.158CC..Hα-helixtrans-66.2-41179-178.463.9000112.1V796 F1071 F1072 S1078 C1079V796-L1075 HydrophobicContact CG2-CD2 4.26Å; F1071-L1075 HydrophobicContact CE1-CD2 4.22Å; F1071-L1075 WeakPolarHBondContact O-CB 3.43Å; F1071-L1075 PolarHBondContact O-N 3.14Å; F1072-L1075 PolarHBondContact O-N 2.8Å; L1075-S1078 PolarHBondContact O-OG 2.95Å; L1075-C1079 WeakPolarHBondContact O-CB 3.44Å; L1075-C1079 PolarHBondContact O-N 2.92Å; L1075-C1079 VanDerWaalsContact O-N 3.11Å; L1075-C1079 PolarHBondContact O-SG 3.26Å
1076L92.3Very high90.1Very high45 Ų4536.3 Ų36.324%0.23617%0.173CC..Hα-helixtrans-73.7-40.3177.1-65.9173.1000111.5F957 T965 A968 F1072 V1073 C1079 Q1080F957-L1076 HydrophobicContact CE2-CD2 4Å; F957-L1076 HydrophobicContact CZ-CD2 4.5Å; T965-L1076 HydrophobicContact CG2-CB 3.86Å; A968-L1076 HydrophobicContact CB-CD1 3.73Å; F1072-L1076 WeakPolarHBondContact O-CB 3.43Å; F1072-L1076 VanDerWaalsContact O-CG 3.28Å; F1072-L1076 WeakPolarHBondContact O-CG 3.43Å; F1072-L1076 PolarHBondContact O-N 3.12Å; V1073-L1076 PolarHBondContact O-N 3.18Å; L1076-C1079 PolarHBondContact O-N 3.06Å; L1076-Q1080 WeakPolarHBondContact O-CB 3.09Å; L1076-Q1080 PolarHBondContact O-N 2.94Å
1077A92.1Very high89.6Confident1 Ų136.2 Ų36.21%0.00817%0.173CC..Hα-helixtrans-66.1-38.4177.900000112.7W1003 Y1006 V1007 V1073 Q1080 L1081W1003-A1077 HydrophobicContact CZ2-CB 3.97Å; W1003-A1077 PolarHBondContact NE1-O 2.8Å; Y1006-A1077 HydrophobicContact CD1-CB 4.13Å; Y1006-A1077 HydrophobicContact CE1-CB 4.01Å; V1007-A1077 HydrophobicContact CG2-CB 3.89Å; V1007-A1077 WeakPolarHBondContact CG2-O 3.36Å; V1073-A1077 WeakPolarHBondContact O-CB 3.49Å; V1073-A1077 PolarHBondContact O-N 3.41Å; A1077-Q1080 PolarHBondContact O-N 3.13Å; A1077-L1081 PolarHBondContact O-N 2.96Å
1078S90.5Very high88.8Confident22 Ų2238.2 Ų38.215%0.15419%0.194CC..Hα-helixtrans-68.8-38.2172.656.90000112.4I821 L1074 L1075 L1081 A1082I821-S1078 WeakPolarHBondContact CG2-OG 3.32Å; L1074-S1078 VanDerWaalsContact O-CB 3.31Å; L1074-S1078 WeakPolarHBondContact O-CB 3.41Å; L1074-S1078 PolarHBondContact O-N 3.04Å; L1074-S1078 PolarHBondContact O-OG 3.41Å; L1075-S1078 PolarHBondContact O-OG 2.95Å; S1078-L1081 PolarHBondContact O-N 3.12Å; S1078-A1082 PolarHBondContact O-N 3.26Å; S1078-A1082 VanDerWaalsContact O-N 3.11Å
1079C88.8Confident88Confident26 Ų2644.7 Ų44.718%0.17622%0.223CC..Hα-helixtrans-61.6-42.5169.2-72.50000111.8F957 L1075 L1076 L1081 A1082 V1083F957-C1079 HydrophobicContact CD1-CB 4.45Å; F957-C1079 HydrophobicContact CE1-CB 3.59Å; F957-C1079 HydrophobicContact CZ-CB 3.84Å; L1075-C1079 WeakPolarHBondContact O-CB 3.44Å; L1075-C1079 PolarHBondContact O-N 2.92Å; L1075-C1079 VanDerWaalsContact O-N 3.11Å; L1075-C1079 PolarHBondContact O-SG 3.26Å; L1076-C1079 PolarHBondContact O-N 3.06Å; C1079-L1081 VanDerWaalsContact C-N 3.35Å; C1079-A1082 WeakPolarHBondContact O-CB 3.35Å; C1079-A1082 PolarHBondContact O-N 2.81Å; C1079-A1082 VanDerWaalsContact O-N 3.15Å; C1079-V1083 PolarHBondContact O-N 3.24Å; C1079-V1083 VanDerWaalsContact O-N 3.08Å
1080Q91.3Very high87.1Confident0 Ų049.7 Ų49.70%025%0.246CC..Hα-helixtrans-68.6-32.8178.7-178.655.32300112.1F957 G961 T965 W1003 L1076 A1077 A1082 V1083 F1084F957-Q1080 HydrophobicContact CE1-CB 4.33Å; F957-Q1080 HydrophobicContact CZ-CB 4.22Å; G961-Q1080 VanDerWaalsContact C-OE1 3.31Å; G961-Q1080 VanDerWaalsContact CA-OE1 3.31Å; T965-Q1080 HydrophobicContact CG2-CB 4.04Å; W1003-Q1080 HydrophobicContact CZ2-CB 4.11Å; W1003-Q1080 HydrophobicContact CZ2-CG 3.97Å; L1076-Q1080 WeakPolarHBondContact O-CB 3.09Å; L1076-Q1080 PolarHBondContact O-N 2.94Å; A1077-Q1080 PolarHBondContact O-N 3.13Å; Q1080-A1082 VanDerWaalsContact C-N 3.32Å; Q1080-A1082 PolarHBondContact O-N 2.89Å; Q1080-V1083 WeakPolarHBondContact O-CB 3.41Å; Q1080-V1083 PolarHBondContact O-N 3.26Å; Q1080-F1084 HydrophobicContact CG-CD2 4.04Å; Q1080-F1084 HydrophobicContact CG-CE2 3.73Å; Q1080-F1084 HydrophobicContact CG-CZ 4.19Å; Q1080-F1084 PolarHBondContact O-N 3.13Å
1081L90.5Very high86.5Confident22 Ų2249.7 Ų49.712%0.11525%0.247CC..Hα-helixtrans-63.1-38.3169.8179.858.8000111.8V1004 V1007 A1077 S1078 C1079 V1083 F1084 R1085V1004-L1081 HydrophobicContact CG2-CD1 3.91Å; V1007-L1081 HydrophobicContact CB-CD2 4.29Å; V1007-L1081 HydrophobicContact CG1-CD2 4.18Å; V1007-L1081 HydrophobicContact CG2-CB 4.25Å; V1007-L1081 HydrophobicContact CG2-CD2 4.22Å; A1077-L1081 PolarHBondContact O-N 2.96Å; S1078-L1081 PolarHBondContact O-N 3.12Å; C1079-L1081 VanDerWaalsContact C-N 3.35Å; L1081-V1083 VanDerWaalsContact C-N 3.3Å; L1081-V1083 PolarHBondContact O-N 2.93Å; L1081-F1084 PolarHBondContact O-N 3.41Å; L1081-R1085 WeakPolarHBondContact O-CG 3.49Å; L1081-R1085 PolarHBondContact O-N 3.49Å
1082A86.2Confident85.6Confident48 Ų4851.9 Ų51.940%0.39726%0.259SS..Hα-helixtrans-67.9-28.3173.800000113.1S1078 C1079 Q1080 R1086S1078-A1082 PolarHBondContact O-N 3.26Å; S1078-A1082 VanDerWaalsContact O-N 3.11Å; C1079-A1082 WeakPolarHBondContact O-CB 3.35Å; C1079-A1082 PolarHBondContact O-N 2.81Å; C1079-A1082 VanDerWaalsContact O-N 3.15Å; Q1080-A1082 VanDerWaalsContact C-N 3.32Å; Q1080-A1082 PolarHBondContact O-N 2.89Å; A1082-R1086 WeakPolarHBondContact O-CG 3.32Å
1083V88Confident84.8Confident15 Ų1549.3 Ų49.39%0.09125%0.251CS..Hα-helixtrans-70.8-51.4169.5172.70000110.7F957 Y958 C1079 Q1080 L1081 R1085 R1086 E1087F957-V1083 HydrophobicContact CD1-CG2 3.89Å; F957-V1083 HydrophobicContact CE1-CG2 4.05Å; Y958-V1083 HydrophobicContact CD2-CG1 3.82Å; Y958-V1083 HydrophobicContact CE2-CG1 4.29Å; C1079-V1083 PolarHBondContact O-N 3.24Å; C1079-V1083 VanDerWaalsContact O-N 3.08Å; Q1080-V1083 WeakPolarHBondContact O-CB 3.41Å; Q1080-V1083 PolarHBondContact O-N 3.26Å; L1081-V1083 VanDerWaalsContact C-N 3.3Å; L1081-V1083 PolarHBondContact O-N 2.93Å; V1083-R1085 PolarHBondContact O-N 3.12Å; V1083-R1086 CarbonylContact O-C 3.53Å; V1083-R1086 WeakPolarHBondContact O-CA 3.29Å; V1083-R1086 PolarHBondContact O-N 3.32Å; V1083-E1087 WeakPolarHBondContact O-CB 3.38Å; V1083-E1087 PolarHBondContact O-N 2.88Å
1084F89.1Confident84.2Confident14 Ų1449.8 Ų49.86%0.06125%0.253CS..Hα-helixtrans-60.4-27.3180-74.9-38.9000113.9L962 R1000 W1003 Q1080 L1081 R1086L962-F1084 HydrophobicContact CD1-CZ 4.36Å; L962-F1084 HydrophobicContact CD2-CZ 4.49Å; R1000-F1084 HydrophobicContact CB-CD1 4.47Å; R1000-F1084 HydrophobicContact CB-CE1 4.48Å; R1000-F1084 HydrophobicContact CG-CB 4.05Å; R1000-F1084 HydrophobicContact CG-CD1 3.8Å; R1000-F1084 HydrophobicContact CG-CD2 4.45Å; R1000-F1084 HydrophobicContact CG-CE1 4.29Å; R1000-F1084 HydrophobicContact CG-CG 3.89Å; W1003-F1084 HydrophobicContact CB-CD2 4.08Å; W1003-F1084 HydrophobicContact CB-CE2 3.98Å; W1003-F1084 AromaticContact CD1-CD2 3.95Å; W1003-F1084 HydrophobicContact CD2-CD2 4.41Å; W1003-F1084 AromaticContact CD2-CE2 3.79Å; W1003-F1084 HydrophobicContact CD2-CE2 3.79Å; W1003-F1084 HydrophobicContact CE3-CE2 4.22Å; W1003-F1084 AromaticContact CG-CD2 3.86Å; W1003-F1084 HydrophobicContact CG-CD2 3.86Å; W1003-F1084 AromaticContact CG-CE2 3.66Å; W1003-F1084 HydrophobicContact CG-CE2 3.66Å; Q1080-F1084 HydrophobicContact CG-CD2 4.04Å; Q1080-F1084 HydrophobicContact CG-CE2 3.73Å; Q1080-F1084 HydrophobicContact CG-CZ 4.19Å; Q1080-F1084 PolarHBondContact O-N 3.13Å; L1081-F1084 PolarHBondContact O-N 3.41Å; F1084-R1086 VanDerWaalsContact C-N 3.31Å
1085R86.3Confident83.5Confident194 Ų19450.2 Ų50.273%0.73226%0.255SS*.THydrogen-bonded Turntrans-75.3-13.3171.8-72.9177.5-177.8175.22114.5L1081 V1083L1081-R1085 WeakPolarHBondContact O-CG 3.49Å; L1081-R1085 PolarHBondContact O-N 3.49Å; V1083-R1085 PolarHBondContact O-N 3.12Å
1086R84.4Confident82.6Confident191 Ų19153.6 Ų53.672%0.72127%0.273SS*.THydrogen-bonded Turntrans-111.1-13178.9-68.4178.3177.41740.8113.4A1082 V1083 F1084A1082-R1086 WeakPolarHBondContact O-CG 3.32Å; V1083-R1086 CarbonylContact O-C 3.53Å; V1083-R1086 WeakPolarHBondContact O-CA 3.29Å; V1083-R1086 PolarHBondContact O-N 3.32Å; F1084-R1086 VanDerWaalsContact C-N 3.31Å
1087E80Confident81.6Confident14 Ų1457 Ų577%0.06529%0.292CS..  trans-79.3119.8-174.1179.6173.4134.500112.4R996 R1000 V1083 N1091R996-E1087 IonicContact CZ-OE1 3.25Å; R996-E1087 IonicContact CZ-OE2 2.64Å; R996-E1087 IonicContact NE-OE1 3.04Å; R996-E1087 PolarHBondContact NE-OE1 3.21Å; R996-E1087 IonicContact NE-OE2 2.74Å; R996-E1087 IonicContact NH2-OE1 2.69Å; R996-E1087 PolarHBondContact NH2-OE1 3.41Å; R996-E1087 IonicContact NH2-OE2 3.68Å; R996-E1087 PolarHBondContact NH2-OE2 3.4Å; R1000-E1087 IonicContact CZ-OE1 2.65Å; R1000-E1087 IonicContact NH2-OE1 2.61Å; V1083-E1087 WeakPolarHBondContact O-CB 3.38Å; V1083-E1087 PolarHBondContact O-N 2.88Å; E1087-N1091 VanDerWaalsContact CD-ND2 3.29Å; E1087-N1091 HydrophobicContact CG-CB 4.03Å; E1087-N1091 WeakPolarHBondContact OE1-CB 3.4Å; E1087-N1091 PolarHBondContact OE2-ND2 2.63Å
1088G73.2Confident80.6Confident42 Ų4258.8 Ų58.843%0.43331%0.31SS..  trans-87.1-133167.200000112.4
1089E73.5Confident79.9Confident174 Ų17463.1 Ų63.181%0.81333%0.332SS*.SBendtrans-86.5-14.8179.8-60.4-175.7160.700113.6N1091 D1092E1089-N1091 PolarHBondContact O-N 3.18Å; E1089-D1092 PolarHBondContact O-N 3.01Å
1090D72.3Confident79.3Confident117 Ų11764.2 Ų64.263%0.62633%0.333SS*.THydrogen-bonded Turntrans-49.5-18-174-80.61.8000117.7K959K959-D1090 PolarHBondContact NZ-O 2.85Å
1091N77.6Confident78.6Confident1 Ų168.2 Ų68.21%0.00536%0.358CS..THydrogen-bonded Turntrans-116.7-8.3-167.5-81.2-5.8000114.3Y958 K959 R996 E1087 E1089 R1275Y958-N1091 PolarHBondContact O-ND2 3.26Å; K959-N1091 WeakPolarHBondContact CD-OD1 3.24Å; K959-N1091 WeakPolarHBondContact CE-OD1 3.36Å; K959-N1091 PolarHBondContact NZ-OD1 3.32Å; R996-N1091 PolarHBondContact NH2-ND2 2.99Å; E1087-N1091 VanDerWaalsContact CD-ND2 3.29Å; E1087-N1091 HydrophobicContact CG-CB 4.03Å; E1087-N1091 WeakPolarHBondContact OE1-CB 3.4Å; E1087-N1091 PolarHBondContact OE2-ND2 2.63Å; E1089-N1091 PolarHBondContact O-N 3.18Å; N1091-R1275 PolarHBondContact O-NH1 3.05Å; N1091-R1275 VanDerWaalsContact O-NH1 3.13Å; N1091-R1275 PolarHBondContact O-NH2 3.19Å
1092D71.7Confident78Confident49 Ų4967.6 Ų67.626%0.26235%0.354SS..SBendtrans-72.7177.1179.4-69.3-34.4000111.9R1000 E1089R1000-D1092 IonicContact NH2-OD1 2.98Å; R1000-D1092 PolarHBondContact NH2-OD1 3.11Å; R1000-D1092 IonicContact NH2-OD2 3.59Å; E1089-D1092 PolarHBondContact O-N 3.01Å
1093S77.2Confident77.6Confident33 Ų3369 Ų6923%0.23135%0.352CS..  trans-94.7158.2-168.681.60000113.2Y1095 N1096S1093-Y1095 PolarHBondContact O-N 3.47Å; S1093-N1096 WeakPolarHBondContact CA-OD1 3.45Å; S1093-N1096 PolarHBondContact N-OD1 3.18Å; S1093-N1096 PolarHBondContact O-N 3.07Å; S1093-N1096 PolarHBondContact O-ND2 3.28Å; S1093-N1096 PolarHBondContact O-OD1 3.28Å; S1093-N1096 PolarHBondContact OG-N 3.24Å; S1093-N1096 PolarHBondContact OG-OD1 3.48Å
1094I79.4Confident76.9Confident17 Ų1773.4 Ų73.49%0.08738%0.381CS..THydrogen-bonded Turntrans-67.6-25.2178-60.9166.9000112.5K1103 H1278 W1280I1094-K1103 HydrophobicContact CG2-CD 4.27Å; I1094-K1103 PolarHBondContact O-NZ 3.18Å; I1094-H1278 VanDerWaalsContact CD1-O 3.3Å; I1094-H1278 WeakPolarHBondContact CD1-O 3.4Å; I1094-W1280 VanDerWaalsContact CD1-CA 3.49Å; I1094-W1280 HydrophobicContact CD1-CB 3.92Å; I1094-W1280 VanDerWaalsContact CD1-CD1 3.49Å; I1094-W1280 HydrophobicContact CD1-CD2 3.47Å; I1094-W1280 VanDerWaalsContact CD1-CD2 3.47Å; I1094-W1280 HydrophobicContact CD1-CE3 4.13Å; I1094-W1280 HydrophobicContact CD1-CG 3.33Å; I1094-W1280 HydrophobicContact CG1-CD2 3.95Å; I1094-W1280 HydrophobicContact CG1-CG 4.11Å; I1094-W1280 HydrophobicContact CG1-CZ2 4.15Å; I1094-W1280 HydrophobicContact CG2-CD2 4.34Å; I1094-W1280 HydrophobicContact CG2-CE3 4.27Å; I1094-W1280 HydrophobicContact CG2-CH2 3.95Å; I1094-W1280 HydrophobicContact CG2-CZ2 3.98Å; I1094-W1280 HydrophobicContact CG2-CZ3 4.09Å
1095Y78.7Confident76.3Confident10 Ų1080.9 Ų80.94%0.03942%0.416CS..THydrogen-bonded Turntrans-106.437.4-176.6-52.1-63.9000111.4S1093 D1097 G1098 F1100 F1177 H1278 Q1283S1093-Y1095 PolarHBondContact O-N 3.47Å; Y1095-D1097 PolarHBondContact O-N 2.95Å; Y1095-G1098 PolarHBondContact O-N 3.32Å; Y1095-F1100 HydrophobicContact CD1-CD1 4.15Å; Y1095-F1100 AromaticContact CD2-CD1 3.81Å; Y1095-F1100 HydrophobicContact CD2-CD1 3.81Å; Y1095-F1100 HydrophobicContact CD2-CE1 4.09Å; Y1095-F1100 HydrophobicContact CE2-CD1 4.39Å; Y1095-F1100 AromaticContact CG-CD1 3.69Å; Y1095-F1100 HydrophobicContact CG-CD1 3.69Å; Y1095-F1100 HydrophobicContact CG-CE1 4.08Å; Y1095-F1177 HydrophobicContact CE2-CE1 4.29Å; Y1095-H1278 AromaticContact CD2-ND1 3.86Å; Y1095-Q1283 PolarHBondContact OH-NE2 3.42Å
1096N71.1Confident76Confident91 Ų9173.4 Ų73.449%0.48739%0.39SS..THydrogen-bonded Turntrans-53.9-33.9177.8-78-10.1000112.6S1093 G1098S1093-N1096 WeakPolarHBondContact CA-OD1 3.45Å; S1093-N1096 PolarHBondContact N-OD1 3.18Å; S1093-N1096 PolarHBondContact O-N 3.07Å; S1093-N1096 PolarHBondContact O-ND2 3.28Å; S1093-N1096 PolarHBondContact O-OD1 3.28Å; S1093-N1096 PolarHBondContact OG-N 3.24Å; S1093-N1096 PolarHBondContact OG-OD1 3.48Å; N1096-G1098 PolarHBondContact O-N 3.48Å
1097D71.3Confident75.8Confident117 Ų11768.7 Ų68.763%0.62638%0.384SS*.THydrogen-bonded Turntrans-72.3-8.6179-40.8-45.9000114Y1095 N1099Y1095-D1097 PolarHBondContact O-N 2.95Å; D1097-N1099 PolarHBondContact O-N 3.4Å
1098G72.8Confident75.8Confident38 Ų3871 Ų7139%0.39240%0.395SS..SBendtrans76.7-8-173.300000115.4Y1095 N1096 F1100Y1095-G1098 PolarHBondContact O-N 3.32Å; N1096-G1098 PolarHBondContact O-N 3.48Å; G1098-F1100 WeakPolarHBondContact O-CD2 3.46Å; G1098-F1100 WeakPolarHBondContact O-CE2 3.43Å; G1098-F1100 PolarHBondContact O-N 2.87Å
1099N75.5Confident76.2Confident113 Ų11372.4 Ų72.460%0.60439%0.388SS*.  trans-86.2102.5177.8-77.4-33.8000112D1097 V1101D1097-N1099 PolarHBondContact O-N 3.4Å; N1099-V1101 VanDerWaalsContact C-N 3.3Å; N1099-V1101 PolarHBondContact O-N 2.91Å
1100F76.4Confident76.6Confident48 Ų4865.7 Ų65.721%0.21136%0.358CS..  trans-80.763.8179.7-57.4-74.7000113.5Y1095 G1098 M1170 F1177 E1178 L1181Y1095-F1100 HydrophobicContact CD1-CD1 4.15Å; Y1095-F1100 AromaticContact CD2-CD1 3.81Å; Y1095-F1100 HydrophobicContact CD2-CD1 3.81Å; Y1095-F1100 HydrophobicContact CD2-CE1 4.09Å; Y1095-F1100 HydrophobicContact CE2-CD1 4.39Å; Y1095-F1100 AromaticContact CG-CD1 3.69Å; Y1095-F1100 HydrophobicContact CG-CD1 3.69Å; Y1095-F1100 HydrophobicContact CG-CE1 4.08Å; G1098-F1100 WeakPolarHBondContact O-CD2 3.46Å; G1098-F1100 WeakPolarHBondContact O-CE2 3.43Å; G1098-F1100 PolarHBondContact O-N 2.87Å; F1100-M1170 WeakPolarHBondContact O-CE 3.43Å; F1100-F1177 HydrophobicContact CB-CD1 3.79Å; F1100-F1177 AromaticContact CD1-CD1 3.87Å; F1100-F1177 HydrophobicContact CD1-CD1 3.87Å; F1100-F1177 AromaticContact CD1-CE1 3.83Å; F1100-F1177 HydrophobicContact CD1-CE1 3.83Å; F1100-F1177 HydrophobicContact CE1-CE1 4.45Å; F1100-F1177 AromaticContact CG-CD1 3.97Å; F1100-F1177 HydrophobicContact CG-CD1 3.97Å; F1100-F1177 HydrophobicContact CG-CE1 4.4Å; F1100-E1178 HydrophobicContact CD2-CB 4.05Å; F1100-E1178 HydrophobicContact CD2-CG 4.09Å; F1100-E1178 HydrophobicContact CE2-CG 4.11Å; F1100-L1181 HydrophobicContact CE1-CD2 3.95Å; F1100-L1181 HydrophobicContact CZ-CD2 3.74Å
1101V75.3Confident77.3Confident85 Ų8560.1 Ų60.152%0.51533%0.328SS..  trans-106.3144175.7-173.50000109.9N1099 K1103N1099-V1101 VanDerWaalsContact C-N 3.3Å; N1099-V1101 PolarHBondContact O-N 2.91Å; V1101-K1103 PolarHBondContact O-N 3.25Å; V1101-K1103 VanDerWaalsContact O-N 3.16Å
1102I77.8Confident77.6Confident9 Ų961 Ų615%0.04633%0.332CS..  trans-64.9114.1171.7-56.9176.6000107.8M1170 M1286I1102-M1170 HydrophobicContact CD1-SD 3.85Å; I1102-M1170 HydrophobicContact CG1-CE 4.34Å; I1102-M1170 HydrophobicContact CG1-SD 3.85Å; I1102-M1286 HydrophobicContact CD1-CB 4.43Å
1103K78Confident77.8Confident77 Ų7761.2 Ų61.234%0.33533%0.334SS..  trans-71.6127.7175.8-70-178.2172.9174.50108.1I1094 V1101 E1105 W1280I1094-K1103 HydrophobicContact CG2-CD 4.27Å; I1094-K1103 PolarHBondContact O-NZ 3.18Å; V1101-K1103 PolarHBondContact O-N 3.25Å; V1101-K1103 VanDerWaalsContact O-N 3.16Å; K1103-E1105 VanDerWaalsContact C-N 3.32Å; K1103-E1105 PolarHBondContact O-N 2.97Å; K1103-W1280 HydrophobicContact CB-CZ3 4.34Å; K1103-W1280 HydrophobicContact CD-CH2 4Å; K1103-W1280 HydrophobicContact CD-CZ3 4.28Å
1104P73.4Confident77.6Confident108 Ų10862.3 Ų62.370%0.70134%0.339SS*.SBendtrans-68.3-31.9-175.125.5-33.3000112.6
1105E77Confident77.4Confident171 Ų17165.7 Ų65.780%0.79935%0.353SS*.  trans-94.4108.1174.1-64.4-176.8175.800110.5K1103K1103-E1105 VanDerWaalsContact C-N 3.32Å; K1103-E1105 PolarHBondContact O-N 2.97Å
1106N80.5Confident77.2Confident36 Ų3672.8 Ų72.819%0.19338%0.384CS..  trans-105.7122.1171.4-172.5-21.8000108.9Q1108 W1280 H1284N1106-Q1108 PolarHBondContact O-N 2.88Å; N1106-Q1108 VanDerWaalsContact O-N 3.16Å; N1106-Q1108 PolarHBondContact OD1-N 3.38Å; N1106-Q1108 VanDerWaalsContact OD1-N 3.07Å; N1106-W1280 PolarHBondContact ND2-O 3.1Å; N1106-H1284 PolarHBondContact ND2-NE2 3.27Å
1107P79.7Confident77.4Confident93 Ų9369.6 Ų69.660%0.60437%0.369SS*.SBendtrans-69.5-9.5-178.228.5-35.8000114W1280P1107-W1280 HydrophobicContact CG-CD2 4.29Å
1108Q79.2Confident77.7Confident61 Ų6171.8 Ų71.829%0.28537%0.369SS..SBendtrans-103.8135.5178.6-59.5-63.6-26.500110.9N1106 W1280 Y1281 H1284N1106-Q1108 PolarHBondContact O-N 2.88Å; N1106-Q1108 VanDerWaalsContact O-N 3.16Å; N1106-Q1108 PolarHBondContact OD1-N 3.38Å; N1106-Q1108 VanDerWaalsContact OD1-N 3.07Å; Q1108-W1280 HydrophobicContact CG-CB 4.41Å; Q1108-Y1281 HydrophobicContact CB-CD1 4.39Å; Q1108-Y1281 HydrophobicContact CB-CE1 3.97Å; Q1108-Y1281 HydrophobicContact CG-CE1 3.87Å; Q1108-H1284 PolarHBondContact O-NE2 3.18Å
1109Y83.1Confident78.2Confident72 Ų7270.2 Ų70.228%0.28235%0.352SS..  trans-65.2154.3179.165.5-90.3000112.7F1111 D1120Y1109-F1111 HydrophobicContact CE2-CB 4.18Å; Y1109-F1111 PolarHBondContact O-N 2.82Å; Y1109-D1120 PolarHBondContact OH-OD1 3.01Å; Y1109-D1120 PolarHBondContact OH-OD2 3.47Å
1110D80.6Confident78.6Confident34 Ų3464.9 Ų64.918%0.18232%0.324CS..  trans-70.1101175.1-173-6000110.6I1112 D1113 T1114 K1507D1110-I1112 VanDerWaalsContact C-N 3.32Å; D1110-I1112 WeakPolarHBondContact OD1-CA 3.37Å; D1110-I1112 VanDerWaalsContact OD1-CB 3.28Å; D1110-I1112 WeakPolarHBondContact OD1-CB 3.08Å; D1110-I1112 PolarHBondContact OD1-N 3.03Å; D1110-D1113 PolarHBondContact OD1-N 2.82Å; D1110-T1114 PolarHBondContact O-N 3.38Å; D1110-T1114 VanDerWaalsContact O-N 3.11Å; D1110-T1114 PolarHBondContact O-OG1 2.77Å; D1110-K1507 IonicContact OD2-NZ 2.97Å; D1110-K1507 PolarHBondContact OD2-NZ 3.31Å
1111F86.8Confident78.8Confident0 Ų067.8 Ų67.80%033%0.334CS..THydrogen-bonded Turntrans-79.4-9.2177.865.4-87.4000113.5Y1109 K1115 D1120 K1123 F1127 Y1281 H1284Y1109-F1111 HydrophobicContact CE2-CB 4.18Å; Y1109-F1111 PolarHBondContact O-N 2.82Å; F1111-K1115 WeakPolarHBondContact O-CG 3.26Å; F1111-D1120 HydrophobicContact CB-CB 4.14Å; F1111-K1123 HydrophobicContact CB-CD 4.45Å; F1111-K1123 HydrophobicContact CD2-CB 3.76Å; F1111-K1123 HydrophobicContact CE2-CB 3.98Å; F1111-K1123 HydrophobicContact CG-CB 4.29Å; F1111-K1123 HydrophobicContact CG-CD 4.32Å; F1111-F1127 HydrophobicContact CZ-CB 4.14Å; F1111-F1127 HydrophobicContact CZ-CD2 4.33Å; F1111-Y1281 HydrophobicContact CD1-CD1 4.02Å; F1111-Y1281 AromaticContact CE1-CD1 3.86Å; F1111-Y1281 HydrophobicContact CE1-CD1 3.86Å; F1111-Y1281 HydrophobicContact CE1-CG 4.27Å; F1111-Y1281 WeakPolarHBondContact CE1-O 3.34Å; F1111-Y1281 WeakPolarHBondContact CZ-O 3.3Å; F1111-H1284 HydrophobicContact CE1-CB 4.18Å
1112I83.3Confident79.2Confident19 Ų1970.2 Ų70.210%0.09734%0.338CS..THydrogen-bonded Turntrans-79.5-49.9178.1-56178.7000109.2D1110 K1115 H1284 C1285 E1288D1110-I1112 VanDerWaalsContact C-N 3.32Å; D1110-I1112 WeakPolarHBondContact OD1-CA 3.37Å; D1110-I1112 VanDerWaalsContact OD1-CB 3.28Å; D1110-I1112 WeakPolarHBondContact OD1-CB 3.08Å; D1110-I1112 PolarHBondContact OD1-N 3.03Å; I1112-K1115 WeakPolarHBondContact O-CE 3.08Å; I1112-H1284 HydrophobicContact CD1-CB 4.12Å; I1112-C1285 HydrophobicContact CD1-CB 4.37Å; I1112-E1288 HydrophobicContact CD1-CB 4.17Å; I1112-E1288 HydrophobicContact CG2-CG 4.37Å
1113D76.3Confident79.7Confident54 Ų5470.2 Ų70.229%0.28934%0.337SS..THydrogen-bonded Turntrans-82.8-41.1179.1-72.85.8000112.2D1110 K1507D1110-D1113 PolarHBondContact OD1-N 2.82Å; D1113-K1507 IonicContact OD1-NZ 3.36Å; D1113-K1507 PolarHBondContact OD1-NZ 3.1Å; D1113-K1507 WeakPolarHBondContact OD2-CD 3.4Å; D1113-K1507 IonicContact OD2-NZ 3.12Å; D1113-K1507 PolarHBondContact OD2-NZ 3.11Å
1114T72.7Confident80.1Confident55 Ų5567 Ų6734%0.33733%0.325SS..  trans-107.674.4-175.970.20000112.5D1110 K1116D1110-T1114 PolarHBondContact O-N 3.38Å; D1110-T1114 VanDerWaalsContact O-N 3.11Å; D1110-T1114 PolarHBondContact O-OG1 2.77Å; T1114-K1116 PolarHBondContact O-N 3.21Å; T1114-K1116 VanDerWaalsContact O-N 3.08Å
1115K76.6Confident80.7Confident88 Ų8867.2 Ų67.238%0.38332%0.315SS..  trans-75.293.4178.5-61.8-179.1-171.4-174.10111.2F1111 I1112 Y1121F1111-K1115 WeakPolarHBondContact O-CG 3.26Å; I1112-K1115 WeakPolarHBondContact O-CE 3.08Å; K1115-Y1121 HydrophobicContact CB-CD2 4.44Å; K1115-Y1121 HydrophobicContact CB-CE2 3.88Å; K1115-Y1121 HydrophobicContact CD-CD1 4.18Å; K1115-Y1121 HydrophobicContact CD-CE1 3.8Å; K1115-Y1121 HydrophobicContact CD-CE2 4.22Å
1116K74.8Confident81.2Confident160 Ų16061.1 Ų61.170%0.69629%0.289SS*.  trans-91.9-33.3-177.2-65.8173.6-174.8171.90112.9T1114 D1120T1114-K1116 PolarHBondContact O-N 3.21Å; T1114-K1116 VanDerWaalsContact O-N 3.08Å; K1116-D1120 WeakPolarHBondContact CA-OD2 3.32Å; K1116-D1120 PolarHBondContact N-OD2 3.09Å
1117S74.9Confident81.6Confident24 Ų2460.8 Ų60.817%0.16829%0.286CS..SBendtrans-126156.1-172.7-179.70000111.6V1119 D1120S1117-V1119 PolarHBondContact O-N 2.87Å; S1117-V1119 PolarHBondContact OG-N 3.29Å; S1117-D1120 PolarHBondContact N-OD2 3.28Å; S1117-D1120 WeakPolarHBondContact O-CB 3.35Å; S1117-D1120 PolarHBondContact O-N 3.29Å
1118Y77.1Confident81.9Confident162 Ų16256.8 Ų56.864%0.63526%0.259SS*.Hα-helixtrans-59-25.5166.9-74.6-78.3000112.2D1120 Y1121 F1122 T1560Y1118-D1120 VanDerWaalsContact C-N 3.25Å; Y1118-D1120 PolarHBondContact O-N 3.16Å; Y1118-Y1121 PolarHBondContact O-N 2.73Å; Y1118-F1122 PolarHBondContact O-N 3.06Å; Y1118-F1122 VanDerWaalsContact O-N 3.14Å; Y1118-T1560 HydrophobicContact CE1-CG2 4.48Å
1119V83.4Confident82.3Confident6 Ų658.1 Ų58.14%0.03626%0.263CS..Hα-helixtrans-62.9-32.5171.9-177.30000111.1S1117 F1122 K1123S1117-V1119 PolarHBondContact O-N 2.87Å; S1117-V1119 PolarHBondContact OG-N 3.29Å; V1119-F1122 PolarHBondContact O-N 3.4Å; V1119-K1123 HydrophobicContact CG1-CG 4.46Å; V1119-K1123 WeakPolarHBondContact O-CB 3.36Å; V1119-K1123 WeakPolarHBondContact O-CG 3.48Å; V1119-K1123 PolarHBondContact O-N 3.38Å
1120D84.9Confident82.5Confident0 Ų055.1 Ų55.10%025%0.254CS..Hα-helixtrans-71-34.8177.6-58.7-37.3000112.3Y1109 F1111 K1116 S1117 Y1118 K1123 S1124Y1109-D1120 PolarHBondContact OH-OD1 3.01Å; Y1109-D1120 PolarHBondContact OH-OD2 3.47Å; F1111-D1120 HydrophobicContact CB-CB 4.14Å; K1116-D1120 WeakPolarHBondContact CA-OD2 3.32Å; K1116-D1120 PolarHBondContact N-OD2 3.09Å; S1117-D1120 PolarHBondContact N-OD2 3.28Å; S1117-D1120 WeakPolarHBondContact O-CB 3.35Å; S1117-D1120 PolarHBondContact O-N 3.29Å; Y1118-D1120 VanDerWaalsContact C-N 3.25Å; Y1118-D1120 PolarHBondContact O-N 3.16Å; D1120-K1123 PolarHBondContact O-N 2.92Å; D1120-K1123 IonicContact OD1-NZ 2.87Å; D1120-S1124 VanDerWaalsContact O-CB 3.31Å; D1120-S1124 WeakPolarHBondContact O-CB 3.4Å; D1120-S1124 PolarHBondContact O-N 3.2Å
1121Y80.5Confident82.8Confident109 Ų10953.6 Ų53.643%0.42725%0.245SC..Hα-helixtrans-64.7-41.1170.7-74.2-93.3000111.3K1115 Y1118 S1124 F1125K1115-Y1121 HydrophobicContact CB-CD2 4.44Å; K1115-Y1121 HydrophobicContact CB-CE2 3.88Å; K1115-Y1121 HydrophobicContact CD-CD1 4.18Å; K1115-Y1121 HydrophobicContact CD-CE1 3.8Å; K1115-Y1121 HydrophobicContact CD-CE2 4.22Å; Y1118-Y1121 PolarHBondContact O-N 2.73Å; Y1121-S1124 PolarHBondContact O-N 2.83Å; Y1121-F1125 PolarHBondContact O-N 3.4Å
1122F83.7Confident82.8Confident136 Ų13655.8 Ų55.860%0.59625%0.254SS*.Hα-helixtrans-66.9-42.4175.6-174.6-104.7000112.3Y1118 V1119 S1124 F1125 V1126Y1118-F1122 PolarHBondContact O-N 3.06Å; Y1118-F1122 VanDerWaalsContact O-N 3.14Å; V1119-F1122 PolarHBondContact O-N 3.4Å; F1122-S1124 PolarHBondContact O-N 3.19Å; F1122-F1125 WeakPolarHBondContact O-CB 3.42Å; F1122-F1125 PolarHBondContact O-N 3.48Å; F1122-V1126 HydrophobicContact CD1-CG2 4.37Å; F1122-V1126 HydrophobicContact CE1-CG2 3.97Å; F1122-V1126 HydrophobicContact CE2-CG2 4.35Å; F1122-V1126 HydrophobicContact CZ-CG2 3.95Å; F1122-V1126 WeakPolarHBondContact O-CG2 3.38Å; F1122-V1126 PolarHBondContact O-N 2.92Å
1123K87.8Confident83Confident9 Ų957.9 Ų57.94%0.03926%0.264CS..Hα-helixtrans-57.4-46.5170.1-74.8174.1175.3176.60111.4D942 F1111 V1119 D1120 F1125 V1126 F1127 Y1281D942-K1123 WeakPolarHBondContact OD1-CE 3.29Å; D942-K1123 IonicContact OD1-NZ 2.64Å; D942-K1123 PolarHBondContact OD1-NZ 3.05Å; D942-K1123 IonicContact OD2-NZ 3.16Å; D942-K1123 PolarHBondContact OD2-NZ 3.06Å; F1111-K1123 HydrophobicContact CB-CD 4.45Å; F1111-K1123 HydrophobicContact CD2-CB 3.76Å; F1111-K1123 HydrophobicContact CE2-CB 3.98Å; F1111-K1123 HydrophobicContact CG-CB 4.29Å; F1111-K1123 HydrophobicContact CG-CD 4.32Å; V1119-K1123 HydrophobicContact CG1-CG 4.46Å; V1119-K1123 WeakPolarHBondContact O-CB 3.36Å; V1119-K1123 WeakPolarHBondContact O-CG 3.48Å; V1119-K1123 PolarHBondContact O-N 3.38Å; D1120-K1123 PolarHBondContact O-N 2.92Å; D1120-K1123 IonicContact OD1-NZ 2.87Å; K1123-F1125 VanDerWaalsContact C-N 3.29Å; K1123-F1125 PolarHBondContact O-N 3.42Å; K1123-V1126 PolarHBondContact O-N 3.31Å; K1123-F1127 HydrophobicContact CB-CD2 3.98Å; K1123-F1127 HydrophobicContact CB-CE2 4.27Å; K1123-F1127 HydrophobicContact CG-CD2 4.36Å; K1123-F1127 HydrophobicContact CG-CE2 4.15Å; K1123-F1127 WeakPolarHBondContact O-CB 3.21Å; K1123-F1127 VanDerWaalsContact O-CD2 3.24Å; K1123-F1127 WeakPolarHBondContact O-CD2 3.13Å; K1123-F1127 PolarHBondContact O-N 3.12Å; K1123-Y1281 HydrophobicContact CD-CD1 4.48Å; K1123-Y1281 HydrophobicContact CD-CE1 4.3Å
1124S85.5Confident83.7Confident11 Ų1155.5 Ų55.58%0.07725%0.252CS..Hα-helixtrans-58.6-41.1175.9-177.50000111.5D1120 Y1121 F1122 H1128D1120-S1124 VanDerWaalsContact O-CB 3.31Å; D1120-S1124 WeakPolarHBondContact O-CB 3.4Å; D1120-S1124 PolarHBondContact O-N 3.2Å; Y1121-S1124 PolarHBondContact O-N 2.83Å; F1122-S1124 PolarHBondContact O-N 3.19Å; S1124-H1128 WeakPolarHBondContact O-CB 3.08Å; S1124-H1128 PolarHBondContact O-N 3.04Å; S1124-H1128 VanDerWaalsContact O-N 3.12Å
1125F85.5Confident84.4Confident112 Ų11253.2 Ų53.249%0.49124%0.237SC..Iπ-helixtrans-61.9-53.1174.2-178.5-103.9000112.5Y1121 F1122 K1123 Y1129 G1130 I1133Y1121-F1125 PolarHBondContact O-N 3.4Å; F1122-F1125 WeakPolarHBondContact O-CB 3.42Å; F1122-F1125 PolarHBondContact O-N 3.48Å; K1123-F1125 VanDerWaalsContact C-N 3.29Å; K1123-F1125 PolarHBondContact O-N 3.42Å; F1125-Y1129 PolarHBondContact O-N 3.19Å; F1125-G1130 PolarHBondContact O-N 3.32Å; F1125-I1133 HydrophobicContact CE1-CD1 4.21Å; F1125-I1133 HydrophobicContact CE2-CD1 4.31Å; F1125-I1133 HydrophobicContact CZ-CD1 3.73Å
1126V87.9Confident84.8Confident42 Ų4251.7 Ų51.726%0.25523%0.232SC..Iπ-helixtrans-65.6-51.2-177175.50000112.4F1122 K1123 G1130 I1276F1122-V1126 HydrophobicContact CD1-CG2 4.37Å; F1122-V1126 HydrophobicContact CE1-CG2 3.97Å; F1122-V1126 HydrophobicContact CE2-CG2 4.35Å; F1122-V1126 HydrophobicContact CZ-CG2 3.95Å; F1122-V1126 WeakPolarHBondContact O-CG2 3.38Å; F1122-V1126 PolarHBondContact O-N 2.92Å; K1123-V1126 PolarHBondContact O-N 3.31Å; V1126-G1130 WeakPolarHBondContact O-CA 3.41Å; V1126-G1130 PolarHBondContact O-N 2.92Å; V1126-I1276 HydrophobicContact CG1-CD1 3.83Å; V1126-I1276 HydrophobicContact CG1-CG1 4.48Å
1127F89.5Confident85.5Confident29 Ų2945 Ų4513%0.12721%0.205CC..Iπ-helixtrans-83.5-33.9-170.4-64.9-67.2000114F1111 K1123 I1276 S1279 Y1281F1111-F1127 HydrophobicContact CZ-CB 4.14Å; F1111-F1127 HydrophobicContact CZ-CD2 4.33Å; K1123-F1127 HydrophobicContact CB-CD2 3.98Å; K1123-F1127 HydrophobicContact CB-CE2 4.27Å; K1123-F1127 HydrophobicContact CG-CD2 4.36Å; K1123-F1127 HydrophobicContact CG-CE2 4.15Å; K1123-F1127 WeakPolarHBondContact O-CB 3.21Å; K1123-F1127 VanDerWaalsContact O-CD2 3.24Å; K1123-F1127 WeakPolarHBondContact O-CD2 3.13Å; K1123-F1127 PolarHBondContact O-N 3.12Å; F1127-I1276 HydrophobicContact CD1-CG1 4.23Å; F1127-I1276 HydrophobicContact CD1-CG2 3.95Å; F1127-I1276 HydrophobicContact CE1-CG1 4.07Å; F1127-I1276 HydrophobicContact CE1-CG2 4.48Å; F1127-S1279 WeakPolarHBondContact CE1-OG 3.24Å; F1127-Y1281 HydrophobicContact CD2-CD2 4.31Å; F1127-Y1281 HydrophobicContact CD2-CG 4.03Å; F1127-Y1281 HydrophobicContact CE1-CD2 4.06Å; F1127-Y1281 HydrophobicContact CE1-CG 4.45Å; F1127-Y1281 AromaticContact CE2-CD2 3.52Å; F1127-Y1281 HydrophobicContact CE2-CD2 3.52Å; F1127-Y1281 HydrophobicContact CE2-CE2 4.31Å; F1127-Y1281 AromaticContact CE2-CG 3.68Å; F1127-Y1281 HydrophobicContact CE2-CG 3.68Å; F1127-Y1281 AromaticContact CZ-CD2 3.38Å; F1127-Y1281 HydrophobicContact CZ-CD2 3.38Å; F1127-Y1281 HydrophobicContact CZ-CE2 4.23Å; F1127-Y1281 AromaticContact CZ-CG 3.93Å; F1127-Y1281 HydrophobicContact CZ-CG 3.93Å
1128H86.1Confident86.2Confident9 Ų943.9 Ų43.94%0.04220%0.198CC..Iπ-helixtrans-91.5-37.7-177.3-172.878.3000112.9S1124 H1131 Y1289S1124-H1128 WeakPolarHBondContact O-CB 3.08Å; S1124-H1128 PolarHBondContact O-N 3.04Å; S1124-H1128 VanDerWaalsContact O-N 3.12Å; H1128-H1131 PolarHBondContact O-CE1 3.48Å; H1128-H1131 PolarHBondContact O-ND1 3.45Å; H1128-Y1289 AromaticContact CE1-CE1 3.38Å; H1128-Y1289 WeakPolarHBondContact CE1-CE1 3.4Å; H1128-Y1289 AromaticContact CE1-CZ 3.79Å; H1128-Y1289 AromaticContact ND1-CE1 3.83Å; H1128-Y1289 AromaticContact ND1-CZ 3.75Å; H1128-Y1289 PolarHBondContact ND1-OH 3.16Å; H1128-Y1289 PolarHBondContact O-OH 2.95Å; H1128-Y1289 VanDerWaalsContact O-OH 3.04Å
1129Y86.9Confident86.7Confident90 Ų9036.6 Ų36.635%0.35317%0.17SC..Iπ-helixtrans-102.4-15.6-178.1-60.9-58.7000114.7F1125 H1131 W1132F1125-Y1129 PolarHBondContact O-N 3.19Å; Y1129-H1131 PolarHBondContact O-N 2.89Å; Y1129-H1131 VanDerWaalsContact O-N 3.13Å; Y1129-W1132 PolarHBondContact O-N 2.82Å
1130G86.9Confident86.8Confident9 Ų938.3 Ų38.39%0.09319%0.185CC..Hα-helixtrans-54.2-34.9-175.800000115.1F1125 V1126 W1132 I1133 T1134F1125-G1130 PolarHBondContact O-N 3.32Å; V1126-G1130 WeakPolarHBondContact O-CA 3.41Å; V1126-G1130 PolarHBondContact O-N 2.92Å; G1130-W1132 VanDerWaalsContact C-N 3.35Å; G1130-W1132 PolarHBondContact O-N 3.41Å; G1130-I1133 WeakPolarHBondContact O-CB 3.47Å; G1130-I1133 PolarHBondContact O-N 3.4Å; G1130-I1133 VanDerWaalsContact O-N 3.13Å; G1130-T1134 WeakPolarHBondContact O-CG2 3.08Å; G1130-T1134 PolarHBondContact O-N 3.19Å
1131H87Confident86.8Confident2 Ų238.7 Ų38.71%0.00919%0.188CC..Hα-helixtrans-63.8-36.8179.173.9-93000113H1128 Y1129 T1134 L1135 Y1168 Y1289H1128-H1131 PolarHBondContact O-CE1 3.48Å; H1128-H1131 PolarHBondContact O-ND1 3.45Å; Y1129-H1131 PolarHBondContact O-N 2.89Å; Y1129-H1131 VanDerWaalsContact O-N 3.13Å; H1131-T1134 PolarHBondContact O-N 2.92Å; H1131-T1134 PolarHBondContact O-OG1 3.44Å; H1131-L1135 PolarHBondContact O-N 3.39Å; H1131-L1135 VanDerWaalsContact O-N 3.14Å; H1131-Y1168 WeakPolarHBondContact CB-OH 3.17Å; H1131-Y1168 AromaticContact CD2-CE2 3.54Å; H1131-Y1168 AromaticContact CD2-CZ 3.86Å; H1131-Y1168 PolarHBondContact CD2-OH 3.03Å; H1131-Y1168 AromaticContact CE1-CE2 3.95Å; H1131-Y1168 AromaticContact CG-CE2 3.91Å; H1131-Y1168 AromaticContact CG-CZ 3.97Å; H1131-Y1168 AromaticContact NE2-CE2 3.55Å; H1131-Y1289 PolarHBondContact CE1-OH 3.11Å; H1131-Y1289 VanDerWaalsContact CE1-OH 3.32Å
1132W87.8Confident87Confident46 Ų4633.5 Ų33.517%0.17417%0.167CC..Hα-helixtrans-63-46.3173.2-67.5103000110Y1129 G1130 T1134 L1135 M1136 L1161 N1165Y1129-W1132 PolarHBondContact O-N 2.82Å; G1130-W1132 VanDerWaalsContact C-N 3.35Å; G1130-W1132 PolarHBondContact O-N 3.41Å; W1132-T1134 VanDerWaalsContact C-N 3.27Å; W1132-T1134 PolarHBondContact O-N 3.02Å; W1132-L1135 WeakPolarHBondContact O-CA 3.38Å; W1132-L1135 WeakPolarHBondContact O-CB 3.49Å; W1132-L1135 PolarHBondContact O-N 2.98Å; W1132-M1136 WeakPolarHBondContact O-CE 3.36Å; W1132-M1136 VanDerWaalsContact O-CG 3.31Å; W1132-M1136 WeakPolarHBondContact O-CG 3.45Å; W1132-M1136 PolarHBondContact O-N 3.31Å; W1132-L1161 HydrophobicContact CE3-CD1 3.89Å; W1132-L1161 HydrophobicContact CZ3-CD1 3.57Å; W1132-L1161 HydrophobicContact CZ3-CG 4.39Å; W1132-N1165 WeakPolarHBondContact CZ2-OD1 3.47Å
1133I87.6Confident87Confident63 Ų6329.3 Ų29.332%0.32315%0.151SC..Hα-helixtrans-56-42.1178.3-57.5175.3000111.1F1125 G1130 L1135 M1136 S1137 F1269F1125-I1133 HydrophobicContact CE1-CD1 4.21Å; F1125-I1133 HydrophobicContact CE2-CD1 4.31Å; F1125-I1133 HydrophobicContact CZ-CD1 3.73Å; G1130-I1133 WeakPolarHBondContact O-CB 3.47Å; G1130-I1133 PolarHBondContact O-N 3.4Å; G1130-I1133 VanDerWaalsContact O-N 3.13Å; I1133-L1135 PolarHBondContact O-N 2.82Å; I1133-M1136 WeakPolarHBondContact O-CB 3.1Å; I1133-M1136 PolarHBondContact O-N 3.48Å; I1133-M1136 VanDerWaalsContact O-N 3.13Å; I1133-S1137 PolarHBondContact O-N 2.96Å; I1133-F1269 HydrophobicContact CG2-CE1 4.12Å
1134T90.1Very high86.6Confident4 Ų430.9 Ų30.93%0.02517%0.165CC..Hα-helixtrans-68-33.3177.662.40000113.6G1130 H1131 W1132 S1137 T1138 W1184 F1269 Q1273G1130-T1134 WeakPolarHBondContact O-CG2 3.08Å; G1130-T1134 PolarHBondContact O-N 3.19Å; H1131-T1134 PolarHBondContact O-N 2.92Å; H1131-T1134 PolarHBondContact O-OG1 3.44Å; W1132-T1134 VanDerWaalsContact C-N 3.27Å; W1132-T1134 PolarHBondContact O-N 3.02Å; T1134-S1137 PolarHBondContact O-N 3.35Å; T1134-T1138 PolarHBondContact O-N 3.07Å; T1134-T1138 VanDerWaalsContact O-N 3.11Å; T1134-T1138 PolarHBondContact O-OG1 3.18Å; T1134-W1184 VanDerWaalsContact OG1-CH2 3.25Å; T1134-W1184 WeakPolarHBondContact OG1-CH2 3.41Å; T1134-F1269 HydrophobicContact CG2-CB 3.89Å; T1134-F1269 HydrophobicContact CG2-CD1 4.16Å; T1134-F1269 HydrophobicContact CG2-CG 4.44Å; T1134-Q1273 HydrophobicContact CG2-CB 3.68Å; T1134-Q1273 HydrophobicContact CG2-CG 3.95Å
1135L88.8Confident86Confident7 Ų730.9 Ų30.94%0.03717%0.167CC..Hα-helixtrans-67.9-34.5169.7-67.4177.1000111.8H1131 W1132 I1133 T1138 L1139 M1160 L1161 W1184H1131-L1135 PolarHBondContact O-N 3.39Å; H1131-L1135 VanDerWaalsContact O-N 3.14Å; W1132-L1135 WeakPolarHBondContact O-CA 3.38Å; W1132-L1135 WeakPolarHBondContact O-CB 3.49Å; W1132-L1135 PolarHBondContact O-N 2.98Å; I1133-L1135 PolarHBondContact O-N 2.82Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.39Å; L1135-T1138 PolarHBondContact O-OG1 3.19Å; L1135-L1139 WeakPolarHBondContact O-CB 3.11Å; L1135-L1139 PolarHBondContact O-N 3.12Å; L1135-M1160 HydrophobicContact CD1-CB 4.29Å; L1135-M1160 HydrophobicContact CD2-CB 3.81Å; L1135-M1160 HydrophobicContact CD2-CG 4.4Å; L1135-L1161 HydrophobicContact CD1-CD1 4.42Å; L1135-W1184 HydrophobicContact CD2-CH2 3.71Å; L1135-W1184 HydrophobicContact CD2-CZ2 4.21Å; L1135-W1184 HydrophobicContact CD2-CZ3 4.39Å; L1135-W1184 HydrophobicContact CG-CH2 3.93Å; L1135-W1184 HydrophobicContact CG-CZ2 4.39Å
1136M85.2Confident85.6Confident56 Ų5626.6 Ų26.628%0.27615%0.15SC..Hα-helixtrans-64.5-44.4173.5-48-58.78100110.7W1132 I1133 T1138 L1139 A1140 L1161 F1678W1132-M1136 WeakPolarHBondContact O-CE 3.36Å; W1132-M1136 VanDerWaalsContact O-CG 3.31Å; W1132-M1136 WeakPolarHBondContact O-CG 3.45Å; W1132-M1136 PolarHBondContact O-N 3.31Å; I1133-M1136 WeakPolarHBondContact O-CB 3.1Å; I1133-M1136 PolarHBondContact O-N 3.48Å; I1133-M1136 VanDerWaalsContact O-N 3.13Å; M1136-T1138 VanDerWaalsContact C-N 3.33Å; M1136-T1138 PolarHBondContact O-N 2.98Å; M1136-L1139 PolarHBondContact O-N 3.44Å; M1136-A1140 WeakPolarHBondContact O-CB 3.3Å; M1136-A1140 PolarHBondContact O-N 3.22Å; M1136-L1161 HydrophobicContact CE-CD1 4.11Å; M1136-F1678 HydrophobicContact CE-CD1 3.82Å; M1136-F1678 HydrophobicContact CE-CE1 3.17Å; M1136-F1678 HydrophobicContact CE-CE2 4.32Å; M1136-F1678 HydrophobicContact CE-CZ 3.44Å; M1136-F1678 VanDerWaalsContact CE-CZ 3.44Å; M1136-F1678 HydrophobicContact SD-CD1 3.74Å; M1136-F1678 HydrophobicContact SD-CD2 3.9Å; M1136-F1678 HydrophobicContact SD-CE1 3.42Å; M1136-F1678 WeakPolarHBondContact SD-CE1 3.12Å; M1136-F1678 HydrophobicContact SD-CE2 3.54Å; M1136-F1678 VanDerWaalsContact SD-CE2 3.54Å; M1136-F1678 HydrophobicContact SD-CG 3.99Å; M1136-F1678 HydrophobicContact SD-CZ 3.28Å; M1136-F1678 WeakPolarHBondContact SD-CZ 3.15Å
1137S88.2Confident85.5Confident18 Ų1824.8 Ų24.813%0.12614%0.139CC..Hα-helixtrans-63.9-37.3-179.8-1740000112.7I1133 T1134 A1141 F1269I1133-S1137 PolarHBondContact O-N 2.96Å; T1134-S1137 PolarHBondContact O-N 3.35Å; S1137-A1141 PolarHBondContact O-N 2.83Å; S1137-F1269 VanDerWaalsContact OG-CD2 3.28Å; S1137-F1269 WeakPolarHBondContact OG-CD2 3.23Å
1138T89.3Confident85.3Confident1 Ų126.6 Ų26.61%0.00615%0.149CC..Hα-helixtrans-76.2-33.3177.241.40000111.8T1134 L1135 M1136 A1141 G1142 T1157 L1187 A1266 L1270T1134-T1138 PolarHBondContact O-N 3.07Å; T1134-T1138 VanDerWaalsContact O-N 3.11Å; T1134-T1138 PolarHBondContact O-OG1 3.18Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.39Å; L1135-T1138 PolarHBondContact O-OG1 3.19Å; M1136-T1138 VanDerWaalsContact C-N 3.33Å; M1136-T1138 PolarHBondContact O-N 2.98Å; T1138-A1141 PolarHBondContact O-N 3.04Å; T1138-G1142 PolarHBondContact O-N 3.4Å; T1138-T1157 WeakPolarHBondContact OG1-CG2 3.44Å; T1138-L1187 HydrophobicContact CG2-CD2 4.23Å; T1138-A1266 HydrophobicContact CG2-CB 4.08Å; T1138-L1270 HydrophobicContact CG2-CD1 4.25Å; T1138-L1270 HydrophobicContact CG2-CD2 4.41Å; T1138-L1270 HydrophobicContact CG2-CG 4.37Å
1139L89Confident85.4Confident10 Ų1027 Ų275%0.05215%0.151CC..Hα-helixtrans-67.5-41.2171.3-172.573.9000110.5L1135 M1136 A1141 G1142 I1143 I1154 T1157 I1674 F1678L1135-L1139 WeakPolarHBondContact O-CB 3.11Å; L1135-L1139 PolarHBondContact O-N 3.12Å; M1136-L1139 PolarHBondContact O-N 3.44Å; L1139-A1141 VanDerWaalsContact C-N 3.32Å; L1139-A1141 PolarHBondContact O-N 3.19Å; L1139-G1142 CarbonylContact O-C 3.57Å; L1139-G1142 WeakPolarHBondContact O-CA 3.49Å; L1139-G1142 PolarHBondContact O-N 3.44Å; L1139-I1143 HydrophobicContact CD2-CD1 3.96Å; L1139-I1143 HydrophobicContact CG-CD1 3.66Å; L1139-I1143 HydrophobicContact CG-CG1 4.26Å; L1139-I1143 WeakPolarHBondContact O-CD1 3.44Å; L1139-I1143 VanDerWaalsContact O-CG1 3.29Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.47Å; L1139-I1143 PolarHBondContact O-N 3.26Å; L1139-I1154 HydrophobicContact CD1-CB 4.5Å; L1139-I1154 HydrophobicContact CD1-CG1 4.22Å; L1139-I1154 HydrophobicContact CD1-CG2 4.45Å; L1139-T1157 HydrophobicContact CB-CG2 4.38Å; L1139-T1157 WeakPolarHBondContact CD1-OG1 3.4Å; L1139-I1674 HydrophobicContact CD2-CG2 4.06Å; L1139-F1678 HydrophobicContact CD2-CE1 4.15Å; L1139-F1678 HydrophobicContact CD2-CE2 4.11Å; L1139-F1678 HydrophobicContact CD2-CZ 3.4Å
1140A84.6Confident85.4Confident42 Ų4222.9 Ų22.935%0.34714%0.136SC..Hα-helixtrans-58-41.7176.500000112.4M1136 G1142 I1143 A1144M1136-A1140 WeakPolarHBondContact O-CB 3.3Å; M1136-A1140 PolarHBondContact O-N 3.22Å; A1140-G1142 PolarHBondContact O-N 2.72Å; A1140-I1143 PolarHBondContact O-N 2.97Å; A1140-I1143 VanDerWaalsContact O-N 3.15Å; A1140-A1144 WeakPolarHBondContact O-CB 3.36Å; A1140-A1144 PolarHBondContact O-N 3.35Å
1141A84.8Confident85.5Confident8 Ų824.5 Ų24.57%0.06614%0.142CC..Hα-helixtrans-62.2-30.117200000113.2S1137 T1138 L1139 Y1153 F1262 A1266S1137-A1141 PolarHBondContact O-N 2.83Å; T1138-A1141 PolarHBondContact O-N 3.04Å; L1139-A1141 VanDerWaalsContact C-N 3.32Å; L1139-A1141 PolarHBondContact O-N 3.19Å; A1141-Y1153 HydrophobicContact CB-CD2 4.12Å; A1141-Y1153 HydrophobicContact CB-CE2 4.1Å; A1141-F1262 HydrophobicContact CB-CB 4.16Å; A1141-A1266 HydrophobicContact CB-CB 4.33Å
1142G84.3Confident85.5Confident0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-79.6-18.8172.700000115.6T1138 L1139 A1140 A1150 I1154T1138-G1142 PolarHBondContact O-N 3.4Å; L1139-G1142 CarbonylContact O-C 3.57Å; L1139-G1142 WeakPolarHBondContact O-CA 3.49Å; L1139-G1142 PolarHBondContact O-N 3.44Å; A1140-G1142 PolarHBondContact O-N 2.72Å; G1142-A1150 WeakPolarHBondContact CA-O 3.5Å; G1142-A1150 WeakPolarHBondContact O-CB 3.3Å; G1142-I1154 WeakPolarHBondContact O-CD1 3.49Å
1143I84.1Confident85.7Confident48 Ų4823 Ų2325%0.24614%0.141CC..Hα-helixtrans-93.3-28178.2-60.9150.6000111.4L1139 A1140 G1145 I1674L1139-I1143 HydrophobicContact CD2-CD1 3.96Å; L1139-I1143 HydrophobicContact CG-CD1 3.66Å; L1139-I1143 HydrophobicContact CG-CG1 4.26Å; L1139-I1143 WeakPolarHBondContact O-CD1 3.44Å; L1139-I1143 VanDerWaalsContact O-CG1 3.29Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.47Å; L1139-I1143 PolarHBondContact O-N 3.26Å; A1140-I1143 PolarHBondContact O-N 2.97Å; A1140-I1143 VanDerWaalsContact O-N 3.15Å; I1143-G1145 PolarHBondContact O-N 3.21Å; I1143-G1145 VanDerWaalsContact O-N 3.08Å; I1143-I1674 HydrophobicContact CD1-CD1 3.28Å; I1143-I1674 HydrophobicContact CD1-CG1 4.06Å; I1143-I1674 HydrophobicContact CD1-CG2 4.37Å; I1143-I1674 HydrophobicContact CG1-CD1 3.76Å; I1143-I1674 HydrophobicContact CG2-CD1 3.95Å
1144A79Confident85.7Confident42 Ų4220.3 Ų20.335%0.34713%0.127SC..SBendtrans-69-2.4-173.800000115.3A1140 F1262A1140-A1144 WeakPolarHBondContact O-CB 3.36Å; A1140-A1144 PolarHBondContact O-N 3.35Å; A1144-F1262 HydrophobicContact CB-CD1 4.35Å; A1144-F1262 HydrophobicContact CB-CD2 3.55Å; A1144-F1262 HydrophobicContact CB-CE1 4.41Å; A1144-F1262 HydrophobicContact CB-CE2 3.62Å; A1144-F1262 HydrophobicContact CB-CG 3.94Å; A1144-F1262 HydrophobicContact CB-CZ 4.07Å
1145G74Confident85.6Confident10 Ų1024.6 Ų24.610%0.10315%0.149CC..  trans-161.5163.1174.300000111.7I1143 A1150 F1632I1143-G1145 PolarHBondContact O-N 3.21Å; I1143-G1145 VanDerWaalsContact O-N 3.08Å; G1145-A1150 WeakPolarHBondContact O-CB 3.39Å; G1145-F1632 WeakPolarHBondContact O-CE2 3.3Å
1146T77.6Confident85.7Confident22 Ų2228.3 Ų28.314%0.13517%0.165CC..  trans-100.35.4-176.168.20000114.3E1257 Q1635 F1636T1146-E1257 WeakPolarHBondContact CA-OE1 3.47Å; T1146-E1257 WeakPolarHBondContact CB-OE1 3.49Å; T1146-E1257 PolarHBondContact N-OE1 2.81Å; T1146-E1257 PolarHBondContact N-OE2 3.44Å; T1146-E1257 PolarHBondContact OG1-OE1 2.86Å; T1146-Q1635 HydrophobicContact CG2-CB 3.66Å; T1146-Q1635 HydrophobicContact CG2-CG 4.36Å; T1146-F1636 WeakPolarHBondContact O-CE1 3.32Å; T1146-F1636 WeakPolarHBondContact O-CZ 3.48Å
1147S84Confident85.9Confident4 Ų425.8 Ų25.83%0.02815%0.153CC..SBendtrans-62.7161.4175.669.30000115.8F1149 A1150 L1151 E1257S1147-F1149 PolarHBondContact O-N 3.05Å; S1147-A1150 WeakPolarHBondContact O-CB 3.3Å; S1147-A1150 PolarHBondContact O-N 3.19Å; S1147-A1150 PolarHBondContact OG-N 3.38Å; S1147-L1151 PolarHBondContact O-N 2.82Å; S1147-E1257 WeakPolarHBondContact CB-OE2 3.33Å; S1147-E1257 PolarHBondContact N-OE2 2.92Å
1148L86.1Confident85.8Confident67 Ų6726.2 Ų26.235%0.35115%0.153SC..Hα-helixtrans-56.5-34.4171.1-171.668.8000112.8A1150 L1151 G1152 L1228 F1229L1148-A1150 VanDerWaalsContact C-N 3.27Å; L1148-A1150 PolarHBondContact O-N 2.85Å; L1148-L1151 HydrophobicContact CD1-CD2 4.19Å; L1148-L1151 WeakPolarHBondContact O-CB 3.48Å; L1148-L1151 PolarHBondContact O-N 3.46Å; L1148-G1152 PolarHBondContact O-N 3.45Å; L1148-L1228 HydrophobicContact CB-CD2 4.42Å; L1148-L1228 HydrophobicContact CB-CG 4.21Å; L1148-L1228 HydrophobicContact CD2-CD2 4.04Å; L1148-L1228 PolarHBondContact N-O 3.24Å; L1148-F1229 HydrophobicContact CD2-CE1 3.88Å; L1148-F1229 HydrophobicContact CD2-CZ 4.13Å
1149F88.6Confident85.7Confident17 Ų1730 Ų308%0.07518%0.177CC..Hα-helixtrans-63.2-36.3176.6-59.9-61.3000111.7S1147 G1152 Y1153 Y1190 T1194 M1197 L1201 F1229S1147-F1149 PolarHBondContact O-N 3.05Å; F1149-G1152 PolarHBondContact O-N 3.14Å; F1149-Y1153 PolarHBondContact O-N 2.95Å; F1149-Y1190 WeakPolarHBondContact CA-OH 3.32Å; F1149-Y1190 PolarHBondContact O-OH 3.09Å; F1149-T1194 HydrophobicContact CB-CG2 4.06Å; F1149-T1194 HydrophobicContact CD1-CG2 3.91Å; F1149-T1194 HydrophobicContact CG-CG2 4.27Å; F1149-M1197 HydrophobicContact CE1-CB 4.39Å; F1149-M1197 HydrophobicContact CZ-CB 4.21Å; F1149-L1201 HydrophobicContact CE2-CD1 4.07Å; F1149-L1201 HydrophobicContact CZ-CD1 4.08Å; F1149-F1229 AromaticContact CE2-CD1 3.99Å; F1149-F1229 HydrophobicContact CE2-CD1 3.99Å; F1149-F1229 AromaticContact CZ-CD1 3.86Å; F1149-F1229 HydrophobicContact CZ-CD1 3.86Å; F1149-F1229 HydrophobicContact CZ-CE1 4.35Å
1150A86.9Confident85.6Confident4 Ų430.1 Ų30.13%0.03318%0.177CC..Hα-helixtrans-70.5-40.6178.100000112G1142 G1145 S1147 L1148 G1152 Y1153 I1154 F1632G1142-A1150 WeakPolarHBondContact CA-O 3.5Å; G1142-A1150 WeakPolarHBondContact O-CB 3.3Å; G1145-A1150 WeakPolarHBondContact O-CB 3.39Å; S1147-A1150 WeakPolarHBondContact O-CB 3.3Å; S1147-A1150 PolarHBondContact O-N 3.19Å; S1147-A1150 PolarHBondContact OG-N 3.38Å; L1148-A1150 VanDerWaalsContact C-N 3.27Å; L1148-A1150 PolarHBondContact O-N 2.85Å; A1150-G1152 VanDerWaalsContact C-N 3.27Å; A1150-G1152 PolarHBondContact O-N 3.32Å; A1150-Y1153 WeakPolarHBondContact O-CB 3.48Å; A1150-Y1153 PolarHBondContact O-N 2.96Å; A1150-Y1153 VanDerWaalsContact O-N 3.12Å; A1150-I1154 PolarHBondContact O-N 3Å; A1150-I1154 VanDerWaalsContact O-N 3.16Å; A1150-F1632 HydrophobicContact CB-CE2 4.38Å; A1150-F1632 HydrophobicContact CB-CZ 4.25Å
1151L87.9Confident85.7Confident44 Ų4428.3 Ų28.323%0.2316%0.162CC..Hα-helixtrans-54.9-42.3172.2-175.574.7000112S1147 L1148 Y1153 I1154 I1155 F1632S1147-L1151 PolarHBondContact O-N 2.82Å; L1148-L1151 HydrophobicContact CD1-CD2 4.19Å; L1148-L1151 WeakPolarHBondContact O-CB 3.48Å; L1148-L1151 PolarHBondContact O-N 3.46Å; L1151-Y1153 VanDerWaalsContact C-N 3.34Å; L1151-Y1153 PolarHBondContact O-N 2.92Å; L1151-I1154 PolarHBondContact O-N 3.31Å; L1151-I1154 VanDerWaalsContact O-N 3.17Å; L1151-I1155 HydrophobicContact CD2-CD1 4.3Å; L1151-I1155 HydrophobicContact CG-CD1 3.96Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.35Å; L1151-I1155 PolarHBondContact O-N 3.23Å; L1151-F1632 HydrophobicContact CB-CE1 3.91Å; L1151-F1632 HydrophobicContact CB-CZ 4.14Å; L1151-F1632 HydrophobicContact CD1-CD1 3.94Å; L1151-F1632 HydrophobicContact CD1-CE1 3.78Å; L1151-F1632 HydrophobicContact CG-CE1 4.43Å
1152G88.6Confident85.7Confident14 Ų1433.5 Ų33.514%0.14418%0.18CC..Hα-helixtrans-60.7-40177.800000113.1L1148 F1149 A1150 I1155 F1156 Y1190L1148-G1152 PolarHBondContact O-N 3.45Å; F1149-G1152 PolarHBondContact O-N 3.14Å; A1150-G1152 VanDerWaalsContact C-N 3.27Å; A1150-G1152 PolarHBondContact O-N 3.32Å; G1152-I1155 PolarHBondContact O-N 3.47Å; G1152-F1156 WeakPolarHBondContact O-CD2 3.4Å; G1152-F1156 PolarHBondContact O-N 3.26Å; G1152-Y1190 WeakPolarHBondContact CA-OH 3.32Å
1153Y90.4Very high85.6Confident2 Ų234.6 Ų34.61%0.00819%0.188CC..Hα-helixtrans-62.5-43.9172.5-69.8-53.4000112.3A1141 F1149 A1150 L1151 I1155 F1156 T1157 L1187 Y1190 T1191 T1194 D1263A1141-Y1153 HydrophobicContact CB-CD2 4.12Å; A1141-Y1153 HydrophobicContact CB-CE2 4.1Å; F1149-Y1153 PolarHBondContact O-N 2.95Å; A1150-Y1153 WeakPolarHBondContact O-CB 3.48Å; A1150-Y1153 PolarHBondContact O-N 2.96Å; A1150-Y1153 VanDerWaalsContact O-N 3.12Å; L1151-Y1153 VanDerWaalsContact C-N 3.34Å; L1151-Y1153 PolarHBondContact O-N 2.92Å; Y1153-I1155 VanDerWaalsContact C-N 3.35Å; Y1153-I1155 PolarHBondContact O-N 2.97Å; Y1153-F1156 PolarHBondContact O-N 2.97Å; Y1153-T1157 WeakPolarHBondContact O-CB 3.32Å; Y1153-T1157 VanDerWaalsContact O-CG2 3.28Å; Y1153-T1157 WeakPolarHBondContact O-CG2 3.41Å; Y1153-T1157 PolarHBondContact O-N 3.3Å; Y1153-T1157 PolarHBondContact O-OG1 3.45Å; Y1153-L1187 HydrophobicContact CD1-CD1 4.48Å; Y1153-Y1190 AromaticContact CD1-CD1 3.72Å; Y1153-Y1190 HydrophobicContact CD1-CD1 3.72Å; Y1153-Y1190 AromaticContact CD1-CE1 3.63Å; Y1153-Y1190 HydrophobicContact CD1-CE1 3.63Å; Y1153-Y1190 HydrophobicContact CD2-CE1 4.38Å; Y1153-Y1190 AromaticContact CE1-CD1 3.48Å; Y1153-Y1190 HydrophobicContact CE1-CD1 3.48Å; Y1153-Y1190 VanDerWaalsContact CE1-CD1 3.48Å; Y1153-Y1190 AromaticContact CE1-CE1 3.61Å; Y1153-Y1190 HydrophobicContact CE1-CE1 3.61Å; Y1153-Y1190 HydrophobicContact CE2-CE1 4.38Å; Y1153-Y1190 HydrophobicContact CG-CE1 4.02Å; Y1153-T1191 HydrophobicContact CE1-CG2 3.59Å; Y1153-T1194 PolarHBondContact OH-OG1 3.37Å; Y1153-D1263 WeakPolarHBondContact CE2-OD1 3.41Å; Y1153-D1263 VanDerWaalsContact CZ-OD1 3.26Å; Y1153-D1263 PolarHBondContact OH-OD1 3.02Å
1154I88.6Confident85.3Confident7 Ų732.9 Ų32.94%0.03618%0.181CC..Hα-helixtrans-59.1-46.6177.1-63.6174000110.2L1139 G1142 A1150 L1151 T1157 L1158 F1632L1139-I1154 HydrophobicContact CD1-CB 4.5Å; L1139-I1154 HydrophobicContact CD1-CG1 4.22Å; L1139-I1154 HydrophobicContact CD1-CG2 4.45Å; G1142-I1154 WeakPolarHBondContact O-CD1 3.49Å; A1150-I1154 PolarHBondContact O-N 3Å; A1150-I1154 VanDerWaalsContact O-N 3.16Å; L1151-I1154 PolarHBondContact O-N 3.31Å; L1151-I1154 VanDerWaalsContact O-N 3.17Å; I1154-T1157 PolarHBondContact O-N 2.96Å; I1154-T1157 PolarHBondContact O-OG1 3.26Å; I1154-T1157 VanDerWaalsContact O-OG1 3.1Å; I1154-L1158 HydrophobicContact CG2-CD1 3.65Å; I1154-L1158 HydrophobicContact CG2-CG 4.12Å; I1154-L1158 WeakPolarHBondContact O-CB 3.07Å; I1154-L1158 VanDerWaalsContact O-CG 3.29Å; I1154-L1158 WeakPolarHBondContact O-CG 3.48Å; I1154-L1158 PolarHBondContact O-N 2.99Å; I1154-F1632 HydrophobicContact CD1-CD2 3.52Å; I1154-F1632 HydrophobicContact CD1-CE2 3.63Å; I1154-F1632 HydrophobicContact CD1-CG 4.16Å; I1154-F1632 HydrophobicContact CD1-CZ 4.35Å
1155I88.9Confident85.3Confident94 Ų9431.9 Ų31.948%0.48217%0.17SC..Hα-helixtrans-63.3-48.5-180-67168.9000111.6L1151 G1152 Y1153 T1157 T1159L1151-I1155 HydrophobicContact CD2-CD1 4.3Å; L1151-I1155 HydrophobicContact CG-CD1 3.96Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.35Å; L1151-I1155 PolarHBondContact O-N 3.23Å; G1152-I1155 PolarHBondContact O-N 3.47Å; Y1153-I1155 VanDerWaalsContact C-N 3.35Å; Y1153-I1155 PolarHBondContact O-N 2.97Å; I1155-T1157 VanDerWaalsContact C-N 3.35Å; I1155-T1157 PolarHBondContact O-N 3.15Å; I1155-T1159 VanDerWaalsContact O-CB 3.3Å; I1155-T1159 WeakPolarHBondContact O-CB 3.24Å; I1155-T1159 PolarHBondContact O-N 3.22Å; I1155-T1159 PolarHBondContact O-OG1 3.36Å
1156F89.6Confident85.5Confident84 Ų8435.7 Ų35.737%0.36819%0.188SC..Hα-helixtrans-62.4-42.4178.6-81.7-61.2000112G1152 Y1153 M1160 L1187 Y1190G1152-F1156 WeakPolarHBondContact O-CD2 3.4Å; G1152-F1156 PolarHBondContact O-N 3.26Å; Y1153-F1156 PolarHBondContact O-N 2.97Å; F1156-M1160 VanDerWaalsContact O-CG 3.25Å; F1156-M1160 WeakPolarHBondContact O-CG 3.45Å; F1156-M1160 PolarHBondContact O-N 3.38Å; F1156-L1187 HydrophobicContact CB-CD1 4.09Å; F1156-L1187 HydrophobicContact CG-CD1 4.43Å; F1156-Y1190 HydrophobicContact CD2-CD1 4.34Å; F1156-Y1190 HydrophobicContact CD2-CG 4.31Å; F1156-Y1190 HydrophobicContact CE2-CD1 4.42Å; F1156-Y1190 AromaticContact CE2-CD2 3.94Å; F1156-Y1190 HydrophobicContact CE2-CD2 3.94Å; F1156-Y1190 HydrophobicContact CE2-CE2 4.39Å; F1156-Y1190 AromaticContact CE2-CG 3.97Å; F1156-Y1190 HydrophobicContact CE2-CG 3.97Å
1157T88.8Confident85.5Confident4 Ų435.2 Ų35.23%0.02519%0.185CC..Hα-helixtrans-71.3-46.3-178.152.30000112.4T1138 L1139 Y1153 I1154 I1155 T1159 M1160 L1161T1138-T1157 WeakPolarHBondContact OG1-CG2 3.44Å; L1139-T1157 HydrophobicContact CB-CG2 4.38Å; L1139-T1157 WeakPolarHBondContact CD1-OG1 3.4Å; Y1153-T1157 WeakPolarHBondContact O-CB 3.32Å; Y1153-T1157 VanDerWaalsContact O-CG2 3.28Å; Y1153-T1157 WeakPolarHBondContact O-CG2 3.41Å; Y1153-T1157 PolarHBondContact O-N 3.3Å; Y1153-T1157 PolarHBondContact O-OG1 3.45Å; I1154-T1157 PolarHBondContact O-N 2.96Å; I1154-T1157 PolarHBondContact O-OG1 3.26Å; I1154-T1157 VanDerWaalsContact O-OG1 3.1Å; I1155-T1157 VanDerWaalsContact C-N 3.35Å; I1155-T1157 PolarHBondContact O-N 3.15Å; T1157-T1159 VanDerWaalsContact C-N 3.3Å; T1157-T1159 PolarHBondContact O-N 3.02Å; T1157-M1160 PolarHBondContact O-N 3.09Å; T1157-L1161 VanDerWaalsContact O-CB 3.22Å; T1157-L1161 WeakPolarHBondContact O-CB 3.25Å; T1157-L1161 PolarHBondContact O-N 3.45Å
1158L87.6Confident85.4Confident26 Ų2635.2 Ų35.214%0.13618%0.184CC..Hα-helixtrans-58.8-41.3174.1-69.6178.7000111.7I1154 M1160 L1161 W1162 E1625 L1677I1154-L1158 HydrophobicContact CG2-CD1 3.65Å; I1154-L1158 HydrophobicContact CG2-CG 4.12Å; I1154-L1158 WeakPolarHBondContact O-CB 3.07Å; I1154-L1158 VanDerWaalsContact O-CG 3.29Å; I1154-L1158 WeakPolarHBondContact O-CG 3.48Å; I1154-L1158 PolarHBondContact O-N 2.99Å; L1158-M1160 PolarHBondContact O-N 3.3Å; L1158-L1161 PolarHBondContact O-N 2.94Å; L1158-W1162 WeakPolarHBondContact O-CB 3.46Å; L1158-W1162 PolarHBondContact O-N 3Å; L1158-E1625 HydrophobicContact CD2-CG 4.39Å; L1158-L1677 HydrophobicContact CD2-CD2 3.81Å
1159T86.6Confident84.8Confident82 Ų8232.7 Ų32.750%0.50317%0.172SC..Hα-helixtrans-62.1-42.9176.5-57.30000112.1I1155 T1157 S1163I1155-T1159 VanDerWaalsContact O-CB 3.3Å; I1155-T1159 WeakPolarHBondContact O-CB 3.24Å; I1155-T1159 PolarHBondContact O-N 3.22Å; I1155-T1159 PolarHBondContact O-OG1 3.36Å; T1157-T1159 VanDerWaalsContact C-N 3.3Å; T1157-T1159 PolarHBondContact O-N 3.02Å; T1159-S1163 PolarHBondContact O-N 3.13Å
1160M87.7Confident83.9Confident11 Ų1132.4 Ų32.45%0.05417%0.17CC..Hα-helixtrans-68.4-42.9175.6-69.3-72.7-120.500111.5L1135 F1156 T1157 L1158 W1162 S1163 G1164 L1167 R1183 W1184L1135-M1160 HydrophobicContact CD1-CB 4.29Å; L1135-M1160 HydrophobicContact CD2-CB 3.81Å; L1135-M1160 HydrophobicContact CD2-CG 4.4Å; F1156-M1160 VanDerWaalsContact O-CG 3.25Å; F1156-M1160 WeakPolarHBondContact O-CG 3.45Å; F1156-M1160 PolarHBondContact O-N 3.38Å; T1157-M1160 PolarHBondContact O-N 3.09Å; L1158-M1160 PolarHBondContact O-N 3.3Å; M1160-W1162 PolarHBondContact O-N 2.99Å; M1160-S1163 PolarHBondContact O-N 3.11Å; M1160-S1163 VanDerWaalsContact O-N 3.14Å; M1160-S1163 PolarHBondContact O-OG 2.04Å; M1160-G1164 PolarHBondContact O-N 3.47Å; M1160-L1167 HydrophobicContact CE-CD2 4.11Å; M1160-L1167 HydrophobicContact SD-CD2 3.65Å; M1160-R1183 HydrophobicContact CE-CB 3.68Å; M1160-R1183 HydrophobicContact SD-CB 4.2Å; M1160-W1184 HydrophobicContact CE-CD2 4.06Å; M1160-W1184 HydrophobicContact CE-CG 4.12Å
1161L85.7Confident82.9Confident5 Ų536 Ų363%0.02619%0.189CC..Hα-helixtrans-62.3-42.4180-158.876.8000111.9W1132 L1135 M1136 T1157 L1158 S1163 G1164 L1677 F1678 F1681W1132-L1161 HydrophobicContact CE3-CD1 3.89Å; W1132-L1161 HydrophobicContact CZ3-CD1 3.57Å; W1132-L1161 HydrophobicContact CZ3-CG 4.39Å; L1135-L1161 HydrophobicContact CD1-CD1 4.42Å; M1136-L1161 HydrophobicContact CE-CD1 4.11Å; T1157-L1161 VanDerWaalsContact O-CB 3.22Å; T1157-L1161 WeakPolarHBondContact O-CB 3.25Å; T1157-L1161 PolarHBondContact O-N 3.45Å; L1158-L1161 PolarHBondContact O-N 2.94Å; L1161-S1163 VanDerWaalsContact C-N 3.28Å; L1161-S1163 PolarHBondContact O-N 2.95Å; L1161-G1164 PolarHBondContact O-N 3.05Å; L1161-L1677 HydrophobicContact CD2-CD2 4.39Å; L1161-F1678 HydrophobicContact CD1-CE1 4.27Å; L1161-F1678 HydrophobicContact CD2-CD1 4.37Å; L1161-F1678 HydrophobicContact CD2-CE1 4.01Å; L1161-F1681 HydrophobicContact CB-CZ 4.43Å; L1161-F1681 HydrophobicContact CD2-CD1 4.37Å; L1161-F1681 HydrophobicContact CD2-CD2 3.49Å; L1161-F1681 VanDerWaalsContact CD2-CD2 3.49Å; L1161-F1681 HydrophobicContact CD2-CE1 4.37Å; L1161-F1681 HydrophobicContact CD2-CE2 3.49Å; L1161-F1681 VanDerWaalsContact CD2-CE2 3.49Å; L1161-F1681 HydrophobicContact CD2-CG 3.96Å; L1161-F1681 HydrophobicContact CD2-CZ 3.96Å; L1161-F1681 HydrophobicContact CG-CD1 4.02Å; L1161-F1681 HydrophobicContact CG-CD2 4.05Å; L1161-F1681 HydrophobicContact CG-CE1 4.03Å; L1161-F1681 HydrophobicContact CG-CE2 4.06Å; L1161-F1681 HydrophobicContact CG-CG 4.03Å; L1161-F1681 HydrophobicContact CG-CZ 4.05Å; L1161-F1681 VanDerWaalsContact O-CE1 3.3Å; L1161-F1681 WeakPolarHBondContact O-CE1 3.29Å
1162W84.8Confident81.6Confident116 Ų11635.9 Ų35.944%0.43919%0.192SC..Hα-helixtrans-58.6-39.6173.9-174.7-100.1000112.1L1158 M1160 I1621 T1622 F1681 R1684L1158-W1162 WeakPolarHBondContact O-CB 3.46Å; L1158-W1162 PolarHBondContact O-N 3Å; M1160-W1162 PolarHBondContact O-N 2.99Å; W1162-I1621 HydrophobicContact CZ3-CG2 4.1Å; W1162-T1622 HydrophobicContact CH2-CG2 4.48Å; W1162-F1681 HydrophobicContact CE3-CZ 4.33Å; W1162-R1684 VanDerWaalsContact CZ3-NH1 3.32Å; W1162-R1684 PolarHBondContact O-NH2 2.83Å
1163S81.6Confident80.4Confident24 Ų2440 Ų4017%0.16821%0.214CC..Hα-helixtrans-71.3-41.5176.177.10000112.7T1159 M1160 L1161 N1166T1159-S1163 PolarHBondContact O-N 3.13Å; M1160-S1163 PolarHBondContact O-N 3.11Å; M1160-S1163 VanDerWaalsContact O-N 3.14Å; M1160-S1163 PolarHBondContact O-OG 2.04Å; L1161-S1163 VanDerWaalsContact C-N 3.28Å; L1161-S1163 PolarHBondContact O-N 2.95Å; S1163-N1166 WeakPolarHBondContact O-CB 3.39Å; S1163-N1166 PolarHBondContact O-N 3.18Å
1164G77.6Confident78.8Confident11 Ų1144.6 Ų44.611%0.11324%0.239CC..G310 helixtrans53.3-141.9176.600000113.3M1160 L1161 N1166 L1167M1160-G1164 PolarHBondContact O-N 3.47Å; L1161-G1164 PolarHBondContact O-N 3.05Å; G1164-N1166 PolarHBondContact O-N 3.5Å; G1164-L1167 VanDerWaalsContact O-CB 3.23Å; G1164-L1167 WeakPolarHBondContact O-CB 3.18Å; G1164-L1167 PolarHBondContact O-N 3.36Å
1165N79.6Confident77.3Confident22 Ų2254.1 Ų54.112%0.11827%0.274CS..G310 helixtrans-56.2-23.9-178.8-65.48.4000114.1W1132 L1167 Y1168 V1169 Y1289 Y1685W1132-N1165 WeakPolarHBondContact CZ2-OD1 3.47Å; N1165-L1167 PolarHBondContact O-N 2.98Å; N1165-L1167 VanDerWaalsContact O-N 3.13Å; N1165-Y1168 PolarHBondContact O-N 3.46Å; N1165-V1169 PolarHBondContact O-N 3.08Å; N1165-Y1289 HydrophobicContact CB-CD1 4.26Å; N1165-Y1685 WeakPolarHBondContact ND2-CE2 3.47Å
1166N78.4Confident76.2Confident90 Ų9050.7 Ų50.748%0.48126%0.259SS..G310 helixtrans-62.6-19.8177.5-66.4-4.7000112.4S1163 G1164 Y1168S1163-N1166 WeakPolarHBondContact O-CB 3.39Å; S1163-N1166 PolarHBondContact O-N 3.18Å; G1164-N1166 PolarHBondContact O-N 3.5Å; N1166-Y1168 VanDerWaalsContact C-N 3.28Å; N1166-Y1168 PolarHBondContact O-N 3.16Å
1167L78.8Confident75.6Confident12 Ų1247 Ų476%0.06324%0.242CC..G310 helixtrans-66.9-26.3174.7-170.865.8000113.1M1160 G1164 N1165 T1180M1160-L1167 HydrophobicContact CE-CD2 4.11Å; M1160-L1167 HydrophobicContact SD-CD2 3.65Å; G1164-L1167 VanDerWaalsContact O-CB 3.23Å; G1164-L1167 WeakPolarHBondContact O-CB 3.18Å; G1164-L1167 PolarHBondContact O-N 3.36Å; N1165-L1167 PolarHBondContact O-N 2.98Å; N1165-L1167 VanDerWaalsContact O-N 3.13Å; L1167-T1180 HydrophobicContact CD1-CG2 4.26Å; L1167-T1180 VanDerWaalsContact CD1-OG1 3.31Å; L1167-T1180 WeakPolarHBondContact CD1-OG1 3.38Å; L1167-T1180 HydrophobicContact CD2-CG2 4Å; L1167-T1180 HydrophobicContact CG-CG2 3.71Å; L1167-T1180 WeakPolarHBondContact CG-OG1 3.32Å; L1167-T1180 PolarHBondContact O-OG1 2.64Å
1168Y81Confident75.2Confident3 Ų349.9 Ų49.91%0.01226%0.256CS..THydrogen-bonded Turntrans-99.7-15.3179.9-51.1-64.9000113.1H1131 N1165 N1166 M1170 T1180 F1277 F1282 Y1289H1131-Y1168 WeakPolarHBondContact CB-OH 3.17Å; H1131-Y1168 AromaticContact CD2-CE2 3.54Å; H1131-Y1168 AromaticContact CD2-CZ 3.86Å; H1131-Y1168 PolarHBondContact CD2-OH 3.03Å; H1131-Y1168 AromaticContact CE1-CE2 3.95Å; H1131-Y1168 AromaticContact CG-CE2 3.91Å; H1131-Y1168 AromaticContact CG-CZ 3.97Å; H1131-Y1168 AromaticContact NE2-CE2 3.55Å; N1165-Y1168 PolarHBondContact O-N 3.46Å; N1166-Y1168 VanDerWaalsContact C-N 3.28Å; N1166-Y1168 PolarHBondContact O-N 3.16Å; Y1168-M1170 PolarHBondContact O-N 2.93Å; Y1168-T1180 HydrophobicContact CD1-CG2 4.2Å; Y1168-T1180 HydrophobicContact CE1-CG2 3.99Å; Y1168-F1277 AromaticContact CE1-CE1 3.83Å; Y1168-F1277 HydrophobicContact CE1-CE1 3.83Å; Y1168-F1277 AromaticContact CE1-CZ 3.93Å; Y1168-F1277 HydrophobicContact CE1-CZ 3.93Å; Y1168-F1282 HydrophobicContact CD1-CE1 4.46Å; Y1168-F1282 AromaticContact CD1-CZ 3.85Å; Y1168-F1282 HydrophobicContact CD1-CZ 3.85Å; Y1168-F1282 HydrophobicContact CE1-CZ 4.21Å; Y1168-F1282 HydrophobicContact CG-CZ 4.33Å; Y1168-Y1289 HydrophobicContact CD2-CD2 4.36Å; Y1168-Y1289 HydrophobicContact CD2-CE2 4.02Å; Y1168-Y1289 HydrophobicContact CG-CD2 4.38Å; Y1168-Y1289 HydrophobicContact CG-CE2 4.27Å
1169V73.8Confident74.8Confident15 Ų1552.5 Ų52.59%0.09127%0.267CS..SBendtrans-72.797.9172.51790000108.4N1165 N1171 V1293 L1521N1165-V1169 PolarHBondContact O-N 3.08Å; V1169-N1171 PolarHBondContact O-N 3.47Å; V1169-V1293 HydrophobicContact CG2-CG2 4.08Å; V1169-L1521 HydrophobicContact CG1-CD1 4.24Å; V1169-L1521 HydrophobicContact CG1-CD2 3.75Å
1170M69.7Low74.6Confident10 Ų1048.7 Ų48.75%0.04924%0.244CC..  trans-59.797.5174.7-70170.2143.800111F1100 I1102 Y1168 F1177 M1286 R1290 T1517F1100-M1170 WeakPolarHBondContact O-CE 3.43Å; I1102-M1170 HydrophobicContact CD1-SD 3.85Å; I1102-M1170 HydrophobicContact CG1-CE 4.34Å; I1102-M1170 HydrophobicContact CG1-SD 3.85Å; Y1168-M1170 PolarHBondContact O-N 2.93Å; M1170-F1177 HydrophobicContact CE-CB 3.44Å; M1170-F1177 VanDerWaalsContact CE-CB 3.44Å; M1170-F1177 HydrophobicContact CE-CG 4.17Å; M1170-F1177 HydrophobicContact CG-CB 4.29Å; M1170-M1286 HydrophobicContact CE-CE 3.81Å; M1170-M1286 HydrophobicContact CG-CE 3.71Å; M1170-M1286 HydrophobicContact SD-CE 3.58Å; M1170-M1286 VanDerWaalsContact SD-CE 3.58Å; M1170-R1290 PolarHBondContact O-NH1 3.33Å; M1170-T1517 HydrophobicContact CB-CG2 3.69Å; M1170-T1517 HydrophobicContact CG-CG2 4.32Å; M1170-T1517 HydrophobicContact SD-CG2 3.88Å
1171N66Low74.5Confident79 Ų7948.9 Ų48.942%0.42225%0.245SC..  trans-78.5147.2172.3-151.23.3000109.5V1169 T1173V1169-N1171 PolarHBondContact O-N 3.47Å; N1171-T1173 PolarHBondContact O-N 3.28Å
1172S60.5Low74.5Confident42 Ų4254.5 Ų54.529%0.29427%0.269SS..THydrogen-bonded Turntrans-74.2-23.9-170.356.70000114.2S1518 K1520S1172-S1518 WeakPolarHBondContact CB-O 3.3Å; S1172-K1520 WeakPolarHBondContact OG-CG 3.38Å
1173T62.1Low74.7Confident100 Ų10053.7 Ų53.761%0.61327%0.266SS*.THydrogen-bonded Turntrans-81.3-18.5-175.848.30000115N1171N1171-T1173 PolarHBondContact O-N 3.28Å
1174L56.9Low75.1Confident99 Ų9952.6 Ų52.652%0.51826%0.258SS..THydrogen-bonded Turntrans-127.4132170.9-69.389.4000107.2S1176L1174-S1176 WeakPolarHBondContact O-CA 3.37Å; L1174-S1176 PolarHBondContact O-N 3.32Å
1175R58.5Low75.7Confident208 Ų20855.2 Ų55.279%0.78527%0.27SS*.THydrogen-bonded Turntrans-65.374.3173.9-73.8-175.8178.2178.5-0.4110.7F1177 E1178 H1179R1175-F1177 PolarHBondContact O-N 2.96Å; R1175-E1178 PolarHBondContact O-N 2.67Å; R1175-H1179 PolarHBondContact O-N 2.6Å
1176S65Low76.2Confident22 Ų2256.7 Ų56.715%0.15428%0.284CS..Hα-helixtrans-69.8-32-149.4-162.30000113.2L1174 H1179 T1180L1174-S1176 WeakPolarHBondContact O-CA 3.37Å; L1174-S1176 PolarHBondContact O-N 3.32Å; S1176-H1179 PolarHBondContact O-N 2.88Å; S1176-T1180 WeakPolarHBondContact O-CB 3.04Å; S1176-T1180 PolarHBondContact O-N 3.39Å; S1176-T1180 PolarHBondContact O-OG1 2.91Å
1177F78Confident76.9Confident6 Ų652.5 Ų52.53%0.02626%0.262CS..Hα-helixtrans-70.4-35.3-179.2-171.6-93.8000112.7Y1095 F1100 M1170 R1175 H1179 T1180 L1181 F1277 F1282 M1286Y1095-F1177 HydrophobicContact CE2-CE1 4.29Å; F1100-F1177 HydrophobicContact CB-CD1 3.79Å; F1100-F1177 AromaticContact CD1-CD1 3.87Å; F1100-F1177 HydrophobicContact CD1-CD1 3.87Å; F1100-F1177 AromaticContact CD1-CE1 3.83Å; F1100-F1177 HydrophobicContact CD1-CE1 3.83Å; F1100-F1177 HydrophobicContact CE1-CE1 4.45Å; F1100-F1177 AromaticContact CG-CD1 3.97Å; F1100-F1177 HydrophobicContact CG-CD1 3.97Å; F1100-F1177 HydrophobicContact CG-CE1 4.4Å; M1170-F1177 HydrophobicContact CE-CB 3.44Å; M1170-F1177 VanDerWaalsContact CE-CB 3.44Å; M1170-F1177 HydrophobicContact CE-CG 4.17Å; M1170-F1177 HydrophobicContact CG-CB 4.29Å; R1175-F1177 PolarHBondContact O-N 2.96Å; F1177-H1179 VanDerWaalsContact C-N 3.32Å; F1177-T1180 PolarHBondContact O-N 3.38Å; F1177-L1181 HydrophobicContact CE1-CD1 4.44Å; F1177-L1181 WeakPolarHBondContact O-CB 3.45Å; F1177-L1181 PolarHBondContact O-N 3.13Å; F1177-F1277 HydrophobicContact CZ-CB 4.2Å; F1177-F1282 HydrophobicContact CE2-CD1 4.32Å; F1177-F1282 AromaticContact CE2-CE1 3.86Å; F1177-F1282 HydrophobicContact CE2-CE1 3.86Å; F1177-M1286 HydrophobicContact CB-CE 4.45Å; F1177-M1286 HydrophobicContact CD2-CE 3.68Å; F1177-M1286 HydrophobicContact CD2-SD 4.01Å; F1177-M1286 HydrophobicContact CE2-CE 4.31Å; F1177-M1286 HydrophobicContact CE2-SD 4.03Å; F1177-M1286 HydrophobicContact CG-CE 4.31Å
1178E79.5Confident77.5Confident64 Ų6452.3 Ų52.330%0.29926%0.261SS..Hα-helixtrans-63.5-41.9172.5-168.9-161.9139.700110.5F1100 R1175 L1181 K1182F1100-E1178 HydrophobicContact CD2-CB 4.05Å; F1100-E1178 HydrophobicContact CD2-CG 4.09Å; F1100-E1178 HydrophobicContact CE2-CG 4.11Å; R1175-E1178 PolarHBondContact O-N 2.67Å; E1178-L1181 PolarHBondContact O-N 3.44Å; E1178-K1182 HydrophobicContact CG-CD 4.48Å; E1178-K1182 WeakPolarHBondContact O-CB 3.49Å; E1178-K1182 WeakPolarHBondContact O-CG 3.44Å; E1178-K1182 PolarHBondContact O-N 3Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.44Å; E1178-K1182 IonicContact OE1-NZ 2.64Å; E1178-K1182 PolarHBondContact OE1-NZ 2.73Å
1179H79.6Confident78Confident82 Ų8253.5 Ų53.538%0.3827%0.274SS..Hα-helixtrans-66.6-37.5175.9-167.9-98.5000112.4R1175 S1176 F1177 K1182 R1183R1175-H1179 PolarHBondContact O-N 2.6Å; S1176-H1179 PolarHBondContact O-N 2.88Å; F1177-H1179 VanDerWaalsContact C-N 3.32Å; H1179-K1182 PolarHBondContact O-N 3.16Å; H1179-R1183 PolarHBondContact CE1-NE 3.25Å; H1179-R1183 VanDerWaalsContact CE1-NE 3.34Å; H1179-R1183 WeakPolarHBondContact O-CG 3.39Å; H1179-R1183 PolarHBondContact O-N 2.59Å
1180T82.6Confident78.9Confident2 Ų254.7 Ų54.71%0.01228%0.277CS..Hα-helixtrans-64.7-46.7172.9-66.80000111.2L1167 Y1168 S1176 F1177 K1182 R1183 W1184L1167-T1180 HydrophobicContact CD1-CG2 4.26Å; L1167-T1180 VanDerWaalsContact CD1-OG1 3.31Å; L1167-T1180 WeakPolarHBondContact CD1-OG1 3.38Å; L1167-T1180 HydrophobicContact CD2-CG2 4Å; L1167-T1180 HydrophobicContact CG-CG2 3.71Å; L1167-T1180 WeakPolarHBondContact CG-OG1 3.32Å; L1167-T1180 PolarHBondContact O-OG1 2.64Å; Y1168-T1180 HydrophobicContact CD1-CG2 4.2Å; Y1168-T1180 HydrophobicContact CE1-CG2 3.99Å; S1176-T1180 WeakPolarHBondContact O-CB 3.04Å; S1176-T1180 PolarHBondContact O-N 3.39Å; S1176-T1180 PolarHBondContact O-OG1 2.91Å; F1177-T1180 PolarHBondContact O-N 3.38Å; T1180-K1182 VanDerWaalsContact C-N 3.32Å; T1180-K1182 PolarHBondContact O-N 2.57Å; T1180-R1183 PolarHBondContact O-N 2.98Å; T1180-R1183 VanDerWaalsContact O-N 3.15Å; T1180-W1184 VanDerWaalsContact O-CD1 3.24Å; T1180-W1184 PolarHBondContact O-N 3.3Å
1181L85Confident80Confident15 Ų1554.2 Ų54.28%0.07928%0.275CS..Hα-helixtrans-62.2-40.1175.6-157.784000111.2F1100 F1177 E1178 R1183 W1184 N1185 F1277F1100-L1181 HydrophobicContact CE1-CD2 3.95Å; F1100-L1181 HydrophobicContact CZ-CD2 3.74Å; F1177-L1181 HydrophobicContact CE1-CD1 4.44Å; F1177-L1181 WeakPolarHBondContact O-CB 3.45Å; F1177-L1181 PolarHBondContact O-N 3.13Å; E1178-L1181 PolarHBondContact O-N 3.44Å; L1181-R1183 VanDerWaalsContact C-N 3.35Å; L1181-R1183 PolarHBondContact O-N 3.34Å; L1181-W1184 PolarHBondContact O-N 2.96Å; L1181-N1185 WeakPolarHBondContact O-CB 3.34Å; L1181-N1185 VanDerWaalsContact O-CG 3.24Å; L1181-N1185 PolarHBondContact O-N 2.71Å; L1181-F1277 HydrophobicContact CD1-CB 4.4Å
1182K86.3Confident81.3Confident122 Ų12250.8 Ų50.853%0.5326%0.256SS..Hα-helixtrans-60-39.9172.7-79.9171.1169.3171.10112.6E1178 H1179 T1180 A1186E1178-K1182 HydrophobicContact CG-CD 4.48Å; E1178-K1182 WeakPolarHBondContact O-CB 3.49Å; E1178-K1182 WeakPolarHBondContact O-CG 3.44Å; E1178-K1182 PolarHBondContact O-N 3Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.44Å; E1178-K1182 IonicContact OE1-NZ 2.64Å; E1178-K1182 PolarHBondContact OE1-NZ 2.73Å; H1179-K1182 PolarHBondContact O-N 3.16Å; T1180-K1182 VanDerWaalsContact C-N 3.32Å; T1180-K1182 PolarHBondContact O-N 2.57Å; K1182-A1186 WeakPolarHBondContact O-CB 3.38Å; K1182-A1186 PolarHBondContact O-N 2.83Å
1183R87.8Confident82.9Confident99 Ų9953.8 Ų53.837%0.37426%0.264SS..Hα-helixtrans-66.9-41.2174-74.1178.2171.8-173.5-3.2113M1160 H1179 T1180 L1181 A1186 L1187M1160-R1183 HydrophobicContact CE-CB 3.68Å; M1160-R1183 HydrophobicContact SD-CB 4.2Å; H1179-R1183 PolarHBondContact CE1-NE 3.25Å; H1179-R1183 VanDerWaalsContact CE1-NE 3.34Å; H1179-R1183 WeakPolarHBondContact O-CG 3.39Å; H1179-R1183 PolarHBondContact O-N 2.59Å; T1180-R1183 PolarHBondContact O-N 2.98Å; T1180-R1183 VanDerWaalsContact O-N 3.15Å; L1181-R1183 VanDerWaalsContact C-N 3.35Å; L1181-R1183 PolarHBondContact O-N 3.34Å; R1183-A1186 PolarHBondContact O-N 3.45Å; R1183-L1187 PolarHBondContact O-N 3.49Å
1184W90.5Very high84.2Confident1 Ų149 Ų490%0.00424%0.235CC..Hα-helixtrans-67.9-38.2174.9-78.4103.3000112.4T1134 L1135 M1160 T1180 L1181 A1186 L1187 L1188 L1270 F1277T1134-W1184 VanDerWaalsContact OG1-CH2 3.25Å; T1134-W1184 WeakPolarHBondContact OG1-CH2 3.41Å; L1135-W1184 HydrophobicContact CD2-CH2 3.71Å; L1135-W1184 HydrophobicContact CD2-CZ2 4.21Å; L1135-W1184 HydrophobicContact CD2-CZ3 4.39Å; L1135-W1184 HydrophobicContact CG-CH2 3.93Å; L1135-W1184 HydrophobicContact CG-CZ2 4.39Å; M1160-W1184 HydrophobicContact CE-CD2 4.06Å; M1160-W1184 HydrophobicContact CE-CG 4.12Å; T1180-W1184 VanDerWaalsContact O-CD1 3.24Å; T1180-W1184 PolarHBondContact O-N 3.3Å; L1181-W1184 PolarHBondContact O-N 2.96Å; W1184-A1186 VanDerWaalsContact C-N 3.34Å; W1184-L1187 HydrophobicContact CE3-CD2 4.17Å; W1184-L1187 HydrophobicContact CZ3-CD2 4.13Å; W1184-L1187 PolarHBondContact O-N 3.44Å; W1184-L1188 PolarHBondContact O-N 3.07Å; W1184-L1270 HydrophobicContact CE3-CD2 3.61Å; W1184-L1270 HydrophobicContact CZ3-CD2 3.6Å; W1184-F1277 AromaticContact CD1-CE2 3.6Å; W1184-F1277 AromaticContact CD2-CE2 3.86Å; W1184-F1277 HydrophobicContact CD2-CE2 3.86Å; W1184-F1277 HydrophobicContact CD2-CZ 4.35Å; W1184-F1277 AromaticContact CE2-CE2 3.79Å; W1184-F1277 AromaticContact CE2-CZ 3.81Å; W1184-F1277 AromaticContact CG-CE2 3.76Å; W1184-F1277 HydrophobicContact CG-CE2 3.76Å; W1184-F1277 HydrophobicContact CZ2-CE2 4.49Å; W1184-F1277 HydrophobicContact CZ2-CZ 4.19Å; W1184-F1277 AromaticContact NE1-CE2 3.62Å; W1184-F1277 AromaticContact NE1-CZ 3.61Å
1185N90Very high85.9Confident67 Ų6744.4 Ų44.436%0.35821%0.211SC..Hα-helixtrans-69.8-30.7173.8-70.1-5.9000112.2L1181 L1188 G1189L1181-N1185 WeakPolarHBondContact O-CB 3.34Å; L1181-N1185 VanDerWaalsContact O-CG 3.24Å; L1181-N1185 PolarHBondContact O-N 2.71Å; N1185-L1188 PolarHBondContact O-N 3.45Å; N1185-G1189 PolarHBondContact O-N 3.42Å
1186A90.8Very high87.5Confident52 Ų5236.2 Ų36.243%0.4318%0.184SC..Hα-helixtrans-66.7-38.2170.100000111.6K1182 R1183 W1184 G1189 Y1190K1182-A1186 WeakPolarHBondContact O-CB 3.38Å; K1182-A1186 PolarHBondContact O-N 2.83Å; R1183-A1186 PolarHBondContact O-N 3.45Å; W1184-A1186 VanDerWaalsContact C-N 3.34Å; A1186-G1189 PolarHBondContact O-N 2.88Å; A1186-Y1190 WeakPolarHBondContact O-CB 3.44Å; A1186-Y1190 PolarHBondContact O-N 2.84Å
1187L91.5Very high88.7Confident2 Ų238.4 Ų38.41%0.0119%0.193CC..Hα-helixtrans-67.8-39.5173.9-176.257.2000112.4T1138 Y1153 F1156 R1183 W1184 Y1190 T1191 L1270T1138-L1187 HydrophobicContact CG2-CD2 4.23Å; Y1153-L1187 HydrophobicContact CD1-CD1 4.48Å; F1156-L1187 HydrophobicContact CB-CD1 4.09Å; F1156-L1187 HydrophobicContact CG-CD1 4.43Å; R1183-L1187 PolarHBondContact O-N 3.49Å; W1184-L1187 HydrophobicContact CE3-CD2 4.17Å; W1184-L1187 HydrophobicContact CZ3-CD2 4.13Å; W1184-L1187 PolarHBondContact O-N 3.44Å; L1187-Y1190 WeakPolarHBondContact O-CB 3.26Å; L1187-Y1190 PolarHBondContact O-N 3.4Å; L1187-T1191 PolarHBondContact O-N 2.91Å; L1187-L1270 HydrophobicContact CD2-CD2 3.99Å; L1187-L1270 HydrophobicContact CG-CD1 4.24Å; L1187-L1270 HydrophobicContact CG-CD2 4.17Å
1188L92.2Very high89.2Confident9 Ų939.2 Ų39.25%0.04720%0.196CC..Hα-helixtrans-64.6-41.5170.7178.769.1000112W1184 N1185 Y1190 T1191 L1192 L1267 L1270 V1271 I1274W1184-L1188 PolarHBondContact O-N 3.07Å; N1185-L1188 PolarHBondContact O-N 3.45Å; L1188-Y1190 VanDerWaalsContact C-N 3.26Å; L1188-Y1190 PolarHBondContact O-N 2.94Å; L1188-T1191 PolarHBondContact O-N 3.47Å; L1188-T1191 PolarHBondContact O-OG1 3.39Å; L1188-L1192 HydrophobicContact CD1-CD1 4.32Å; L1188-L1192 HydrophobicContact CD1-CG 4.48Å; L1188-L1192 HydrophobicContact CG-CD1 4.01Å; L1188-L1192 WeakPolarHBondContact O-CB 3.28Å; L1188-L1192 VanDerWaalsContact O-CG 3.31Å; L1188-L1192 WeakPolarHBondContact O-CG 3.33Å; L1188-L1192 PolarHBondContact O-N 3.04Å; L1188-L1267 HydrophobicContact CD1-CD1 3.54Å; L1188-L1270 HydrophobicContact CD1-CB 4.18Å; L1188-V1271 HydrophobicContact CD1-CG2 4.49Å; L1188-I1274 HydrophobicContact CB-CD1 4.26Å; L1188-I1274 HydrophobicContact CD2-CD1 3.7Å; L1188-I1274 HydrophobicContact CG-CD1 4.45Å
1189G92Very high89.8Confident27 Ų2736.2 Ų36.228%0.27818%0.182SC..Hα-helixtrans-60.7-38.7173.700000111.6N1185 A1186 F1193N1185-G1189 PolarHBondContact O-N 3.42Å; A1186-G1189 PolarHBondContact O-N 2.88Å; G1189-F1193 VanDerWaalsContact O-CB 3.26Å; G1189-F1193 WeakPolarHBondContact O-CB 3.44Å; G1189-F1193 PolarHBondContact O-N 3.15Å
1190Y93.1Very high90.2Very high41 Ų4134.7 Ų34.716%0.16118%0.18CC..Hα-helixtrans-66-46.1174.6-172.2-100.8000112.4F1149 G1152 Y1153 F1156 A1186 L1187 L1188 L1192 F1193 T1194F1149-Y1190 WeakPolarHBondContact CA-OH 3.32Å; F1149-Y1190 PolarHBondContact O-OH 3.09Å; G1152-Y1190 WeakPolarHBondContact CA-OH 3.32Å; Y1153-Y1190 AromaticContact CD1-CD1 3.72Å; Y1153-Y1190 HydrophobicContact CD1-CD1 3.72Å; Y1153-Y1190 AromaticContact CD1-CE1 3.63Å; Y1153-Y1190 HydrophobicContact CD1-CE1 3.63Å; Y1153-Y1190 HydrophobicContact CD2-CE1 4.38Å; Y1153-Y1190 AromaticContact CE1-CD1 3.48Å; Y1153-Y1190 HydrophobicContact CE1-CD1 3.48Å; Y1153-Y1190 VanDerWaalsContact CE1-CD1 3.48Å; Y1153-Y1190 AromaticContact CE1-CE1 3.61Å; Y1153-Y1190 HydrophobicContact CE1-CE1 3.61Å; Y1153-Y1190 HydrophobicContact CE2-CE1 4.38Å; Y1153-Y1190 HydrophobicContact CG-CE1 4.02Å; F1156-Y1190 HydrophobicContact CD2-CD1 4.34Å; F1156-Y1190 HydrophobicContact CD2-CG 4.31Å; F1156-Y1190 HydrophobicContact CE2-CD1 4.42Å; F1156-Y1190 AromaticContact CE2-CD2 3.94Å; F1156-Y1190 HydrophobicContact CE2-CD2 3.94Å; F1156-Y1190 HydrophobicContact CE2-CE2 4.39Å; F1156-Y1190 AromaticContact CE2-CG 3.97Å; F1156-Y1190 HydrophobicContact CE2-CG 3.97Å; A1186-Y1190 WeakPolarHBondContact O-CB 3.44Å; A1186-Y1190 PolarHBondContact O-N 2.84Å; L1187-Y1190 WeakPolarHBondContact O-CB 3.26Å; L1187-Y1190 PolarHBondContact O-N 3.4Å; L1188-Y1190 VanDerWaalsContact C-N 3.26Å; L1188-Y1190 PolarHBondContact O-N 2.94Å; Y1190-L1192 VanDerWaalsContact C-N 3.33Å; Y1190-L1192 PolarHBondContact O-N 3.47Å; Y1190-F1193 PolarHBondContact O-N 3.06Å; Y1190-T1194 HydrophobicContact CD1-CG2 4.14Å; Y1190-T1194 HydrophobicContact CE1-CG2 3.7Å; Y1190-T1194 HydrophobicContact CE2-CG2 4.28Å; Y1190-T1194 WeakPolarHBondContact O-CG2 3.49Å; Y1190-T1194 PolarHBondContact O-N 3.1Å; Y1190-T1194 PolarHBondContact O-OG1 3.1Å
1191T93Very high90.4Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-63.3-37.2175.653.80000112.9Y1153 L1187 L1188 T1194 I1195 A1266 L1270Y1153-T1191 HydrophobicContact CE1-CG2 3.59Å; L1187-T1191 PolarHBondContact O-N 2.91Å; L1188-T1191 PolarHBondContact O-N 3.47Å; L1188-T1191 PolarHBondContact O-OG1 3.39Å; T1191-T1194 WeakPolarHBondContact CA-OG1 3.18Å; T1191-T1194 PolarHBondContact O-OG1 2.59Å; T1191-I1195 WeakPolarHBondContact O-CD1 3.46Å; T1191-I1195 VanDerWaalsContact O-CG1 3.25Å; T1191-I1195 WeakPolarHBondContact O-CG1 3.46Å; T1191-I1195 PolarHBondContact O-N 2.69Å; T1191-I1195 VanDerWaalsContact O-N 3.15Å; T1191-A1266 HydrophobicContact CG2-CB 4.24Å; T1191-L1270 HydrophobicContact CG2-CD1 3.57Å
1192L93.3Very high90.5Very high6 Ų636.2 Ų36.23%0.03119%0.188CC..Hα-helixtrans-68.7-37.2175.7-71.5168.4000111.8L988 V989 A992 L993 L1188 Y1190 T1196 L1267L988-L1192 HydrophobicContact CD2-CD2 4.29Å; L988-L1192 HydrophobicContact CG-CD2 4.06Å; V989-L1192 HydrophobicContact CG2-CB 4.24Å; V989-L1192 HydrophobicContact CG2-CD2 4.43Å; A992-L1192 HydrophobicContact CB-CD1 3.73Å; A992-L1192 HydrophobicContact CB-CD2 4.35Å; L993-L1192 HydrophobicContact CD2-CD1 3.99Å; L993-L1192 HydrophobicContact CG-CD1 4.2Å; L1188-L1192 HydrophobicContact CD1-CD1 4.32Å; L1188-L1192 HydrophobicContact CD1-CG 4.48Å; L1188-L1192 HydrophobicContact CG-CD1 4.01Å; L1188-L1192 WeakPolarHBondContact O-CB 3.28Å; L1188-L1192 VanDerWaalsContact O-CG 3.31Å; L1188-L1192 WeakPolarHBondContact O-CG 3.33Å; L1188-L1192 PolarHBondContact O-N 3.04Å; Y1190-L1192 VanDerWaalsContact C-N 3.33Å; Y1190-L1192 PolarHBondContact O-N 3.47Å; L1192-T1196 WeakPolarHBondContact O-CB 3.35Å; L1192-T1196 PolarHBondContact O-N 3.48Å; L1192-T1196 PolarHBondContact O-OG1 3.33Å; L1192-L1267 HydrophobicContact CD2-CD1 3.94Å; L1192-L1267 HydrophobicContact CG-CD1 4.3Å
1193F92.2Very high90.2Very high105 Ų10532.5 Ų32.546%0.46117%0.173SC..Hα-helixtrans-66.9-44.9175175.7-102.1000112.2G1189 Y1190 T1196 M1197G1189-F1193 VanDerWaalsContact O-CB 3.26Å; G1189-F1193 WeakPolarHBondContact O-CB 3.44Å; G1189-F1193 PolarHBondContact O-N 3.15Å; Y1190-F1193 PolarHBondContact O-N 3.06Å; F1193-T1196 PolarHBondContact O-N 3.33Å; F1193-M1197 HydrophobicContact CD1-CG 4.25Å; F1193-M1197 HydrophobicContact CD2-CG 3.95Å; F1193-M1197 HydrophobicContact CE1-CG 3.87Å; F1193-M1197 HydrophobicContact CE2-CE 4.14Å; F1193-M1197 HydrophobicContact CE2-CG 3.54Å; F1193-M1197 HydrophobicContact CE2-SD 3.98Å; F1193-M1197 HydrophobicContact CG-CG 4.29Å; F1193-M1197 HydrophobicContact CZ-CG 3.5Å; F1193-M1197 VanDerWaalsContact CZ-CG 3.5Å; F1193-M1197 HydrophobicContact CZ-SD 4.06Å; F1193-M1197 WeakPolarHBondContact O-CB 3.38Å; F1193-M1197 VanDerWaalsContact O-CG 3.3Å; F1193-M1197 WeakPolarHBondContact O-CG 3.49Å; F1193-M1197 PolarHBondContact O-N 3.14Å
1194T91.1Very high90Very high0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-63.7-43.6178530000111.9F1149 Y1153 Y1190 T1191 M1197 K1198F1149-T1194 HydrophobicContact CB-CG2 4.06Å; F1149-T1194 HydrophobicContact CD1-CG2 3.91Å; F1149-T1194 HydrophobicContact CG-CG2 4.27Å; Y1153-T1194 PolarHBondContact OH-OG1 3.37Å; Y1190-T1194 HydrophobicContact CD1-CG2 4.14Å; Y1190-T1194 HydrophobicContact CE1-CG2 3.7Å; Y1190-T1194 HydrophobicContact CE2-CG2 4.28Å; Y1190-T1194 WeakPolarHBondContact O-CG2 3.49Å; Y1190-T1194 PolarHBondContact O-N 3.1Å; Y1190-T1194 PolarHBondContact O-OG1 3.1Å; T1191-T1194 WeakPolarHBondContact CA-OG1 3.18Å; T1191-T1194 PolarHBondContact O-OG1 2.59Å; T1194-M1197 PolarHBondContact O-N 3.41Å; T1194-K1198 WeakPolarHBondContact O-CB 3.45Å; T1194-K1198 WeakPolarHBondContact O-CG 3.46Å; T1194-K1198 PolarHBondContact O-N 3.11Å
1195I91.8Very high89.5Confident3 Ų333.5 Ų33.52%0.01518%0.181CC..Hα-helixtrans-58.7-51.7174.2-69.3166.9000110.4I973 T1191 M1197 K1198 V1199 I1260 D1263 V1264 L1267I973-I1195 HydrophobicContact CG2-CG2 4.33Å; T1191-I1195 WeakPolarHBondContact O-CD1 3.46Å; T1191-I1195 VanDerWaalsContact O-CG1 3.25Å; T1191-I1195 WeakPolarHBondContact O-CG1 3.46Å; T1191-I1195 PolarHBondContact O-N 2.69Å; T1191-I1195 VanDerWaalsContact O-N 3.15Å; I1195-M1197 PolarHBondContact O-N 3.07Å; I1195-K1198 PolarHBondContact O-N 3.15Å; I1195-V1199 WeakPolarHBondContact O-CG2 3.48Å; I1195-V1199 PolarHBondContact O-N 3.06Å; I1195-I1260 HydrophobicContact CG2-CD1 4.09Å; I1195-D1263 HydrophobicContact CD1-CB 4.07Å; I1195-D1263 HydrophobicContact CG1-CB 3.61Å; I1195-V1264 HydrophobicContact CD1-CG2 4.41Å; I1195-L1267 HydrophobicContact CD1-CB 4.42Å; I1195-L1267 HydrophobicContact CD1-CD2 4.12Å
1196T91.8Very high89.2Confident36 Ų3630.4 Ų30.422%0.22117%0.165CC..Hα-helixtrans-61.3-45.9-178.6-53.80000111.4C985 L1192 F1193 V1199 C1200C985-T1196 HydrophobicContact CB-CG2 4.4Å; L1192-T1196 WeakPolarHBondContact O-CB 3.35Å; L1192-T1196 PolarHBondContact O-N 3.48Å; L1192-T1196 PolarHBondContact O-OG1 3.33Å; F1193-T1196 PolarHBondContact O-N 3.33Å; T1196-V1199 PolarHBondContact O-N 2.85Å; T1196-C1200 PolarHBondContact O-N 3.42Å; T1196-C1200 PolarHBondContact O-SG 2.89Å
1197M90.1Very high88.8Confident68 Ų6828 Ų2834%0.33515%0.145SC..Hα-helixtrans-65.3-43178.4-73.6-67109.300112.5F1149 F1193 T1194 I1195 V1199 C1200 L1201F1149-M1197 HydrophobicContact CE1-CB 4.39Å; F1149-M1197 HydrophobicContact CZ-CB 4.21Å; F1193-M1197 HydrophobicContact CD1-CG 4.25Å; F1193-M1197 HydrophobicContact CD2-CG 3.95Å; F1193-M1197 HydrophobicContact CE1-CG 3.87Å; F1193-M1197 HydrophobicContact CE2-CE 4.14Å; F1193-M1197 HydrophobicContact CE2-CG 3.54Å; F1193-M1197 HydrophobicContact CE2-SD 3.98Å; F1193-M1197 HydrophobicContact CG-CG 4.29Å; F1193-M1197 HydrophobicContact CZ-CG 3.5Å; F1193-M1197 VanDerWaalsContact CZ-CG 3.5Å; F1193-M1197 HydrophobicContact CZ-SD 4.06Å; F1193-M1197 WeakPolarHBondContact O-CB 3.38Å; F1193-M1197 VanDerWaalsContact O-CG 3.3Å; F1193-M1197 WeakPolarHBondContact O-CG 3.49Å; F1193-M1197 PolarHBondContact O-N 3.14Å; T1194-M1197 PolarHBondContact O-N 3.41Å; I1195-M1197 PolarHBondContact O-N 3.07Å; M1197-V1199 PolarHBondContact O-N 3.01Å; M1197-C1200 PolarHBondContact O-N 2.96Å; M1197-L1201 VanDerWaalsContact O-CB 3.3Å; M1197-L1201 WeakPolarHBondContact O-CB 3.36Å; M1197-L1201 VanDerWaalsContact O-CG 3.23Å; M1197-L1201 WeakPolarHBondContact O-CG 3.49Å; M1197-L1201 PolarHBondContact O-N 3.49Å
1198K89.9Confident88.3Confident23 Ų2330.8 Ų30.810%0.116%0.157CC..Hα-helixtrans-61.3-42.2177-81-178.3169.8-175.30112T1194 I1195 L1201 Q1202 E1257 N1259 I1260 D1263T1194-K1198 WeakPolarHBondContact O-CB 3.45Å; T1194-K1198 WeakPolarHBondContact O-CG 3.46Å; T1194-K1198 PolarHBondContact O-N 3.11Å; I1195-K1198 PolarHBondContact O-N 3.15Å; K1198-L1201 PolarHBondContact O-N 2.87Å; K1198-Q1202 PolarHBondContact O-N 2.86Å; K1198-Q1202 VanDerWaalsContact O-N 3.12Å; K1198-E1257 WeakPolarHBondContact CE-O 3.43Å; K1198-E1257 PolarHBondContact NZ-O 2.8Å; K1198-E1257 VanDerWaalsContact NZ-O 3.1Å; K1198-N1259 PolarHBondContact NZ-O 2.96Å; K1198-I1260 HydrophobicContact CB-CG2 3.61Å; K1198-I1260 HydrophobicContact CD-CG2 3.62Å; K1198-I1260 HydrophobicContact CG-CG2 4.29Å; K1198-D1263 IonicContact NZ-OD2 3.97Å; K1198-D1263 PolarHBondContact NZ-OD2 3.22Å
1199V90.2Very high87.7Confident1 Ų131.4 Ų31.41%0.00616%0.16CC..Hα-helixtrans-65.4-43.8176.1175.50000111.1I973 M977 A981 A982 I1195 T1196 M1197 L1201 Q1202 I1260I973-V1199 HydrophobicContact CG2-CG2 3.77Å; M977-V1199 HydrophobicContact CE-CG2 4.42Å; M977-V1199 HydrophobicContact SD-CG2 3.88Å; A981-V1199 HydrophobicContact CB-CG1 4.27Å; A982-V1199 HydrophobicContact CB-CG1 4.06Å; I1195-V1199 WeakPolarHBondContact O-CG2 3.48Å; I1195-V1199 PolarHBondContact O-N 3.06Å; T1196-V1199 PolarHBondContact O-N 2.85Å; M1197-V1199 PolarHBondContact O-N 3.01Å; V1199-L1201 VanDerWaalsContact C-N 3.33Å; V1199-L1201 PolarHBondContact O-N 3.18Å; V1199-Q1202 PolarHBondContact O-N 3.17Å; V1199-I1260 HydrophobicContact CG2-CD1 4.32Å
1200C88.7Confident87.1Confident50 Ų5033.6 Ų33.634%0.33817%0.171SC..Hα-helixtrans-63.8-36.4174.3-66.70000113T1196 M1197 Q1202 I1203T1196-C1200 PolarHBondContact O-N 3.42Å; T1196-C1200 PolarHBondContact O-SG 2.89Å; M1197-C1200 PolarHBondContact O-N 2.96Å; C1200-Q1202 VanDerWaalsContact C-N 3.3Å; C1200-Q1202 PolarHBondContact O-N 3.48Å; C1200-I1203 PolarHBondContact O-N 3.39Å
1201L87.8Confident86.6Confident43 Ų4338.3 Ų38.323%0.22519%0.189CC..Hα-helixtrans-70.8-20.5177.5-75.3171.1000113.2F1149 M1197 K1198 V1199 F1204 G1205 I1231F1149-L1201 HydrophobicContact CE2-CD1 4.07Å; F1149-L1201 HydrophobicContact CZ-CD1 4.08Å; M1197-L1201 VanDerWaalsContact O-CB 3.3Å; M1197-L1201 WeakPolarHBondContact O-CB 3.36Å; M1197-L1201 VanDerWaalsContact O-CG 3.23Å; M1197-L1201 WeakPolarHBondContact O-CG 3.49Å; M1197-L1201 PolarHBondContact O-N 3.49Å; K1198-L1201 PolarHBondContact O-N 2.87Å; V1199-L1201 VanDerWaalsContact C-N 3.33Å; V1199-L1201 PolarHBondContact O-N 3.18Å; L1201-F1204 PolarHBondContact O-N 3.01Å; L1201-G1205 PolarHBondContact O-N 2.9Å; L1201-I1231 HydrophobicContact CD2-CD1 4.37Å
1202Q86.9Confident86Confident5 Ų538.9 Ų38.92%0.02319%0.191CC..Hα-helixtrans-64.3-42.3171.4-76-54.9-55.400112.2M977 K1198 V1199 C1200 F1204 G1205 C1206 T1232M977-Q1202 HydrophobicContact CE-CG 3.84Å; K1198-Q1202 PolarHBondContact O-N 2.86Å; K1198-Q1202 VanDerWaalsContact O-N 3.12Å; V1199-Q1202 PolarHBondContact O-N 3.17Å; C1200-Q1202 VanDerWaalsContact C-N 3.3Å; C1200-Q1202 PolarHBondContact O-N 3.48Å; Q1202-F1204 PolarHBondContact O-N 3.33Å; Q1202-G1205 PolarHBondContact O-N 3.17Å; Q1202-G1205 VanDerWaalsContact O-N 3.14Å; Q1202-C1206 WeakPolarHBondContact O-CB 3.35Å; Q1202-C1206 PolarHBondContact O-N 2.72Å; Q1202-C1206 PolarHBondContact O-SG 3.08Å; Q1202-C1206 VanDerWaalsContact O-SG 3.37Å; Q1202-T1232 PolarHBondContact NE2-O 3.41Å; Q1202-T1232 PolarHBondContact OE1-O 2.82Å
1203I80.1Confident85.3Confident44 Ų4442.6 Ų42.623%0.22621%0.211CC..Hα-helixtrans-60.1-39.5176.3-56177.6000110.2C1200C1200-I1203 PolarHBondContact O-N 3.39Å
1204F83.1Confident84.6Confident120 Ų12041.5 Ų41.553%0.52621%0.208SC..Hα-helixtrans-68.2-44.9172.4-90.8-86.1000113.3L1201 Q1202 F1208L1201-F1204 PolarHBondContact O-N 3.01Å; Q1202-F1204 PolarHBondContact O-N 3.33Å; F1204-F1208 HydrophobicContact CD1-CB 4.24Å; F1204-F1208 HydrophobicContact CD1-CD2 4.15Å; F1204-F1208 HydrophobicContact CD1-CG 4.37Å; F1204-F1208 HydrophobicContact CE1-CD2 4.49Å; F1204-F1208 WeakPolarHBondContact O-CA 3.35Å; F1204-F1208 WeakPolarHBondContact O-CB 3.25Å; F1204-F1208 PolarHBondContact O-N 3.49Å
1205G80.3Confident83.7Confident1 Ų147.3 Ų47.31%0.0125%0.248CC..Hα-helixtrans-72-30.4-174.500000115.2L1201 Q1202L1201-G1205 PolarHBondContact O-N 2.9Å; Q1202-G1205 PolarHBondContact O-N 3.17Å; Q1202-G1205 VanDerWaalsContact O-N 3.14Å
1206C84.2Confident83.1Confident2 Ų249.7 Ų49.71%0.01427%0.273CS..Hα-helixtrans-87.2-24.4179.8-61.30000114N1048 L1052 Q1202 C1233N1048-C1206 PolarHBondContact ND2-O 3.2Å; L1052-C1206 HydrophobicContact CD1-CB 3.63Å; Q1202-C1206 WeakPolarHBondContact O-CB 3.35Å; Q1202-C1206 PolarHBondContact O-N 2.72Å; Q1202-C1206 PolarHBondContact O-SG 3.08Å; Q1202-C1206 VanDerWaalsContact O-SG 3.37Å; C1206-C1233 HydrophobicContact CB-CB 3.88Å; C1206-C1233 WeakPolarHBondContact CB-SG 3.23Å; C1206-C1233 WeakPolarHBondContact SG-CA 3.5Å; C1206-C1233 WeakPolarHBondContact SG-CB 3.17Å; C1206-C1233 CovalentContact SG-SG 2.04Å; C1206-C1233 PolarHBondContact SG-SG 2.73Å
1207V81.6Confident82.5Confident2 Ų250.7 Ų50.71%0.01229%0.291CS..Hα-helixtrans-111.3-40.6-174.3-177.50000112.4N1048 L1049 L1052N1048-V1207 HydrophobicContact CB-CG2 4.2Å; L1049-V1207 HydrophobicContact CB-CG1 4.18Å; L1049-V1207 HydrophobicContact CB-CG2 3.96Å; L1049-V1207 HydrophobicContact CD1-CG2 4.28Å; L1052-V1207 HydrophobicContact CD1-CG2 4.09Å
1208F81.8Confident82.1Confident61 Ų6155.8 Ų55.827%0.26831%0.306SS..SBendtrans-106.421-171.3-59.8-86.2000113.5Y1041 F1204 S1210 W1211Y1041-F1208 HydrophobicContact CE1-CD1 4.42Å; Y1041-F1208 AromaticContact CE1-CE1 3.79Å; Y1041-F1208 HydrophobicContact CE1-CE1 3.79Å; Y1041-F1208 HydrophobicContact CE1-CZ 4.47Å; Y1041-F1208 AromaticContact CZ-CE1 3.96Å; F1204-F1208 HydrophobicContact CD1-CB 4.24Å; F1204-F1208 HydrophobicContact CD1-CD2 4.15Å; F1204-F1208 HydrophobicContact CD1-CG 4.37Å; F1204-F1208 HydrophobicContact CE1-CD2 4.49Å; F1204-F1208 WeakPolarHBondContact O-CA 3.35Å; F1204-F1208 WeakPolarHBondContact O-CB 3.25Å; F1204-F1208 PolarHBondContact O-N 3.49Å; F1208-S1210 PolarHBondContact O-N 3.25Å; F1208-W1211 WeakPolarHBondContact O-CB 3.36Å; F1208-W1211 PolarHBondContact O-N 3.28Å; F1208-W1211 VanDerWaalsContact O-N 3.07Å
1209L79.1Confident81.6Confident22 Ų2255.1 Ų55.112%0.11531%0.306CS..G310 helixtrans-59.3-31.9-179-161.971.9000112.7W1211 F1212 L1241L1209-W1211 PolarHBondContact O-N 3.34Å; L1209-F1212 PolarHBondContact O-N 2.84Å; L1209-F1212 VanDerWaalsContact O-N 3.13Å; L1209-L1241 HydrophobicContact CB-CD1 3.8Å
1210S79.3Confident81.1Confident73 Ų7362.5 Ų62.551%0.5134%0.338SS..G310 helixtrans-57.5-25.817655.70000113.9F1208 F1212 D1213F1208-S1210 PolarHBondContact O-N 3.25Å; S1210-F1212 PolarHBondContact O-N 3.48Å; S1210-D1213 PolarHBondContact O-N 2.83Å
1211W81.8Confident80.9Confident140 Ų14063.6 Ų63.653%0.5334%0.343SS..G310 helixtrans-68.7-21.5179-171.979.2000113.3F1208 L1209 L1222F1208-W1211 WeakPolarHBondContact O-CB 3.36Å; F1208-W1211 PolarHBondContact O-N 3.28Å; F1208-W1211 VanDerWaalsContact O-N 3.07Å; L1209-W1211 PolarHBondContact O-N 3.34Å; W1211-L1222 HydrophobicContact CE3-CD2 4.26Å; W1211-L1222 HydrophobicContact CH2-CD2 3.91Å; W1211-L1222 HydrophobicContact CZ3-CD2 3.59Å
1212F80.6Confident80.8Confident12 Ų1262.1 Ų62.15%0.05334%0.335CS..G310 helixtrans-84.9-16.7178.6-65.3-85.6000113.6L1209 S1210 Q1214 L1222 V1225 R1226 I1231 F1247L1209-F1212 PolarHBondContact O-N 2.84Å; L1209-F1212 VanDerWaalsContact O-N 3.13Å; S1210-F1212 PolarHBondContact O-N 3.48Å; F1212-Q1214 PolarHBondContact O-N 3.31Å; F1212-Q1214 VanDerWaalsContact O-N 3.07Å; F1212-L1222 HydrophobicContact CD1-CB 4.21Å; F1212-L1222 HydrophobicContact CD1-CD2 4.22Å; F1212-V1225 HydrophobicContact CE1-CG1 4.31Å; F1212-R1226 HydrophobicContact CD1-CB 4.21Å; F1212-I1231 HydrophobicContact CE1-CD1 4.09Å; F1212-I1231 HydrophobicContact CE2-CD1 4.44Å; F1212-I1231 HydrophobicContact CE2-CG2 4.23Å; F1212-I1231 HydrophobicContact CZ-CD1 3.62Å; F1212-I1231 HydrophobicContact CZ-CG2 4.42Å; F1212-F1247 VanDerWaalsContact C-CZ 3.48Å; F1212-F1247 HydrophobicContact CB-CE1 3.86Å; F1212-F1247 HydrophobicContact CB-CZ 3.71Å; F1212-F1247 VanDerWaalsContact O-CZ 3.32Å; F1212-F1247 WeakPolarHBondContact O-CZ 3.39Å
1213D79.3Confident80.7Confident84 Ų8463 Ų6345%0.44934%0.342SS..  trans-86.959.2-179.5-168.223000112S1210 L1244 F1247S1210-D1213 PolarHBondContact O-N 2.83Å; D1213-L1244 HydrophobicContact CB-CD2 3.5Å; D1213-L1244 VanDerWaalsContact CB-CD2 3.5Å; D1213-F1247 HydrophobicContact CB-CB 4.27Å; D1213-F1247 HydrophobicContact CB-CD1 3.96Å; D1213-F1247 HydrophobicContact CB-CD2 3.78Å; D1213-F1247 HydrophobicContact CB-CE1 4.22Å; D1213-F1247 HydrophobicContact CB-CE2 4.08Å; D1213-F1247 HydrophobicContact CB-CG 3.73Å; D1213-F1247 HydrophobicContact CB-CZ 4.29Å; D1213-F1247 WeakPolarHBondContact OD1-CD2 2.94Å
1214Q77.5Confident80.8Confident82 Ų8264.5 Ų64.538%0.38335%0.35SS..  trans-92.7144167.9-64.4-169.2-10.400110F1212 G1219 L1222F1212-Q1214 PolarHBondContact O-N 3.31Å; F1212-Q1214 VanDerWaalsContact O-N 3.07Å; Q1214-G1219 WeakPolarHBondContact O-CA 3.41Å; Q1214-L1222 HydrophobicContact CB-CD1 4.05Å; Q1214-L1222 HydrophobicContact CG-CD1 3.95Å
1215S72.6Confident81Confident121 Ų12161.5 Ų61.585%0.84634%0.341SS*.  trans-83156.7174.558.40000112.3
1216G77.5Confident81.2Confident53 Ų5361.8 Ų61.855%0.54634%0.342SS..SBendtrans89.1-159175.400000115.5W1218 G1219 K1220G1216-W1218 PolarHBondContact O-N 3.49Å; G1216-G1219 PolarHBondContact O-N 2.96Å; G1216-K1220 PolarHBondContact O-N 2.82Å
1217G79.3Confident81.2Confident57 Ų5762.6 Ų62.659%0.58835%0.345SS*.Hα-helixtrans-64-38.3-175.400000113.5G1219 K1220 T1221G1217-G1219 VanDerWaalsContact C-N 3.34Å; G1217-K1220 PolarHBondContact O-N 3.38Å; G1217-T1221 PolarHBondContact O-N 2.98Å; G1217-T1221 VanDerWaalsContact O-N 3.14Å; G1217-T1221 PolarHBondContact O-OG1 2.97Å
1218W81.6Confident81.3Confident176 Ų17664.8 Ų64.867%0.66736%0.356SS*.Hα-helixtrans-63.8-38.6173.3-104.168.6000112.1G1216 K1220 T1221 L1222G1216-W1218 PolarHBondContact O-N 3.49Å; W1218-K1220 PolarHBondContact O-N 3.29Å; W1218-T1221 VanDerWaalsContact CA-OG1 3.32Å; W1218-T1221 WeakPolarHBondContact CA-OG1 3.5Å; W1218-T1221 PolarHBondContact O-N 2.9Å; W1218-T1221 VanDerWaalsContact O-N 3.15Å; W1218-T1221 PolarHBondContact O-OG1 3.17Å; W1218-L1222 HydrophobicContact CE3-CD1 4.27Å; W1218-L1222 WeakPolarHBondContact O-CB 3.14Å; W1218-L1222 WeakPolarHBondContact O-CG 3.13Å; W1218-L1222 PolarHBondContact O-N 3.27Å
1219G80.3Confident81.5Confident8 Ų865.3 Ų65.38%0.08236%0.359CS..Hα-helixtrans-55.3-45.9170.600000113.9Q1214 G1216 G1217 T1221 L1222 C1223Q1214-G1219 WeakPolarHBondContact O-CA 3.41Å; G1216-G1219 PolarHBondContact O-N 2.96Å; G1217-G1219 VanDerWaalsContact C-N 3.34Å; G1219-T1221 PolarHBondContact O-N 3.47Å; G1219-L1222 PolarHBondContact O-N 2.93Å; G1219-C1223 WeakPolarHBondContact O-CB 3.43Å; G1219-C1223 PolarHBondContact O-N 3.31Å
1220K79.6Confident81.7Confident156 Ų15664.5 Ų64.568%0.67836%0.355SS*.Hα-helixtrans-61.9-42.2174.6-71.3-174.5176.6-176.50111.9G1216 G1217 W1218 C1223 I1224G1216-K1220 PolarHBondContact O-N 2.82Å; G1217-K1220 PolarHBondContact O-N 3.38Å; W1218-K1220 PolarHBondContact O-N 3.29Å; K1220-C1223 PolarHBondContact O-N 3.36Å; K1220-I1224 WeakPolarHBondContact O-CD1 3.46Å; K1220-I1224 VanDerWaalsContact O-CG1 3.25Å; K1220-I1224 WeakPolarHBondContact O-CG1 3.44Å; K1220-I1224 PolarHBondContact O-N 3.24Å
1221T84.6Confident82Confident74 Ų7461.6 Ų61.645%0.45433%0.334SS..Hα-helixtrans-67-37.4175.548.10000112.9G1217 W1218 G1219 I1224 V1225G1217-T1221 PolarHBondContact O-N 2.98Å; G1217-T1221 VanDerWaalsContact O-N 3.14Å; G1217-T1221 PolarHBondContact O-OG1 2.97Å; W1218-T1221 VanDerWaalsContact CA-OG1 3.32Å; W1218-T1221 WeakPolarHBondContact CA-OG1 3.5Å; W1218-T1221 PolarHBondContact O-N 2.9Å; W1218-T1221 VanDerWaalsContact O-N 3.15Å; W1218-T1221 PolarHBondContact O-OG1 3.17Å; G1219-T1221 PolarHBondContact O-N 3.47Å; T1221-I1224 PolarHBondContact O-N 2.94Å; T1221-V1225 VanDerWaalsContact O-CG2 3.31Å; T1221-V1225 WeakPolarHBondContact O-CG2 3.47Å; T1221-V1225 PolarHBondContact O-N 3.19Å
1222L85.8Confident82Confident11 Ų1155.9 Ų55.96%0.05831%0.314CS..Hα-helixtrans-68.4-38.4176.3-73.8171000111.9W1211 F1212 Q1214 W1218 G1219 V1225 R1226W1211-L1222 HydrophobicContact CE3-CD2 4.26Å; W1211-L1222 HydrophobicContact CH2-CD2 3.91Å; W1211-L1222 HydrophobicContact CZ3-CD2 3.59Å; F1212-L1222 HydrophobicContact CD1-CB 4.21Å; F1212-L1222 HydrophobicContact CD1-CD2 4.22Å; Q1214-L1222 HydrophobicContact CB-CD1 4.05Å; Q1214-L1222 HydrophobicContact CG-CD1 3.95Å; W1218-L1222 HydrophobicContact CE3-CD1 4.27Å; W1218-L1222 WeakPolarHBondContact O-CB 3.14Å; W1218-L1222 WeakPolarHBondContact O-CG 3.13Å; W1218-L1222 PolarHBondContact O-N 3.27Å; G1219-L1222 PolarHBondContact O-N 2.93Å; L1222-V1225 PolarHBondContact O-N 2.9Å; L1222-R1226 WeakPolarHBondContact O-CB 3.41Å; L1222-R1226 PolarHBondContact O-N 3.42Å
1223C84Confident82.2Confident25 Ų2557 Ų5717%0.16932%0.323CS..Hα-helixtrans-62.9-43.3170.6175.90000112G1219 K1220 V1225 R1226 Q1227 C1251G1219-C1223 WeakPolarHBondContact O-CB 3.43Å; G1219-C1223 PolarHBondContact O-N 3.31Å; K1220-C1223 PolarHBondContact O-N 3.36Å; C1223-V1225 VanDerWaalsContact C-N 3.34Å; C1223-V1225 PolarHBondContact O-N 2.88Å; C1223-R1226 WeakPolarHBondContact O-CB 3.32Å; C1223-R1226 PolarHBondContact O-N 2.73Å; C1223-Q1227 WeakPolarHBondContact O-CG 3.47Å; C1223-Q1227 PolarHBondContact O-N 3.2Å; C1223-C1251 WeakPolarHBondContact CA-SG 3.44Å; C1223-C1251 HydrophobicContact CB-CB 4Å; C1223-C1251 WeakPolarHBondContact CB-SG 3.27Å; C1223-C1251 WeakPolarHBondContact SG-CB 3.37Å; C1223-C1251 CovalentContact SG-SG 2.04Å; C1223-C1251 PolarHBondContact SG-SG 3.21Å
1224I83.8Confident82.4Confident75 Ų7554.2 Ų54.239%0.38531%0.309SS..Hα-helixtrans-60.9-42.4174-68.7162.4000110.7K1220 T1221 Q1227 L1228 F1638K1220-I1224 WeakPolarHBondContact O-CD1 3.46Å; K1220-I1224 VanDerWaalsContact O-CG1 3.25Å; K1220-I1224 WeakPolarHBondContact O-CG1 3.44Å; K1220-I1224 PolarHBondContact O-N 3.24Å; T1221-I1224 PolarHBondContact O-N 2.94Å; I1224-Q1227 PolarHBondContact O-N 2.88Å; I1224-L1228 VanDerWaalsContact O-CB 3.24Å; I1224-L1228 WeakPolarHBondContact O-CB 3.42Å; I1224-L1228 PolarHBondContact O-N 2.88Å; I1224-F1638 HydrophobicContact CG1-CB 4.29Å
1225V86.5Confident82.5Confident56 Ų5651.1 Ų51.134%0.33930%0.295SS..Hα-helixtrans-62.3-44.3175.2168.40000111.4F1212 T1221 L1222 C1223 Q1227 L1228 F1229F1212-V1225 HydrophobicContact CE1-CG1 4.31Å; T1221-V1225 VanDerWaalsContact O-CG2 3.31Å; T1221-V1225 WeakPolarHBondContact O-CG2 3.47Å; T1221-V1225 PolarHBondContact O-N 3.19Å; L1222-V1225 PolarHBondContact O-N 2.9Å; C1223-V1225 VanDerWaalsContact C-N 3.34Å; C1223-V1225 PolarHBondContact O-N 2.88Å; V1225-Q1227 VanDerWaalsContact C-N 3.32Å; V1225-Q1227 PolarHBondContact O-N 3.45Å; V1225-L1228 PolarHBondContact O-N 3.36Å; V1225-F1229 HydrophobicContact CG1-CD2 4.04Å; V1225-F1229 HydrophobicContact CG1-CE2 4.38Å; V1225-F1229 PolarHBondContact O-N 2.83Å; V1225-F1229 VanDerWaalsContact O-N 3.13Å
1226R85.2Confident82.9Confident8 Ų852.7 Ų52.73%0.0329%0.294CS..Hα-helixtrans-58.6-42.4175.5-175.9-174.3164.5-152.6-17.1111.4F1212 L1222 C1223 S1230 I1231 F1247 C1251 V1253F1212-R1226 HydrophobicContact CD1-CB 4.21Å; L1222-R1226 WeakPolarHBondContact O-CB 3.41Å; L1222-R1226 PolarHBondContact O-N 3.42Å; C1223-R1226 WeakPolarHBondContact O-CB 3.32Å; C1223-R1226 PolarHBondContact O-N 2.73Å; R1226-S1230 CarbonylContact O-C 3.59Å; R1226-S1230 VanDerWaalsContact O-CA 3.29Å; R1226-S1230 WeakPolarHBondContact O-CA 3.28Å; R1226-S1230 PolarHBondContact O-N 3.4Å; R1226-S1230 VanDerWaalsContact O-N 3.09Å; R1226-I1231 HydrophobicContact CG-CB 4.23Å; R1226-I1231 WeakPolarHBondContact CG-O 3.34Å; R1226-I1231 PolarHBondContact NE-O 3.22Å; R1226-I1231 PolarHBondContact O-N 3.17Å; R1226-F1247 PolarHBondContact NH1-O 3.13Å; R1226-C1251 PolarHBondContact NH1-O 3.49Å; R1226-C1251 PolarHBondContact NH2-O 3.29Å; R1226-V1253 HydrophobicContact CG-CG2 4.12Å
1227Q82.6Confident82.9Confident19 Ų1954.4 Ų54.49%0.08929%0.288CS..Hα-helixtrans-72-40.1176.4-73177.6-20.300112.9C1223 I1224 V1225 F1229 S1230 A1252 V1253 A1637C1223-Q1227 WeakPolarHBondContact O-CG 3.47Å; C1223-Q1227 PolarHBondContact O-N 3.2Å; I1224-Q1227 PolarHBondContact O-N 2.88Å; V1225-Q1227 VanDerWaalsContact C-N 3.32Å; V1225-Q1227 PolarHBondContact O-N 3.45Å; Q1227-F1229 PolarHBondContact O-N 3.15Å; Q1227-S1230 PolarHBondContact O-N 3.03Å; Q1227-A1252 PolarHBondContact NE2-O 3.43Å; Q1227-V1253 HydrophobicContact CG-CG2 3.89Å; Q1227-A1637 HydrophobicContact CG-CB 4.45Å
1228L85.4Confident83Confident47 Ų4752.2 Ų52.225%0.24626%0.264CS..Hα-helixtrans-66.2-39.1-177-164.692.9000112.9L1148 I1224 V1225 F1636L1148-L1228 HydrophobicContact CB-CD2 4.42Å; L1148-L1228 HydrophobicContact CB-CG 4.21Å; L1148-L1228 HydrophobicContact CD2-CD2 4.04Å; L1148-L1228 PolarHBondContact N-O 3.24Å; I1224-L1228 VanDerWaalsContact O-CB 3.24Å; I1224-L1228 WeakPolarHBondContact O-CB 3.42Å; I1224-L1228 PolarHBondContact O-N 2.88Å; V1225-L1228 PolarHBondContact O-N 3.36Å; L1228-F1636 HydrophobicContact CD1-CE1 4.32Å; L1228-F1636 HydrophobicContact CD1-CZ 4.43Å
1229F85.7Confident83Confident72 Ų7248 Ų4832%0.31625%0.251SS..THydrogen-bonded Turntrans-95.4-3.4177.1-70.2-72.3000113.8L1148 F1149 V1225 Q1227 I1231L1148-F1229 HydrophobicContact CD2-CE1 3.88Å; L1148-F1229 HydrophobicContact CD2-CZ 4.13Å; F1149-F1229 AromaticContact CE2-CD1 3.99Å; F1149-F1229 HydrophobicContact CE2-CD1 3.99Å; F1149-F1229 AromaticContact CZ-CD1 3.86Å; F1149-F1229 HydrophobicContact CZ-CD1 3.86Å; F1149-F1229 HydrophobicContact CZ-CE1 4.35Å; V1225-F1229 HydrophobicContact CG1-CD2 4.04Å; V1225-F1229 HydrophobicContact CG1-CE2 4.38Å; V1225-F1229 PolarHBondContact O-N 2.83Å; V1225-F1229 VanDerWaalsContact O-N 3.13Å; Q1227-F1229 PolarHBondContact O-N 3.15Å; F1229-I1231 HydrophobicContact CB-CD1 4.18Å; F1229-I1231 HydrophobicContact CB-CG1 3.86Å
1230S83.3Confident82.6Confident6 Ų652.8 Ų52.84%0.04228%0.279CS..THydrogen-bonded Turntrans50.256.9-172-166.20000113.5R1226 Q1227 T1232 V1253 E1257R1226-S1230 CarbonylContact O-C 3.59Å; R1226-S1230 VanDerWaalsContact O-CA 3.29Å; R1226-S1230 WeakPolarHBondContact O-CA 3.28Å; R1226-S1230 PolarHBondContact O-N 3.4Å; R1226-S1230 VanDerWaalsContact O-N 3.09Å; Q1227-S1230 PolarHBondContact O-N 3.03Å; S1230-T1232 PolarHBondContact O-N 2.81Å; S1230-V1253 WeakPolarHBondContact OG-CG1 3.34Å; S1230-E1257 WeakPolarHBondContact OG-CB 3.47Å
1231I85.3Confident82.4Confident12 Ų1246.3 Ų46.36%0.06225%0.251CS..  trans-80.7105.3179.5-54.7175.4000109L1201 F1212 R1226 F1229L1201-I1231 HydrophobicContact CD2-CD1 4.37Å; F1212-I1231 HydrophobicContact CE1-CD1 4.09Å; F1212-I1231 HydrophobicContact CE2-CD1 4.44Å; F1212-I1231 HydrophobicContact CE2-CG2 4.23Å; F1212-I1231 HydrophobicContact CZ-CD1 3.62Å; F1212-I1231 HydrophobicContact CZ-CG2 4.42Å; R1226-I1231 HydrophobicContact CG-CB 4.23Å; R1226-I1231 WeakPolarHBondContact CG-O 3.34Å; R1226-I1231 PolarHBondContact NE-O 3.22Å; R1226-I1231 PolarHBondContact O-N 3.17Å; F1229-I1231 HydrophobicContact CB-CD1 4.18Å; F1229-I1231 HydrophobicContact CB-CG1 3.86Å
1232T81.9Confident81.7Confident20 Ų2050.4 Ų50.412%0.12326%0.263CS..  trans-151.7150.2174-174.90000109.8Q1202 S1230 V1234 V1253 T1255Q1202-T1232 PolarHBondContact NE2-O 3.41Å; Q1202-T1232 PolarHBondContact OE1-O 2.82Å; S1230-T1232 PolarHBondContact O-N 2.81Å; T1232-V1234 HydrophobicContact CG2-CG2 4.28Å; T1232-V1253 HydrophobicContact CG2-CG1 4.39Å; T1232-T1255 HydrophobicContact CG2-CG2 4.34Å
1233C83.9Confident80.9Confident35 Ų3557.8 Ų57.824%0.23630%0.297CS..  trans-68.2136.2168.8-162.80000110C1206C1206-C1233 HydrophobicContact CB-CB 3.88Å; C1206-C1233 WeakPolarHBondContact CB-SG 3.23Å; C1206-C1233 WeakPolarHBondContact SG-CA 3.5Å; C1206-C1233 WeakPolarHBondContact SG-CB 3.17Å; C1206-C1233 CovalentContact SG-SG 2.04Å; C1206-C1233 PolarHBondContact SG-SG 2.73Å
1234V83Confident80.5Confident26 Ų2657 Ų5716%0.15829%0.291CS..  trans-120.9-19-178.1173.70000111.6T1232 N1236 N1259T1232-V1234 HydrophobicContact CG2-CG2 4.28Å; V1234-N1236 PolarHBondContact O-N 3.14Å; V1234-N1259 WeakPolarHBondContact CG1-OD1 3.4Å
1235N81.5Confident80.1Confident17 Ų1757.9 Ų57.99%0.09129%0.293CS..  trans-75.8114.8175.9-166.5-23.9000110.2Y1066 E1237 C1238Y1066-N1235 PolarHBondContact OH-ND2 2.87Å; N1235-E1237 PolarHBondContact O-N 2.72Å; N1235-E1237 PolarHBondContact OD1-N 3.48Å; N1235-C1238 WeakPolarHBondContact O-CB 2.98Å; N1235-C1238 PolarHBondContact O-N 3.31Å
1236N79.5Confident79.6Confident154 Ų15460.9 Ų60.982%0.82431%0.308SS*.THydrogen-bonded Turntrans-62.8-22.9-175.5-66.9-18.9000114.1V1234 C1238V1234-N1236 PolarHBondContact O-N 3.14Å; N1236-C1238 VanDerWaalsContact C-N 3.32Å
1237E78.5Confident79.3Confident89 Ų8961.5 Ų61.542%0.41631%0.311SS..THydrogen-bonded Turntrans-85.7-7.2-177-54.1-64.2158.500112.3Y1051 N1235Y1051-E1237 HydrophobicContact CD1-CB 4.48Å; Y1051-E1237 HydrophobicContact CE1-CB 3.74Å; Y1051-E1237 HydrophobicContact CE2-CB 3.86Å; Y1051-E1237 WeakPolarHBondContact OH-CB 3.42Å; Y1051-E1237 WeakPolarHBondContact OH-CG 3.41Å; N1235-E1237 PolarHBondContact O-N 2.72Å; N1235-E1237 PolarHBondContact OD1-N 3.48Å
1238C81.6Confident78.8Confident11 Ų1162.7 Ų62.77%0.07432%0.321CS..SBendtrans-80.2134.7170.5-69.90000110.6N1048 N1235 N1236N1048-C1238 HydrophobicContact CB-CB 4.47Å; N1048-C1238 WeakPolarHBondContact OD1-CA 3.32Å; N1048-C1238 WeakPolarHBondContact OD1-CB 3.45Å; N1235-C1238 WeakPolarHBondContact O-CB 2.98Å; N1235-C1238 PolarHBondContact O-N 3.31Å; N1236-C1238 VanDerWaalsContact C-N 3.32Å
1239H80.1Confident78.3Confident86 Ų8665.7 Ų65.740%0.39833%0.332SS..PPolyproline II helixtrans-61.7134.6173.9-78.7-150.2000111.3D1044 F1047 N1048 L1241D1044-H1239 HydrophobicContact CB-CB 4.03Å; D1044-H1239 IonicContact OD1-CE1 3.66Å; D1044-H1239 IonicContact OD1-CG 2.9Å; D1044-H1239 IonicContact OD1-ND1 2.57Å; D1044-H1239 PolarHBondContact OD1-ND1 2.93Å; F1047-H1239 HydrophobicContact CD1-CB 4.49Å; F1047-H1239 AromaticContact CD1-CD2 3.54Å; F1047-H1239 AromaticContact CD1-CG 3.94Å; F1047-H1239 AromaticContact CD1-NE2 3.93Å; F1047-H1239 AromaticContact CE1-CD2 3.4Å; F1047-H1239 VanDerWaalsContact CE1-CD2 3.4Å; F1047-H1239 WeakPolarHBondContact CE1-CD2 3Å; F1047-H1239 AromaticContact CE1-NE2 3.67Å; F1047-H1239 AromaticContact CZ-NE2 3.8Å; N1048-H1239 PolarHBondContact ND2-O 3.25Å; N1048-H1239 PolarHBondContact OD1-N 3.03Å; H1239-L1241 PolarHBondContact O-N 3.01Å
1240V71.7Confident77.8Confident110 Ų11066.4 Ų66.467%0.66735%0.352SS*.PPolyproline II helixtrans-70.4121.1169.3-178.40000108.4K1242V1240-K1242 PolarHBondContact O-N 3.37Å
1241L76.6Confident77.6Confident19 Ų1966.2 Ų66.210%0.09935%0.35CS..  trans-63.793.5176.8-66164.1000109.9D1044 A1045 L1209 H1239 E1243 L1244D1044-L1241 HydrophobicContact CB-CD2 4.01Å; A1045-L1241 HydrophobicContact CB-CD2 4Å; L1209-L1241 HydrophobicContact CB-CD1 3.8Å; H1239-L1241 PolarHBondContact O-N 3.01Å; L1241-E1243 PolarHBondContact O-N 3.01Å; L1241-L1244 HydrophobicContact CB-CB 4.47Å; L1241-L1244 HydrophobicContact CB-CD1 4.01Å; L1241-L1244 HydrophobicContact CD1-CD1 4.27Å; L1241-L1244 PolarHBondContact O-N 2.83Å
1242K70.6Confident77.2Confident160 Ų16067.8 Ų67.870%0.69637%0.365SS*.G310 helixtrans-56.4-36-170.9-70.7175.5-178.4164.60113.7V1240 L1244 E1245V1240-K1242 PolarHBondContact O-N 3.37Å; K1242-L1244 PolarHBondContact O-N 3.33Å; K1242-L1244 VanDerWaalsContact O-N 3.11Å; K1242-E1245 PolarHBondContact O-N 3.07Å
1243E67.5Low76.9Confident166 Ų16668.2 Ų68.278%0.77637%0.367SS*.G310 helixtrans-59.2-21.5177.4-61.2179.9158.800113.2L1241L1241-E1243 PolarHBondContact O-N 3.01Å
1244L76.2Confident76.4Confident10 Ų1069.8 Ų69.85%0.05237%0.371CS..G310 helixtrans-110.211.1-174.8-74.5131.6000113.7D1213 L1241 K1242 D1246 F1247 S1248D1213-L1244 HydrophobicContact CB-CD2 3.5Å; D1213-L1244 VanDerWaalsContact CB-CD2 3.5Å; L1241-L1244 HydrophobicContact CB-CB 4.47Å; L1241-L1244 HydrophobicContact CB-CD1 4.01Å; L1241-L1244 HydrophobicContact CD1-CD1 4.27Å; L1241-L1244 PolarHBondContact O-N 2.83Å; K1242-L1244 PolarHBondContact O-N 3.33Å; K1242-L1244 VanDerWaalsContact O-N 3.11Å; L1244-D1246 VanDerWaalsContact C-N 3.33Å; L1244-D1246 PolarHBondContact O-N 2.99Å; L1244-F1247 HydrophobicContact CD2-CB 4.1Å; L1244-F1247 HydrophobicContact CD2-CD1 3.73Å; L1244-F1247 HydrophobicContact CD2-CG 4.16Å; L1244-F1247 PolarHBondContact O-N 3.4Å; L1244-S1248 WeakPolarHBondContact O-CB 3.47Å; L1244-S1248 PolarHBondContact O-N 3.16Å
1245E74.9Confident76Confident92 Ų9272.5 Ų72.543%0.4339%0.388SS..Hα-helixtrans-62.3-40.6-179.2-158.3-168.2129.100111.6K1242 S1248 K1249K1242-E1245 PolarHBondContact O-N 3.07Å; E1245-S1248 WeakPolarHBondContact O-CB 3.44Å; E1245-S1248 PolarHBondContact O-N 3.46Å; E1245-S1248 PolarHBondContact O-OG 2.95Å; E1245-K1249 WeakPolarHBondContact O-CG 3.38Å; E1245-K1249 PolarHBondContact O-N 3.43Å; E1245-K1249 WeakPolarHBondContact OE1-CE 3.18Å; E1245-K1249 IonicContact OE1-NZ 2.72Å; E1245-K1249 PolarHBondContact OE1-NZ 3.02Å
1246D75.5Confident75.7Confident119 Ų11977.3 Ų77.364%0.63641%0.408SS*.Hα-helixtrans-71.6-36.4177.8-71.9-17.4000112.6L1244 S1248 K1249 A1250L1244-D1246 VanDerWaalsContact C-N 3.33Å; L1244-D1246 PolarHBondContact O-N 2.99Å; D1246-S1248 VanDerWaalsContact C-N 3.26Å; D1246-S1248 PolarHBondContact O-N 2.91Å; D1246-K1249 PolarHBondContact O-N 2.99Å; D1246-K1249 IonicContact OD1-NZ 3.82Å; D1246-K1249 PolarHBondContact OD1-NZ 3.07Å; D1246-A1250 WeakPolarHBondContact O-CB 3.33Å; D1246-A1250 PolarHBondContact O-N 2.92Å
1247F78.9Confident75.5Confident22 Ų2270.6 Ų70.610%0.09637%0.371CS..Hα-helixtrans-62.3-34.6168.5175.1-109.7000111.9F1212 D1213 R1226 L1244 C1251F1212-F1247 VanDerWaalsContact C-CZ 3.48Å; F1212-F1247 HydrophobicContact CB-CE1 3.86Å; F1212-F1247 HydrophobicContact CB-CZ 3.71Å; F1212-F1247 VanDerWaalsContact O-CZ 3.32Å; F1212-F1247 WeakPolarHBondContact O-CZ 3.39Å; D1213-F1247 HydrophobicContact CB-CB 4.27Å; D1213-F1247 HydrophobicContact CB-CD1 3.96Å; D1213-F1247 HydrophobicContact CB-CD2 3.78Å; D1213-F1247 HydrophobicContact CB-CE1 4.22Å; D1213-F1247 HydrophobicContact CB-CE2 4.08Å; D1213-F1247 HydrophobicContact CB-CG 3.73Å; D1213-F1247 HydrophobicContact CB-CZ 4.29Å; D1213-F1247 WeakPolarHBondContact OD1-CD2 2.94Å; R1226-F1247 PolarHBondContact NH1-O 3.13Å; L1244-F1247 HydrophobicContact CD2-CB 4.1Å; L1244-F1247 HydrophobicContact CD2-CD1 3.73Å; L1244-F1247 HydrophobicContact CD2-CG 4.16Å; L1244-F1247 PolarHBondContact O-N 3.4Å; F1247-C1251 HydrophobicContact CE2-CB 4.13Å; F1247-C1251 HydrophobicContact CZ-CB 4.28Å; F1247-C1251 WeakPolarHBondContact O-CB 3.33Å; F1247-C1251 PolarHBondContact O-N 2.74Å
1248S73.3Confident75.4Confident43 Ų4366.5 Ų66.530%0.30135%0.354SS..Hα-helixtrans-66.2-36.517590.40000112.5L1244 E1245 D1246 C1251 A1252L1244-S1248 WeakPolarHBondContact O-CB 3.47Å; L1244-S1248 PolarHBondContact O-N 3.16Å; E1245-S1248 WeakPolarHBondContact O-CB 3.44Å; E1245-S1248 PolarHBondContact O-N 3.46Å; E1245-S1248 PolarHBondContact O-OG 2.95Å; D1246-S1248 VanDerWaalsContact C-N 3.26Å; D1246-S1248 PolarHBondContact O-N 2.91Å; S1248-C1251 CarbonylContact O-C 3.38Å; S1248-A1252 WeakPolarHBondContact O-CA 3.2Å; S1248-A1252 PolarHBondContact O-N 3.25Å
1249K74.5Confident75.5Confident110 Ų11068.9 Ų68.948%0.47837%0.366SS..Hα-helixtrans-74.2-41.1175.7-67.7165.8-167.4152.90111.9E1245 D1246E1245-K1249 WeakPolarHBondContact O-CG 3.38Å; E1245-K1249 PolarHBondContact O-N 3.43Å; E1245-K1249 WeakPolarHBondContact OE1-CE 3.18Å; E1245-K1249 IonicContact OE1-NZ 2.72Å; E1245-K1249 PolarHBondContact OE1-NZ 3.02Å; D1246-K1249 PolarHBondContact O-N 2.99Å; D1246-K1249 IonicContact OD1-NZ 3.82Å; D1246-K1249 PolarHBondContact OD1-NZ 3.07Å
1250A75.3Confident75.9Confident88 Ų8864.8 Ų64.873%0.72735%0.347SS*.Hα-helixtrans-67.6-39.3177.700000112.2D1246D1246-A1250 WeakPolarHBondContact O-CB 3.33Å; D1246-A1250 PolarHBondContact O-N 2.92Å
1251C80Confident76.6Confident2 Ų260.5 Ų60.51%0.01433%0.325CS..THydrogen-bonded Turntrans-115.565.9177.9-168.60000110.8C1223 R1226 F1247 S1248C1223-C1251 WeakPolarHBondContact CA-SG 3.44Å; C1223-C1251 HydrophobicContact CB-CB 4Å; C1223-C1251 WeakPolarHBondContact CB-SG 3.27Å; C1223-C1251 WeakPolarHBondContact SG-CB 3.37Å; C1223-C1251 CovalentContact SG-SG 2.04Å; C1223-C1251 PolarHBondContact SG-SG 3.21Å; R1226-C1251 PolarHBondContact NH1-O 3.49Å; R1226-C1251 PolarHBondContact NH2-O 3.29Å; F1247-C1251 HydrophobicContact CE2-CB 4.13Å; F1247-C1251 HydrophobicContact CZ-CB 4.28Å; F1247-C1251 WeakPolarHBondContact O-CB 3.33Å; F1247-C1251 PolarHBondContact O-N 2.74Å; S1248-C1251 CarbonylContact O-C 3.38Å
1252A76.3Confident77.2Confident44 Ų4465.2 Ų65.236%0.36434%0.344SS..  trans-64.7142.7-177.800000112.7Q1227 S1248Q1227-A1252 PolarHBondContact NE2-O 3.43Å; S1248-A1252 WeakPolarHBondContact O-CA 3.2Å; S1248-A1252 PolarHBondContact O-N 3.25Å
1253V75.9Confident78.1Confident29 Ų2957.7 Ų57.718%0.17631%0.312CS..  trans-140.9138.6178.2176.60000108.3R1226 Q1227 S1230 T1232 T1255R1226-V1253 HydrophobicContact CG-CG2 4.12Å; Q1227-V1253 HydrophobicContact CG-CG2 3.89Å; S1230-V1253 WeakPolarHBondContact OG-CG1 3.34Å; T1232-V1253 HydrophobicContact CG2-CG1 4.39Å; V1253-T1255 PolarHBondContact O-N 2.9Å
1254E74Confident79.2Confident69 Ų6950.2 Ų50.232%0.32228%0.278SS..  trans-79.1117.2178.3-69.1-169.4-154.200112.1K1256 E1257 Q1665E1254-K1256 PolarHBondContact O-N 3.38Å; E1254-K1256 VanDerWaalsContact O-N 3.11Å; E1254-E1257 HydrophobicContact CB-CG 4.32Å; E1254-E1257 PolarHBondContact O-N 3.41Å; E1254-E1257 VanDerWaalsContact O-N 3.11Å; E1254-Q1665 PolarHBondContact OE1-NE2 2.96Å
1255T73Confident80Confident82 Ų8253.8 Ų53.850%0.50330%0.296SS..Hα-helixtrans-60.5-21.9-179.755.10000114.1T1232 V1253 E1257 G1258 N1259T1232-T1255 HydrophobicContact CG2-CG2 4.34Å; V1253-T1255 PolarHBondContact O-N 2.9Å; T1255-E1257 PolarHBondContact O-N 2.87Å; T1255-G1258 PolarHBondContact O-N 2.91Å; T1255-N1259 PolarHBondContact O-ND2 3.31Å
1256K76.4Confident80.7Confident118 Ų11849.4 Ų49.451%0.51328%0.275SS..Hα-helixtrans-58.6-32.5174.8-66.2175.2-173161.90112.4E1254 N1259 D1667E1254-K1256 PolarHBondContact O-N 3.38Å; E1254-K1256 VanDerWaalsContact O-N 3.11Å; K1256-N1259 WeakPolarHBondContact O-CB 3.46Å; K1256-N1259 PolarHBondContact O-N 3.49Å; K1256-D1667 IonicContact NZ-OD2 3.37Å; K1256-D1667 PolarHBondContact NZ-OD2 3.41Å
1257E74.7Confident81.6Confident13 Ų1343.9 Ų43.96%0.06125%0.246CC..Hα-helixtrans-79.1-29.3-173.1-55.8-167.8-174.600114T1146 S1147 K1198 S1230 E1254 T1255 N1259T1146-E1257 WeakPolarHBondContact CA-OE1 3.47Å; T1146-E1257 WeakPolarHBondContact CB-OE1 3.49Å; T1146-E1257 PolarHBondContact N-OE1 2.81Å; T1146-E1257 PolarHBondContact N-OE2 3.44Å; T1146-E1257 PolarHBondContact OG1-OE1 2.86Å; S1147-E1257 WeakPolarHBondContact CB-OE2 3.33Å; S1147-E1257 PolarHBondContact N-OE2 2.92Å; K1198-E1257 WeakPolarHBondContact CE-O 3.43Å; K1198-E1257 PolarHBondContact NZ-O 2.8Å; K1198-E1257 VanDerWaalsContact NZ-O 3.1Å; S1230-E1257 WeakPolarHBondContact OG-CB 3.47Å; E1254-E1257 HydrophobicContact CB-CG 4.32Å; E1254-E1257 PolarHBondContact O-N 3.41Å; E1254-E1257 VanDerWaalsContact O-N 3.11Å; T1255-E1257 PolarHBondContact O-N 2.87Å; E1257-N1259 PolarHBondContact O-N 3.21Å
1258G76.1Confident82.2Confident4 Ų443.9 Ų43.94%0.04125%0.249CC..Hα-helixtrans-68.7-18.3174.900000113.3T1255T1255-G1258 PolarHBondContact O-N 2.91Å
1259N83.8Confident83.1Confident61 Ų6146 Ų4633%0.32625%0.252SS..  trans-67.9144174.4-76.8-72.3000111.8K1198 V1234 T1255 K1256 E1257K1198-N1259 PolarHBondContact NZ-O 2.96Å; V1234-N1259 WeakPolarHBondContact CG1-OD1 3.4Å; T1255-N1259 PolarHBondContact O-ND2 3.31Å; K1256-N1259 WeakPolarHBondContact O-CB 3.46Å; K1256-N1259 PolarHBondContact O-N 3.49Å; E1257-N1259 PolarHBondContact O-N 3.21Å
1260I89.2Confident84Confident0 Ų040.7 Ų40.70%023%0.23CC..  trans-97.71.7177.966.2164.8000114.1I973 F974 M977 I1195 K1198 V1199 F1262 D1263 V1264I973-I1260 HydrophobicContact CG2-CD1 3.74Å; F974-I1260 HydrophobicContact CB-CD1 3.93Å; F974-I1260 HydrophobicContact CB-CG1 3.86Å; F974-I1260 HydrophobicContact CD2-CG1 3.71Å; F974-I1260 HydrophobicContact CG-CG1 4.21Å; M977-I1260 HydrophobicContact CE-CG1 4.33Å; M977-I1260 HydrophobicContact CE-CG2 3.94Å; M977-I1260 HydrophobicContact SD-CD1 3.81Å; M977-I1260 HydrophobicContact SD-CG1 3.84Å; M977-I1260 HydrophobicContact SD-CG2 4.35Å; I1195-I1260 HydrophobicContact CG2-CD1 4.09Å; K1198-I1260 HydrophobicContact CB-CG2 3.61Å; K1198-I1260 HydrophobicContact CD-CG2 3.62Å; K1198-I1260 HydrophobicContact CG-CG2 4.29Å; V1199-I1260 HydrophobicContact CG2-CD1 4.32Å; I1260-F1262 PolarHBondContact O-N 2.85Å; I1260-D1263 WeakPolarHBondContact O-CA 3.42Å; I1260-D1263 WeakPolarHBondContact O-CB 3.1Å; I1260-D1263 PolarHBondContact O-N 3.3Å; I1260-V1264 HydrophobicContact CD1-CG2 4.08Å; I1260-V1264 HydrophobicContact CG1-CG2 4.28Å; I1260-V1264 PolarHBondContact O-N 3.16Å
1261G86.8Confident84.7Confident20 Ų2037.3 Ų37.321%0.20620%0.2CC..Hα-helixtrans-55.9-43.3-17100000114.6D1263 V1264 I1265G1261-D1263 VanDerWaalsContact C-N 3.34Å; G1261-D1263 PolarHBondContact O-N 2.95Å; G1261-V1264 PolarHBondContact O-N 2.81Å; G1261-I1265 WeakPolarHBondContact O-CG1 3.34Å; G1261-I1265 PolarHBondContact O-N 3.45Å
1262F88Confident85.2Confident117 Ų11740.9 Ų40.951%0.51322%0.215SC..Hα-helixtrans-69-30.5175.8-71.8-74.1000113.1A1141 A1144 I1260 I1265 A1266A1141-F1262 HydrophobicContact CB-CB 4.16Å; A1144-F1262 HydrophobicContact CB-CD1 4.35Å; A1144-F1262 HydrophobicContact CB-CD2 3.55Å; A1144-F1262 HydrophobicContact CB-CE1 4.41Å; A1144-F1262 HydrophobicContact CB-CE2 3.62Å; A1144-F1262 HydrophobicContact CB-CG 3.94Å; A1144-F1262 HydrophobicContact CB-CZ 4.07Å; I1260-F1262 PolarHBondContact O-N 2.85Å; F1262-I1265 PolarHBondContact O-N 3.12Å; F1262-A1266 WeakPolarHBondContact O-CB 3.32Å; F1262-A1266 PolarHBondContact O-N 2.97Å
1263D90.3Very high85.9Confident3 Ų339 Ų392%0.01620%0.199CC..Hα-helixtrans-67.6-39.6175.6-58.1-66.1000111.1Y1153 I1195 K1198 I1260 G1261 A1266 L1267Y1153-D1263 WeakPolarHBondContact CE2-OD1 3.41Å; Y1153-D1263 VanDerWaalsContact CZ-OD1 3.26Å; Y1153-D1263 PolarHBondContact OH-OD1 3.02Å; I1195-D1263 HydrophobicContact CD1-CB 4.07Å; I1195-D1263 HydrophobicContact CG1-CB 3.61Å; K1198-D1263 IonicContact NZ-OD2 3.97Å; K1198-D1263 PolarHBondContact NZ-OD2 3.22Å; I1260-D1263 WeakPolarHBondContact O-CA 3.42Å; I1260-D1263 WeakPolarHBondContact O-CB 3.1Å; I1260-D1263 PolarHBondContact O-N 3.3Å; G1261-D1263 VanDerWaalsContact C-N 3.34Å; G1261-D1263 PolarHBondContact O-N 2.95Å; D1263-A1266 PolarHBondContact O-N 3.36Å; D1263-L1267 WeakPolarHBondContact O-CB 3.48Å; D1263-L1267 PolarHBondContact O-N 3.46Å
1264V91.2Very high86.5Confident9 Ų938.9 Ų38.96%0.05520%0.197CC..Hα-helixtrans-67.5-34.8175.5178.70000112G970 I971 F974 I1195 I1260 G1261 S1268G970-V1264 WeakPolarHBondContact O-CG2 3.3Å; I971-V1264 HydrophobicContact CG1-CG1 4.31Å; F974-V1264 HydrophobicContact CB-CG2 4.37Å; I1195-V1264 HydrophobicContact CD1-CG2 4.41Å; I1260-V1264 HydrophobicContact CD1-CG2 4.08Å; I1260-V1264 HydrophobicContact CG1-CG2 4.28Å; I1260-V1264 PolarHBondContact O-N 3.16Å; G1261-V1264 PolarHBondContact O-N 2.81Å; V1264-S1268 PolarHBondContact O-N 2.93Å; V1264-S1268 PolarHBondContact O-OG 3.12Å
1265I91.3Very high87.2Confident84 Ų8438.6 Ų38.643%0.43119%0.193SC..Hα-helixtrans-66.4-46.9172.4-66.1168.4000110.4G1261 F1262 L1267 S1268 F1269G1261-I1265 WeakPolarHBondContact O-CG1 3.34Å; G1261-I1265 PolarHBondContact O-N 3.45Å; F1262-I1265 PolarHBondContact O-N 3.12Å; I1265-L1267 VanDerWaalsContact C-N 3.35Å; I1265-L1267 PolarHBondContact O-N 3.17Å; I1265-S1268 WeakPolarHBondContact O-CB 3.34Å; I1265-S1268 PolarHBondContact O-N 3.24Å; I1265-F1269 HydrophobicContact CG2-CD2 4.04Å; I1265-F1269 HydrophobicContact CG2-CE2 3.97Å; I1265-F1269 WeakPolarHBondContact O-CD2 3.35Å; I1265-F1269 PolarHBondContact O-N 2.94Å; I1265-F1269 VanDerWaalsContact O-N 3.15Å
1266A91.1Very high88Confident0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-59.8-43.9176.300000111.9T1138 A1141 T1191 F1262 D1263 S1268 F1269 L1270T1138-A1266 HydrophobicContact CG2-CB 4.08Å; A1141-A1266 HydrophobicContact CB-CB 4.33Å; T1191-A1266 HydrophobicContact CG2-CB 4.24Å; F1262-A1266 WeakPolarHBondContact O-CB 3.32Å; F1262-A1266 PolarHBondContact O-N 2.97Å; D1263-A1266 PolarHBondContact O-N 3.36Å; A1266-S1268 VanDerWaalsContact C-N 3.33Å; A1266-S1268 PolarHBondContact O-N 2.94Å; A1266-F1269 PolarHBondContact O-N 3.45Å; A1266-L1270 VanDerWaalsContact O-CG 3.31Å; A1266-L1270 WeakPolarHBondContact O-CG 3.48Å; A1266-L1270 PolarHBondContact O-N 3.45Å
1267L93.1Very high88.6Confident3 Ų330.3 Ų30.32%0.01615%0.151CC..Hα-helixtrans-55.5-46173.2177.268.2000111.7L988 L1188 L1192 I1195 D1263 I1265 F1269 L1270 V1271L988-L1267 HydrophobicContact CD2-CD2 3.94Å; L1188-L1267 HydrophobicContact CD1-CD1 3.54Å; L1192-L1267 HydrophobicContact CD2-CD1 3.94Å; L1192-L1267 HydrophobicContact CG-CD1 4.3Å; I1195-L1267 HydrophobicContact CD1-CB 4.42Å; I1195-L1267 HydrophobicContact CD1-CD2 4.12Å; D1263-L1267 WeakPolarHBondContact O-CB 3.48Å; D1263-L1267 PolarHBondContact O-N 3.46Å; I1265-L1267 VanDerWaalsContact C-N 3.35Å; I1265-L1267 PolarHBondContact O-N 3.17Å; L1267-F1269 PolarHBondContact O-N 3.5Å; L1267-L1270 PolarHBondContact O-N 2.84Å; L1267-V1271 HydrophobicContact CD1-CG2 4.15Å; L1267-V1271 HydrophobicContact CG-CG2 4.46Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.45Å; L1267-V1271 PolarHBondContact O-N 2.74Å
1268S92Very high89.1Confident23 Ų2331.7 Ų31.716%0.16116%0.157CC..Hα-helixtrans-58.6-47.1179.4-59.30000111.8V1264 I1265 A1266 F1272V1264-S1268 PolarHBondContact O-N 2.93Å; V1264-S1268 PolarHBondContact O-OG 3.12Å; I1265-S1268 WeakPolarHBondContact O-CB 3.34Å; I1265-S1268 PolarHBondContact O-N 3.24Å; A1266-S1268 VanDerWaalsContact C-N 3.33Å; A1266-S1268 PolarHBondContact O-N 2.94Å; S1268-F1272 VanDerWaalsContact O-CD2 3.26Å; S1268-F1272 WeakPolarHBondContact O-CD2 3.32Å; S1268-F1272 PolarHBondContact O-N 3.25Å
1269F92.6Very high89.5Confident86 Ų8632.7 Ų32.738%0.37716%0.163SC..Hα-helixtrans-65.8-40.4176.4-81.9-73.5000112.8I1133 T1134 S1137 I1265 A1266 L1267 F1272 Q1273I1133-F1269 HydrophobicContact CG2-CE1 4.12Å; T1134-F1269 HydrophobicContact CG2-CB 3.89Å; T1134-F1269 HydrophobicContact CG2-CD1 4.16Å; T1134-F1269 HydrophobicContact CG2-CG 4.44Å; S1137-F1269 VanDerWaalsContact OG-CD2 3.28Å; S1137-F1269 WeakPolarHBondContact OG-CD2 3.23Å; I1265-F1269 HydrophobicContact CG2-CD2 4.04Å; I1265-F1269 HydrophobicContact CG2-CE2 3.97Å; I1265-F1269 WeakPolarHBondContact O-CD2 3.35Å; I1265-F1269 PolarHBondContact O-N 2.94Å; I1265-F1269 VanDerWaalsContact O-N 3.15Å; A1266-F1269 PolarHBondContact O-N 3.45Å; L1267-F1269 PolarHBondContact O-N 3.5Å; F1269-F1272 PolarHBondContact O-N 2.84Å; F1269-Q1273 VanDerWaalsContact O-CB 3.29Å; F1269-Q1273 WeakPolarHBondContact O-CB 3.41Å; F1269-Q1273 PolarHBondContact O-N 2.94Å
1270L92.6Very high89.7Confident0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-63.8-44.4178.4-72.1170.4000112.4T1138 W1184 L1187 L1188 T1191 A1266 L1267 F1272 Q1273 I1274T1138-L1270 HydrophobicContact CG2-CD1 4.25Å; T1138-L1270 HydrophobicContact CG2-CD2 4.41Å; T1138-L1270 HydrophobicContact CG2-CG 4.37Å; W1184-L1270 HydrophobicContact CE3-CD2 3.61Å; W1184-L1270 HydrophobicContact CZ3-CD2 3.6Å; L1187-L1270 HydrophobicContact CD2-CD2 3.99Å; L1187-L1270 HydrophobicContact CG-CD1 4.24Å; L1187-L1270 HydrophobicContact CG-CD2 4.17Å; L1188-L1270 HydrophobicContact CD1-CB 4.18Å; T1191-L1270 HydrophobicContact CG2-CD1 3.57Å; A1266-L1270 VanDerWaalsContact O-CG 3.31Å; A1266-L1270 WeakPolarHBondContact O-CG 3.48Å; A1266-L1270 PolarHBondContact O-N 3.45Å; L1267-L1270 PolarHBondContact O-N 2.84Å; L1270-F1272 PolarHBondContact O-N 2.74Å; L1270-Q1273 PolarHBondContact O-N 2.86Å; L1270-I1274 WeakPolarHBondContact O-CG1 3.42Å; L1270-I1274 PolarHBondContact O-N 3.4Å
1271V91Very high89.6Confident16 Ų1635.5 Ų35.510%0.09717%0.17CC..Hα-helixtrans-59.6-46.6177169.10000111E963 M966 L1188 L1267 R1275E963-V1271 HydrophobicContact CB-CG1 4.02Å; E963-V1271 HydrophobicContact CG-CG1 3.88Å; M966-V1271 HydrophobicContact CE-CG1 3.81Å; L1188-V1271 HydrophobicContact CD1-CG2 4.49Å; L1267-V1271 HydrophobicContact CD1-CG2 4.15Å; L1267-V1271 HydrophobicContact CG-CG2 4.46Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.45Å; L1267-V1271 PolarHBondContact O-N 2.74Å; V1271-R1275 PolarHBondContact O-N 3.48Å; V1271-R1275 VanDerWaalsContact O-N 3.15Å
1272F89.9Confident89.7Confident78 Ų7834.6 Ų34.634%0.34216%0.16SC..Hα-helixtrans-66.1-38.4175.9-80.7-62.4000113.1F960 E963 I967 S1268 F1269 L1270 R1275 I1276F960-F1272 HydrophobicContact CD1-CE1 4.2Å; E963-F1272 HydrophobicContact CB-CE1 4.4Å; I967-F1272 HydrophobicContact CD1-CD2 4.3Å; I967-F1272 HydrophobicContact CD1-CE2 3.61Å; I967-F1272 HydrophobicContact CD1-CZ 4.26Å; S1268-F1272 VanDerWaalsContact O-CD2 3.26Å; S1268-F1272 WeakPolarHBondContact O-CD2 3.32Å; S1268-F1272 PolarHBondContact O-N 3.25Å; F1269-F1272 PolarHBondContact O-N 2.84Å; L1270-F1272 PolarHBondContact O-N 2.74Å; F1272-R1275 PolarHBondContact O-N 3.36Å; F1272-I1276 WeakPolarHBondContact O-CG1 3.17Å; F1272-I1276 PolarHBondContact O-N 3.35Å
1273Q91.2Very high89.7Confident3 Ų329.2 Ų29.21%0.01414%0.137CC..Hα-helixtrans-68.8-36179.9-172.757.839.500112.5T1134 F1269 L1270 I1276 F1277T1134-Q1273 HydrophobicContact CG2-CB 3.68Å; T1134-Q1273 HydrophobicContact CG2-CG 3.95Å; F1269-Q1273 VanDerWaalsContact O-CB 3.29Å; F1269-Q1273 WeakPolarHBondContact O-CB 3.41Å; F1269-Q1273 PolarHBondContact O-N 2.94Å; L1270-Q1273 PolarHBondContact O-N 2.86Å; Q1273-I1276 WeakPolarHBondContact O-CB 3.5Å; Q1273-I1276 PolarHBondContact O-N 3.33Å; Q1273-F1277 HydrophobicContact CG-CD2 4.4Å; Q1273-F1277 HydrophobicContact CG-CE2 3.76Å; Q1273-F1277 HydrophobicContact CG-CZ 3.83Å; Q1273-F1277 WeakPolarHBondContact O-CD2 3.28Å; Q1273-F1277 WeakPolarHBondContact O-CG 3.48Å; Q1273-F1277 PolarHBondContact O-N 2.85Å
1274I88.9Confident89.6Confident28 Ų2830.4 Ų30.414%0.14414%0.142CC..Hα-helixtrans-64.4-43.2171.6-69.7165.7000110.1L1188 L1270 I1276 F1277 H1278L1188-I1274 HydrophobicContact CB-CD1 4.26Å; L1188-I1274 HydrophobicContact CD2-CD1 3.7Å; L1188-I1274 HydrophobicContact CG-CD1 4.45Å; L1270-I1274 WeakPolarHBondContact O-CG1 3.42Å; L1270-I1274 PolarHBondContact O-N 3.4Å; I1274-I1276 VanDerWaalsContact C-N 3.28Å; I1274-I1276 PolarHBondContact O-N 3.4Å; I1274-F1277 PolarHBondContact O-N 3.05Å; I1274-H1278 PolarHBondContact O-CD2 3.38Å; I1274-H1278 PolarHBondContact O-N 3.27Å
1275R88.1Confident89.5Confident62 Ų6230 Ų3023%0.23414%0.139CC..Hα-helixtrans-60.6-36.3173.6-169.863.2169.3163-0.9112.3E963 N1091 V1271 F1272 H1278E963-R1275 WeakPolarHBondContact OE1-CD 3.3Å; E963-R1275 IonicContact OE1-NE 3.53Å; E963-R1275 PolarHBondContact OE1-NE 3.5Å; N1091-R1275 PolarHBondContact O-NH1 3.05Å; N1091-R1275 VanDerWaalsContact O-NH1 3.13Å; N1091-R1275 PolarHBondContact O-NH2 3.19Å; V1271-R1275 PolarHBondContact O-N 3.48Å; V1271-R1275 VanDerWaalsContact O-N 3.15Å; F1272-R1275 PolarHBondContact O-N 3.36Å; R1275-H1278 PolarHBondContact O-N 3.48Å
1276I89.4Confident89.2Confident25 Ų2526 Ų2613%0.12812%0.119CC..Hα-helixtrans-61.8-46.3172.9-79.5165.5000111.8V1126 F1127 F1272 Q1273 I1274 H1278 S1279 F1282V1126-I1276 HydrophobicContact CG1-CD1 3.83Å; V1126-I1276 HydrophobicContact CG1-CG1 4.48Å; F1127-I1276 HydrophobicContact CD1-CG1 4.23Å; F1127-I1276 HydrophobicContact CD1-CG2 3.95Å; F1127-I1276 HydrophobicContact CE1-CG1 4.07Å; F1127-I1276 HydrophobicContact CE1-CG2 4.48Å; F1272-I1276 WeakPolarHBondContact O-CG1 3.17Å; F1272-I1276 PolarHBondContact O-N 3.35Å; Q1273-I1276 WeakPolarHBondContact O-CB 3.5Å; Q1273-I1276 PolarHBondContact O-N 3.33Å; I1274-I1276 VanDerWaalsContact C-N 3.28Å; I1274-I1276 PolarHBondContact O-N 3.4Å; I1276-H1278 PolarHBondContact O-N 3.26Å; I1276-S1279 VanDerWaalsContact O-CB 3.32Å; I1276-S1279 WeakPolarHBondContact O-CB 3.32Å; I1276-S1279 PolarHBondContact O-N 2.99Å; I1276-S1279 PolarHBondContact O-OG 3.09Å; I1276-F1282 HydrophobicContact CG2-CD2 4.21Å
1277F88.5Confident89Confident2 Ų227.2 Ų27.21%0.00913%0.127CC..Hα-helixtrans-63.4-24.7179-67-39.5000113.5Y1168 F1177 L1181 W1184 Q1273 I1274 S1279 F1282Y1168-F1277 AromaticContact CE1-CE1 3.83Å; Y1168-F1277 HydrophobicContact CE1-CE1 3.83Å; Y1168-F1277 AromaticContact CE1-CZ 3.93Å; Y1168-F1277 HydrophobicContact CE1-CZ 3.93Å; F1177-F1277 HydrophobicContact CZ-CB 4.2Å; L1181-F1277 HydrophobicContact CD1-CB 4.4Å; W1184-F1277 AromaticContact CD1-CE2 3.6Å; W1184-F1277 AromaticContact CD2-CE2 3.86Å; W1184-F1277 HydrophobicContact CD2-CE2 3.86Å; W1184-F1277 HydrophobicContact CD2-CZ 4.35Å; W1184-F1277 AromaticContact CE2-CE2 3.79Å; W1184-F1277 AromaticContact CE2-CZ 3.81Å; W1184-F1277 AromaticContact CG-CE2 3.76Å; W1184-F1277 HydrophobicContact CG-CE2 3.76Å; W1184-F1277 HydrophobicContact CZ2-CE2 4.49Å; W1184-F1277 HydrophobicContact CZ2-CZ 4.19Å; W1184-F1277 AromaticContact NE1-CE2 3.62Å; W1184-F1277 AromaticContact NE1-CZ 3.61Å; Q1273-F1277 HydrophobicContact CG-CD2 4.4Å; Q1273-F1277 HydrophobicContact CG-CE2 3.76Å; Q1273-F1277 HydrophobicContact CG-CZ 3.83Å; Q1273-F1277 WeakPolarHBondContact O-CD2 3.28Å; Q1273-F1277 WeakPolarHBondContact O-CG 3.48Å; Q1273-F1277 PolarHBondContact O-N 2.85Å; I1274-F1277 PolarHBondContact O-N 3.05Å; F1277-S1279 VanDerWaalsContact C-N 3.35Å; F1277-F1282 HydrophobicContact CD1-CD1 4.08Å; F1277-F1282 HydrophobicContact CD1-CD2 4.05Å; F1277-F1282 AromaticContact CD1-CE1 3.8Å; F1277-F1282 HydrophobicContact CD1-CE1 3.8Å; F1277-F1282 AromaticContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CG 4.21Å; F1277-F1282 AromaticContact CD1-CZ 3.62Å; F1277-F1282 HydrophobicContact CD1-CZ 3.62Å; F1277-F1282 HydrophobicContact CE1-CD2 4.4Å; F1277-F1282 HydrophobicContact CE1-CE1 4.2Å; F1277-F1282 AromaticContact CE1-CE2 3.7Å; F1277-F1282 HydrophobicContact CE1-CE2 3.7Å; F1277-F1282 AromaticContact CE1-CZ 3.59Å; F1277-F1282 HydrophobicContact CE1-CZ 3.59Å
1278H85.7Confident88.7Confident42 Ų4227.7 Ų27.719%0.19413%0.129CC..THydrogen-bonded Turntrans-88.511.4173.7-77.2-87.6000114.3I1094 Y1095 I1274 R1275 I1276I1094-H1278 VanDerWaalsContact CD1-O 3.3Å; I1094-H1278 WeakPolarHBondContact CD1-O 3.4Å; Y1095-H1278 AromaticContact CD2-ND1 3.86Å; I1274-H1278 PolarHBondContact O-CD2 3.38Å; I1274-H1278 PolarHBondContact O-N 3.27Å; R1275-H1278 PolarHBondContact O-N 3.48Å; I1276-H1278 PolarHBondContact O-N 3.26Å
1279S85.7Confident88.4Confident24 Ų2426.8 Ų26.817%0.16812%0.122CC..SBendtrans-106153.5-176.579.50000114.9F1127 I1276 F1277 Y1281 F1282F1127-S1279 WeakPolarHBondContact CE1-OG 3.24Å; I1276-S1279 VanDerWaalsContact O-CB 3.32Å; I1276-S1279 WeakPolarHBondContact O-CB 3.32Å; I1276-S1279 PolarHBondContact O-N 2.99Å; I1276-S1279 PolarHBondContact O-OG 3.09Å; F1277-S1279 VanDerWaalsContact C-N 3.35Å; S1279-Y1281 PolarHBondContact O-N 3.44Å; S1279-F1282 PolarHBondContact O-N 2.98Å
1280W86.5Confident88Confident82 Ų8222.8 Ų22.831%0.31110%0.104SC..Hα-helixtrans-67.2-25.9-175-72.9105.6000112.2I1094 K1103 N1106 P1107 Q1108 F1282I1094-W1280 VanDerWaalsContact CD1-CA 3.49Å; I1094-W1280 HydrophobicContact CD1-CB 3.92Å; I1094-W1280 VanDerWaalsContact CD1-CD1 3.49Å; I1094-W1280 HydrophobicContact CD1-CD2 3.47Å; I1094-W1280 VanDerWaalsContact CD1-CD2 3.47Å; I1094-W1280 HydrophobicContact CD1-CE3 4.13Å; I1094-W1280 HydrophobicContact CD1-CG 3.33Å; I1094-W1280 HydrophobicContact CG1-CD2 3.95Å; I1094-W1280 HydrophobicContact CG1-CG 4.11Å; I1094-W1280 HydrophobicContact CG1-CZ2 4.15Å; I1094-W1280 HydrophobicContact CG2-CD2 4.34Å; I1094-W1280 HydrophobicContact CG2-CE3 4.27Å; I1094-W1280 HydrophobicContact CG2-CH2 3.95Å; I1094-W1280 HydrophobicContact CG2-CZ2 3.98Å; I1094-W1280 HydrophobicContact CG2-CZ3 4.09Å; K1103-W1280 HydrophobicContact CB-CZ3 4.34Å; K1103-W1280 HydrophobicContact CD-CH2 4Å; K1103-W1280 HydrophobicContact CD-CZ3 4.28Å; N1106-W1280 PolarHBondContact ND2-O 3.1Å; P1107-W1280 HydrophobicContact CG-CD2 4.29Å; Q1108-W1280 HydrophobicContact CG-CB 4.41Å; W1280-F1282 VanDerWaalsContact C-N 3.33Å; W1280-F1282 PolarHBondContact O-N 3.03Å
1281Y88.6Confident87.6Confident39 Ų3922.8 Ų22.815%0.15310%0.104CC..Hα-helixtrans-71.8-25.8179.8-57.2-66.5000112.9Q1108 F1111 K1123 F1127 S1279Q1108-Y1281 HydrophobicContact CB-CD1 4.39Å; Q1108-Y1281 HydrophobicContact CB-CE1 3.97Å; Q1108-Y1281 HydrophobicContact CG-CE1 3.87Å; F1111-Y1281 HydrophobicContact CD1-CD1 4.02Å; F1111-Y1281 AromaticContact CE1-CD1 3.86Å; F1111-Y1281 HydrophobicContact CE1-CD1 3.86Å; F1111-Y1281 HydrophobicContact CE1-CG 4.27Å; F1111-Y1281 WeakPolarHBondContact CE1-O 3.34Å; F1111-Y1281 WeakPolarHBondContact CZ-O 3.3Å; K1123-Y1281 HydrophobicContact CD-CD1 4.48Å; K1123-Y1281 HydrophobicContact CD-CE1 4.3Å; F1127-Y1281 HydrophobicContact CD2-CD2 4.31Å; F1127-Y1281 HydrophobicContact CD2-CG 4.03Å; F1127-Y1281 HydrophobicContact CE1-CD2 4.06Å; F1127-Y1281 HydrophobicContact CE1-CG 4.45Å; F1127-Y1281 AromaticContact CE2-CD2 3.52Å; F1127-Y1281 HydrophobicContact CE2-CD2 3.52Å; F1127-Y1281 HydrophobicContact CE2-CE2 4.31Å; F1127-Y1281 AromaticContact CE2-CG 3.68Å; F1127-Y1281 HydrophobicContact CE2-CG 3.68Å; F1127-Y1281 AromaticContact CZ-CD2 3.38Å; F1127-Y1281 HydrophobicContact CZ-CD2 3.38Å; F1127-Y1281 HydrophobicContact CZ-CE2 4.23Å; F1127-Y1281 AromaticContact CZ-CG 3.93Å; F1127-Y1281 HydrophobicContact CZ-CG 3.93Å; S1279-Y1281 PolarHBondContact O-N 3.44Å
1282F88.8Confident87.2Confident0 Ų022.9 Ų22.90%010%0.103CC..Hα-helixtrans-72.8-27.8179.8-170.1-99.9000112.9Y1168 F1177 I1276 F1277 S1279 W1280 H1284 C1285 M1286Y1168-F1282 HydrophobicContact CD1-CE1 4.46Å; Y1168-F1282 AromaticContact CD1-CZ 3.85Å; Y1168-F1282 HydrophobicContact CD1-CZ 3.85Å; Y1168-F1282 HydrophobicContact CE1-CZ 4.21Å; Y1168-F1282 HydrophobicContact CG-CZ 4.33Å; F1177-F1282 HydrophobicContact CE2-CD1 4.32Å; F1177-F1282 AromaticContact CE2-CE1 3.86Å; F1177-F1282 HydrophobicContact CE2-CE1 3.86Å; I1276-F1282 HydrophobicContact CG2-CD2 4.21Å; F1277-F1282 HydrophobicContact CD1-CD1 4.08Å; F1277-F1282 HydrophobicContact CD1-CD2 4.05Å; F1277-F1282 AromaticContact CD1-CE1 3.8Å; F1277-F1282 HydrophobicContact CD1-CE1 3.8Å; F1277-F1282 AromaticContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CG 4.21Å; F1277-F1282 AromaticContact CD1-CZ 3.62Å; F1277-F1282 HydrophobicContact CD1-CZ 3.62Å; F1277-F1282 HydrophobicContact CE1-CD2 4.4Å; F1277-F1282 HydrophobicContact CE1-CE1 4.2Å; F1277-F1282 AromaticContact CE1-CE2 3.7Å; F1277-F1282 HydrophobicContact CE1-CE2 3.7Å; F1277-F1282 AromaticContact CE1-CZ 3.59Å; F1277-F1282 HydrophobicContact CE1-CZ 3.59Å; S1279-F1282 PolarHBondContact O-N 2.98Å; W1280-F1282 VanDerWaalsContact C-N 3.33Å; W1280-F1282 PolarHBondContact O-N 3.03Å; F1282-H1284 VanDerWaalsContact C-N 3.32Å; F1282-H1284 PolarHBondContact O-N 3.24Å; F1282-C1285 HydrophobicContact CD2-CB 4.35Å; F1282-C1285 HydrophobicContact CE2-CB 4.46Å; F1282-C1285 VanDerWaalsContact O-CB 3.31Å; F1282-C1285 WeakPolarHBondContact O-CB 3.4Å; F1282-C1285 PolarHBondContact O-N 3.05Å; F1282-M1286 HydrophobicContact CD1-CG 3.88Å; F1282-M1286 HydrophobicContact CD1-SD 3.86Å; F1282-M1286 HydrophobicContact CE1-CG 3.52Å; F1282-M1286 HydrophobicContact CE1-SD 3.68Å; F1282-M1286 HydrophobicContact CZ-CG 4.28Å; F1282-M1286 PolarHBondContact O-N 2.91Å; F1282-M1286 VanDerWaalsContact O-N 3.17Å
1283Q87.4Confident86.6Confident4 Ų421.9 Ų21.92%0.01910%0.104CC..Hα-helixtrans-61-38.3177.9-72.1-178.5-18.300112.5Y1095 C1285 M1286 V1287Y1095-Q1283 PolarHBondContact OH-NE2 3.42Å; Q1283-C1285 VanDerWaalsContact C-N 3.29Å; Q1283-C1285 PolarHBondContact O-N 3.38Å; Q1283-M1286 WeakPolarHBondContact O-CB 3.43Å; Q1283-M1286 PolarHBondContact O-N 3Å; Q1283-M1286 VanDerWaalsContact O-N 3.16Å; Q1283-V1287 PolarHBondContact O-N 2.89Å
1284H88.1Confident86.2Confident28 Ų2821.9 Ų21.913%0.1310%0.104CC..Hα-helixtrans-61.7-36173.3-72-49000112.2N1106 Q1108 F1111 I1112 F1282 M1286 V1287 E1288N1106-H1284 PolarHBondContact ND2-NE2 3.27Å; Q1108-H1284 PolarHBondContact O-NE2 3.18Å; F1111-H1284 HydrophobicContact CE1-CB 4.18Å; I1112-H1284 HydrophobicContact CD1-CB 4.12Å; F1282-H1284 VanDerWaalsContact C-N 3.32Å; F1282-H1284 PolarHBondContact O-N 3.24Å; H1284-M1286 VanDerWaalsContact C-N 3.35Å; H1284-M1286 PolarHBondContact O-N 2.73Å; H1284-V1287 PolarHBondContact O-N 3.38Å; H1284-E1288 PolarHBondContact O-N 3.39Å
1285C88.6Confident85.8Confident0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-65.9-36.2175.2-59.40000112.1I1112 F1282 Q1283 E1288 Y1289I1112-C1285 HydrophobicContact CD1-CB 4.37Å; F1282-C1285 HydrophobicContact CD2-CB 4.35Å; F1282-C1285 HydrophobicContact CE2-CB 4.46Å; F1282-C1285 VanDerWaalsContact O-CB 3.31Å; F1282-C1285 WeakPolarHBondContact O-CB 3.4Å; F1282-C1285 PolarHBondContact O-N 3.05Å; Q1283-C1285 VanDerWaalsContact C-N 3.29Å; Q1283-C1285 PolarHBondContact O-N 3.38Å; C1285-E1288 WeakPolarHBondContact O-CB 3.41Å; C1285-E1288 PolarHBondContact O-N 3Å; C1285-Y1289 HydrophobicContact CB-CE2 4.26Å; C1285-Y1289 WeakPolarHBondContact O-CD2 3.29Å; C1285-Y1289 PolarHBondContact O-N 2.78Å; C1285-Y1289 VanDerWaalsContact O-N 3.08Å
1286M86Confident85.1Confident1 Ų119.5 Ų19.51%0.00510%0.1CC..Hα-helixtrans-67.6-38.7176.9-62.2-178.367.200112.5I1102 M1170 F1177 F1282 Q1283 H1284 Y1289 R1290I1102-M1286 HydrophobicContact CD1-CB 4.43Å; M1170-M1286 HydrophobicContact CE-CE 3.81Å; M1170-M1286 HydrophobicContact CG-CE 3.71Å; M1170-M1286 HydrophobicContact SD-CE 3.58Å; M1170-M1286 VanDerWaalsContact SD-CE 3.58Å; F1177-M1286 HydrophobicContact CB-CE 4.45Å; F1177-M1286 HydrophobicContact CD2-CE 3.68Å; F1177-M1286 HydrophobicContact CD2-SD 4.01Å; F1177-M1286 HydrophobicContact CE2-CE 4.31Å; F1177-M1286 HydrophobicContact CE2-SD 4.03Å; F1177-M1286 HydrophobicContact CG-CE 4.31Å; F1282-M1286 HydrophobicContact CD1-CG 3.88Å; F1282-M1286 HydrophobicContact CD1-SD 3.86Å; F1282-M1286 HydrophobicContact CE1-CG 3.52Å; F1282-M1286 HydrophobicContact CE1-SD 3.68Å; F1282-M1286 HydrophobicContact CZ-CG 4.28Å; F1282-M1286 PolarHBondContact O-N 2.91Å; F1282-M1286 VanDerWaalsContact O-N 3.17Å; Q1283-M1286 WeakPolarHBondContact O-CB 3.43Å; Q1283-M1286 PolarHBondContact O-N 3Å; Q1283-M1286 VanDerWaalsContact O-N 3.16Å; H1284-M1286 VanDerWaalsContact C-N 3.35Å; H1284-M1286 PolarHBondContact O-N 2.73Å; M1286-Y1289 PolarHBondContact O-N 2.81Å; M1286-R1290 WeakPolarHBondContact O-CG 3.36Å; M1286-R1290 PolarHBondContact O-N 2.81Å
1287V86.1Confident84.5Confident26 Ų2621.8 Ų21.816%0.15811%0.112CC..Hα-helixtrans-65.5-40.6173.9176.50000110.8Q1283 H1284 R1290 S1291 K1507 L1514Q1283-V1287 PolarHBondContact O-N 2.89Å; H1284-V1287 PolarHBondContact O-N 3.38Å; V1287-R1290 PolarHBondContact O-N 3.32Å; V1287-S1291 PolarHBondContact O-N 2.89Å; V1287-S1291 VanDerWaalsContact O-N 3.07Å; V1287-K1507 HydrophobicContact CG1-CG 4.36Å; V1287-L1514 HydrophobicContact CG1-CB 4.29Å; V1287-L1514 HydrophobicContact CG1-CD1 4.4Å
1288E87.6Confident84.2Confident13 Ų1322.6 Ų22.66%0.06112%0.116CC..Hα-helixtrans-56.7-52.2173.5-178.561.5-160.100111.4I1112 H1284 C1285 R1290 S1291 E1292 K1503 K1507I1112-E1288 HydrophobicContact CD1-CB 4.17Å; I1112-E1288 HydrophobicContact CG2-CG 4.37Å; H1284-E1288 PolarHBondContact O-N 3.39Å; C1285-E1288 WeakPolarHBondContact O-CB 3.41Å; C1285-E1288 PolarHBondContact O-N 3Å; E1288-R1290 VanDerWaalsContact C-N 3.29Å; E1288-R1290 PolarHBondContact O-N 2.88Å; E1288-S1291 WeakPolarHBondContact O-CA 3.44Å; E1288-S1291 WeakPolarHBondContact O-CB 3.27Å; E1288-S1291 PolarHBondContact O-N 3.03Å; E1288-S1291 PolarHBondContact O-OG 2.81Å; E1288-E1292 VanDerWaalsContact O-CG 3.26Å; E1288-E1292 WeakPolarHBondContact O-CG 3.49Å; E1288-E1292 PolarHBondContact O-N 2.97Å; E1288-E1292 VanDerWaalsContact O-N 3.07Å; E1288-K1503 IonicContact OE1-NZ 3.21Å; E1288-K1503 PolarHBondContact OE1-NZ 2.92Å; E1288-K1507 WeakPolarHBondContact OE2-CE 3.07Å; E1288-K1507 IonicContact OE2-NZ 3.69Å; E1288-K1507 PolarHBondContact OE2-NZ 2.84Å
1289Y84.6Confident84.1Confident3 Ų320.6 Ų20.61%0.01211%0.106CC..Hα-helixtrans-59.9-35.2179.4-60.3-44.5000113.4H1128 H1131 N1165 Y1168 C1285 M1286 E1292 V1293H1128-Y1289 AromaticContact CE1-CE1 3.38Å; H1128-Y1289 WeakPolarHBondContact CE1-CE1 3.4Å; H1128-Y1289 AromaticContact CE1-CZ 3.79Å; H1128-Y1289 AromaticContact ND1-CE1 3.83Å; H1128-Y1289 AromaticContact ND1-CZ 3.75Å; H1128-Y1289 PolarHBondContact ND1-OH 3.16Å; H1128-Y1289 PolarHBondContact O-OH 2.95Å; H1128-Y1289 VanDerWaalsContact O-OH 3.04Å; H1131-Y1289 PolarHBondContact CE1-OH 3.11Å; H1131-Y1289 VanDerWaalsContact CE1-OH 3.32Å; N1165-Y1289 HydrophobicContact CB-CD1 4.26Å; Y1168-Y1289 HydrophobicContact CD2-CD2 4.36Å; Y1168-Y1289 HydrophobicContact CD2-CE2 4.02Å; Y1168-Y1289 HydrophobicContact CG-CD2 4.38Å; Y1168-Y1289 HydrophobicContact CG-CE2 4.27Å; C1285-Y1289 HydrophobicContact CB-CE2 4.26Å; C1285-Y1289 WeakPolarHBondContact O-CD2 3.29Å; C1285-Y1289 PolarHBondContact O-N 2.78Å; C1285-Y1289 VanDerWaalsContact O-N 3.08Å; M1286-Y1289 PolarHBondContact O-N 2.81Å; Y1289-E1292 PolarHBondContact O-N 2.97Å; Y1289-V1293 PolarHBondContact O-N 3Å
1290R84.4Confident83.7Confident2 Ų219.5 Ų19.51%0.00810%0.099CC..Hα-helixtrans-64.9-39.6173.2-70.6171.675.583.4-5.7111.6M1170 M1286 V1287 E1288 I1294 L1514 N1516M1170-R1290 PolarHBondContact O-NH1 3.33Å; M1286-R1290 WeakPolarHBondContact O-CG 3.36Å; M1286-R1290 PolarHBondContact O-N 2.81Å; V1287-R1290 PolarHBondContact O-N 3.32Å; E1288-R1290 VanDerWaalsContact C-N 3.29Å; E1288-R1290 PolarHBondContact O-N 2.88Å; R1290-I1294 WeakPolarHBondContact O-CG1 3.25Å; R1290-I1294 PolarHBondContact O-N 3.07Å; R1290-L1514 HydrophobicContact CB-CD2 4.44Å; R1290-L1514 WeakPolarHBondContact CD-O 3.29Å; R1290-L1514 PolarHBondContact NE-O 3.02Å; R1290-N1516 PolarHBondContact NH2-O 2.86Å
1291S84.5Confident83.3Confident0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-66.3-36.4177.880.80000113.2V1287 E1288 V1293 I1294 L1295V1287-S1291 PolarHBondContact O-N 2.89Å; V1287-S1291 VanDerWaalsContact O-N 3.07Å; E1288-S1291 WeakPolarHBondContact O-CA 3.44Å; E1288-S1291 WeakPolarHBondContact O-CB 3.27Å; E1288-S1291 PolarHBondContact O-N 3.03Å; E1288-S1291 PolarHBondContact O-OG 2.81Å; S1291-V1293 PolarHBondContact O-N 3.21Å; S1291-I1294 PolarHBondContact O-N 3.01Å; S1291-L1295 PolarHBondContact O-N 3.46Å
1292E82.2Confident83.1Confident18 Ų1816 Ų168%0.0849%0.09CC..Hα-helixtrans-63.1-43178.9-46.7-147.8106.200111.5E1288 Y1289 I1294 L1295 A1296 K1503E1288-E1292 VanDerWaalsContact O-CG 3.26Å; E1288-E1292 WeakPolarHBondContact O-CG 3.49Å; E1288-E1292 PolarHBondContact O-N 2.97Å; E1288-E1292 VanDerWaalsContact O-N 3.07Å; Y1289-E1292 PolarHBondContact O-N 2.97Å; E1292-I1294 VanDerWaalsContact C-N 3.32Å; E1292-I1294 PolarHBondContact O-N 3.29Å; E1292-L1295 PolarHBondContact O-N 3.08Å; E1292-A1296 PolarHBondContact O-N 3.25Å; E1292-K1503 IonicContact OE1-NZ 3.34Å; E1292-K1503 PolarHBondContact OE1-NZ 3.46Å
1293V78.6Confident82.6Confident58 Ų5819.3 Ų19.335%0.35210%0.104SC..Hα-helixtrans-65.9-34.7-178.9174.60000111.9V1169 Y1289 S1291 A1296 L1521V1169-V1293 HydrophobicContact CG2-CG2 4.08Å; Y1289-V1293 PolarHBondContact O-N 3Å; S1291-V1293 PolarHBondContact O-N 3.21Å; V1293-A1296 WeakPolarHBondContact O-CB 3.49Å; V1293-L1521 HydrophobicContact CB-CD2 3.89Å; V1293-L1521 HydrophobicContact CG1-CD2 3.76Å
1294I81Confident82.1Confident3 Ų320.5 Ų20.52%0.01511%0.111CC..Hα-helixtrans-66.4-43.9178.8-68.1167000110.7R1290 S1291 E1292 A1296 L1506 L1514 I1524 R1525R1290-I1294 WeakPolarHBondContact O-CG1 3.25Å; R1290-I1294 PolarHBondContact O-N 3.07Å; S1291-I1294 PolarHBondContact O-N 3.01Å; E1292-I1294 VanDerWaalsContact C-N 3.32Å; E1292-I1294 PolarHBondContact O-N 3.29Å; I1294-A1296 PolarHBondContact O-N 3.46Å; I1294-L1506 HydrophobicContact CB-CD2 4.12Å; I1294-L1506 HydrophobicContact CD1-CD2 4.24Å; I1294-L1506 HydrophobicContact CG2-CD2 3.91Å; I1294-L1514 HydrophobicContact CD1-CD2 3.67Å; I1294-I1524 HydrophobicContact CD1-CG2 3.91Å; I1294-R1525 HydrophobicContact CG2-CB 4.43Å; I1294-R1525 HydrophobicContact CG2-CG 4.45Å; I1294-R1525 PolarHBondContact O-NH1 3.09Å
1295L81.8Confident81.8Confident10 Ų1019.7 Ų19.75%0.05211%0.107CC..THydrogen-bonded Turntrans-86.94.8-176.2-71163.3000114.8S1291 E1292 N1297 R1298 E1502 K1503 L1506S1291-L1295 PolarHBondContact O-N 3.46Å; E1292-L1295 PolarHBondContact O-N 3.08Å; L1295-N1297 PolarHBondContact O-N 3.31Å; L1295-R1298 WeakPolarHBondContact O-CB 3.42Å; L1295-R1298 PolarHBondContact O-N 2.79Å; L1295-E1502 HydrophobicContact CD1-CB 4.37Å; L1295-E1502 HydrophobicContact CD2-CB 4.48Å; L1295-K1503 HydrophobicContact CD1-CB 4.27Å; L1295-K1503 HydrophobicContact CD1-CG 3.53Å; L1295-L1506 HydrophobicContact CD1-CD2 4.18Å; L1295-L1506 HydrophobicContact CG-CD2 4.38Å
1296A73.1Confident81.4Confident29 Ų2919.8 Ų19.824%0.2411%0.108CC..THydrogen-bonded Turntrans-65.414.7-168.400000118.6E1292 V1293 I1294 G1691E1292-A1296 PolarHBondContact O-N 3.25Å; V1293-A1296 WeakPolarHBondContact O-CB 3.49Å; I1294-A1296 PolarHBondContact O-N 3.46Å; A1296-G1691 VanDerWaalsContact C-CA 3.48Å; A1296-G1691 CarbonylContact O-C 3.54Å; A1296-G1691 WeakPolarHBondContact O-CA 3.11Å
1297N76.9Confident80.9Confident73 Ų7321.8 Ų21.839%0.3912%0.118SC..THydrogen-bonded Turntrans-117.7-14.4166.2-67.825.4000112.5L1295 A1300 R1525L1295-N1297 PolarHBondContact O-N 3.31Å; N1297-A1300 PolarHBondContact O-N 3.07Å; N1297-R1525 PolarHBondContact ND2-NH2 3.27Å
1298R82.6Confident80.4Confident20 Ų2021.5 Ų21.58%0.07512%0.115CC..Hα-helixtrans-76.8-36-160.817950.6173.9168.21.6113.3L1295 A1300 V1301 L1302 L1499 E1502 V1536L1295-R1298 WeakPolarHBondContact O-CB 3.42Å; L1295-R1298 PolarHBondContact O-N 2.79Å; R1298-A1300 VanDerWaalsContact C-N 3.29Å; R1298-A1300 PolarHBondContact O-N 2.96Å; R1298-V1301 PolarHBondContact O-N 3.16Å; R1298-L1302 HydrophobicContact CG-CD1 4.27Å; R1298-L1302 WeakPolarHBondContact O-CG 3.49Å; R1298-L1302 PolarHBondContact O-N 3.44Å; R1298-L1499 HydrophobicContact CB-CD2 3.96Å; R1298-L1499 HydrophobicContact CG-CD2 3.98Å; R1298-E1502 WeakPolarHBondContact CG-OE2 3.22Å; R1298-E1502 IonicContact CZ-OE1 2.66Å; R1298-E1502 IonicContact NE-OE1 3.09Å; R1298-E1502 PolarHBondContact NE-OE1 3.15Å; R1298-E1502 VanDerWaalsContact NE-OE1 3.12Å; R1298-E1502 IonicContact NE-OE2 3.09Å; R1298-E1502 PolarHBondContact NE-OE2 3.36Å; R1298-E1502 IonicContact NH2-OE1 3.55Å; R1298-E1502 PolarHBondContact NH2-OE1 2.83Å; R1298-V1536 PolarHBondContact NH1-O 3.41Å; R1298-V1536 PolarHBondContact NH2-O 3.34Å
1299G82.5Confident80.1Confident0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-69.2-24.1176.200000114.1K1303 L1690G1299-K1303 WeakPolarHBondContact O-CB 3.36Å; G1299-K1303 PolarHBondContact O-N 2.9Å; G1299-L1690 CarbonylContact C-O 3.48Å; G1299-L1690 WeakPolarHBondContact CA-O 3.48Å; G1299-L1690 PolarHBondContact N-O 3.06Å
1300A77.2Confident79.6Confident1 Ų123.2 Ų23.21%0.00812%0.122CC..Hα-helixtrans-67.3-43169.500000112N1297 R1298 K1303 N1304 L1690 L1692 A1696N1297-A1300 PolarHBondContact O-N 3.07Å; R1298-A1300 VanDerWaalsContact C-N 3.29Å; R1298-A1300 PolarHBondContact O-N 2.96Å; A1300-K1303 PolarHBondContact O-N 3.26Å; A1300-N1304 PolarHBondContact O-N 2.82Å; A1300-N1304 PolarHBondContact O-OD1 3.46Å; A1300-L1690 PolarHBondContact N-O 3.45Å; A1300-L1692 HydrophobicContact CB-CD2 3.84Å; A1300-A1696 HydrophobicContact CB-CB 4.33Å
1301V78.5Confident79.2Confident44 Ų4425.3 Ų25.327%0.26713%0.133SC..Hα-helixtrans-61.8-47.9174.6176.90000110.6R1298 K1303 N1304 Q1305 T1701R1298-V1301 PolarHBondContact O-N 3.16Å; V1301-K1303 VanDerWaalsContact C-N 3.34Å; V1301-K1303 PolarHBondContact O-N 2.99Å; V1301-N1304 PolarHBondContact O-N 3.43Å; V1301-Q1305 HydrophobicContact CG1-CG 4.46Å; V1301-Q1305 WeakPolarHBondContact O-CB 3.44Å; V1301-Q1305 WeakPolarHBondContact O-CG 3.42Å; V1301-Q1305 PolarHBondContact O-N 3.35Å; V1301-T1701 HydrophobicContact CG1-CG2 4.16Å
1302L84Confident78.8Confident2 Ų230.1 Ų30.11%0.0115%0.154CC..Hα-helixtrans-61.1-39.1178.3-68168.9000112.6R1298 L1306 V1495 V1498 V1536R1298-L1302 HydrophobicContact CG-CD1 4.27Å; R1298-L1302 WeakPolarHBondContact O-CG 3.49Å; R1298-L1302 PolarHBondContact O-N 3.44Å; L1302-L1306 PolarHBondContact O-N 2.79Å; L1302-L1306 VanDerWaalsContact O-N 3.16Å; L1302-V1495 HydrophobicContact CB-CG2 4.03Å; L1302-V1495 HydrophobicContact CD1-CG1 4.43Å; L1302-V1498 HydrophobicContact CD1-CB 3.94Å; L1302-V1498 HydrophobicContact CD1-CG1 3.6Å; L1302-V1498 HydrophobicContact CD2-CG1 4.21Å; L1302-V1536 HydrophobicContact CD2-CB 3.8Å; L1302-V1536 HydrophobicContact CD2-CG1 4.12Å; L1302-V1536 HydrophobicContact CD2-CG2 3.99Å
1303K79.8Confident78.5Confident70 Ų7031.6 Ų31.630%0.30416%0.161SC..Hα-helixtrans-68.8-41.6176.3-177.8162.9-178.1149.30112.1G1299 A1300 V1301 L1306 I1307 E1491G1299-K1303 WeakPolarHBondContact O-CB 3.36Å; G1299-K1303 PolarHBondContact O-N 2.9Å; A1300-K1303 PolarHBondContact O-N 3.26Å; V1301-K1303 VanDerWaalsContact C-N 3.34Å; V1301-K1303 PolarHBondContact O-N 2.99Å; K1303-L1306 PolarHBondContact O-N 3.01Å; K1303-I1307 HydrophobicContact CG-CD1 3.89Å; K1303-I1307 HydrophobicContact CG-CG1 4.46Å; K1303-I1307 WeakPolarHBondContact O-CG1 3.38Å; K1303-I1307 PolarHBondContact O-N 3.49Å; K1303-E1491 WeakPolarHBondContact CE-OE2 3.36Å; K1303-E1491 IonicContact NZ-OE2 2.83Å; K1303-E1491 PolarHBondContact NZ-OE2 3.49Å
1304N76Confident78.1Confident30 Ų3029.6 Ų29.616%0.1615%0.147CC..Hα-helixtrans-64.1-42.5176.4-72.44.8000111.6A1300 V1301 L1306 I1307 E1308 T1701A1300-N1304 PolarHBondContact O-N 2.82Å; A1300-N1304 PolarHBondContact O-OD1 3.46Å; V1301-N1304 PolarHBondContact O-N 3.43Å; N1304-L1306 VanDerWaalsContact C-N 3.28Å; N1304-L1306 PolarHBondContact O-N 3.48Å; N1304-I1307 PolarHBondContact O-N 3.43Å; N1304-E1308 WeakPolarHBondContact O-CB 3.41Å; N1304-E1308 PolarHBondContact O-N 3.32Å; N1304-T1701 HydrophobicContact CB-CG2 4.01Å
1305Q81.8Confident77.9Confident10 Ų1032 Ų325%0.04716%0.16CC..Hα-helixtrans-57.4-39.6174.2-77.7176.7-32.500112.4V1301 K1309 T1701 F1702V1301-Q1305 HydrophobicContact CG1-CG 4.46Å; V1301-Q1305 WeakPolarHBondContact O-CB 3.44Å; V1301-Q1305 WeakPolarHBondContact O-CG 3.42Å; V1301-Q1305 PolarHBondContact O-N 3.35Å; Q1305-K1309 PolarHBondContact O-N 2.82Å; Q1305-K1309 VanDerWaalsContact O-N 3.16Å; Q1305-T1701 HydrophobicContact CG-CG2 3.82Å; Q1305-T1701 PolarHBondContact NE2-O 3.37Å; Q1305-F1702 HydrophobicContact CB-CE1 4.23Å; Q1305-F1702 HydrophobicContact CB-CE2 4.02Å; Q1305-F1702 HydrophobicContact CB-CZ 3.58Å; Q1305-F1702 HydrophobicContact CG-CE1 3.96Å; Q1305-F1702 HydrophobicContact CG-CE2 4.06Å; Q1305-F1702 HydrophobicContact CG-CZ 3.71Å; Q1305-F1702 WeakPolarHBondContact O-CE2 3.42Å
1306L80.4Confident77.7Confident2 Ų237.7 Ų37.71%0.0119%0.187CC..Hα-helixtrans-70.3-44.5177.1-170.262.1000112.3L1302 K1303 N1304 E1308 K1309 E1310 E1491 V1542L1302-L1306 PolarHBondContact O-N 2.79Å; L1302-L1306 VanDerWaalsContact O-N 3.16Å; K1303-L1306 PolarHBondContact O-N 3.01Å; N1304-L1306 VanDerWaalsContact C-N 3.28Å; N1304-L1306 PolarHBondContact O-N 3.48Å; L1306-E1308 VanDerWaalsContact C-N 3.34Å; L1306-E1308 PolarHBondContact O-N 2.98Å; L1306-K1309 PolarHBondContact O-N 2.82Å; L1306-E1310 WeakPolarHBondContact O-CG 3.45Å; L1306-E1310 PolarHBondContact O-N 3.43Å; L1306-E1491 HydrophobicContact CD2-CB 3.92Å; L1306-E1491 HydrophobicContact CD2-CG 3.79Å; L1306-V1542 HydrophobicContact CD1-CG1 4.12Å
1307I75.2Confident77.5Confident44 Ų4440 Ų4023%0.22619%0.193CC..Hα-helixtrans-62.8-39.9176.4-67.4166.6000111.4K1303 N1304 E1310 M1311K1303-I1307 HydrophobicContact CG-CD1 3.89Å; K1303-I1307 HydrophobicContact CG-CG1 4.46Å; K1303-I1307 WeakPolarHBondContact O-CG1 3.38Å; K1303-I1307 PolarHBondContact O-N 3.49Å; N1304-I1307 PolarHBondContact O-N 3.43Å; I1307-E1310 PolarHBondContact O-N 3.15Å; I1307-M1311 WeakPolarHBondContact O-CB 3.37Å; I1307-M1311 PolarHBondContact O-N 3.34Å
1308E76.6Confident77.1Confident20 Ų2038.8 Ų38.89%0.09319%0.185CC..Hα-helixtrans-66.4-38178.5-165.5-169.6144.500111.8N1304 L1306 K1312 T1701 F1702 F1785N1304-E1308 WeakPolarHBondContact O-CB 3.41Å; N1304-E1308 PolarHBondContact O-N 3.32Å; L1306-E1308 VanDerWaalsContact C-N 3.34Å; L1306-E1308 PolarHBondContact O-N 2.98Å; E1308-K1312 WeakPolarHBondContact O-CG 3.4Å; E1308-K1312 PolarHBondContact O-N 2.95Å; E1308-K1312 WeakPolarHBondContact OE1-CE 3.31Å; E1308-K1312 IonicContact OE1-NZ 2.76Å; E1308-K1312 PolarHBondContact OE1-NZ 3.49Å; E1308-T1701 WeakPolarHBondContact OE2-CB 3.37Å; E1308-T1701 PolarHBondContact OE2-N 3.49Å; E1308-T1701 PolarHBondContact OE2-OG1 2.92Å; E1308-F1702 HydrophobicContact CB-CE2 4.28Å; E1308-F1702 WeakPolarHBondContact OE2-CD2 3.32Å; E1308-F1785 HydrophobicContact CG-CE1 4.36Å
1309K80.4Confident76.8Confident33 Ų3345 Ų4514%0.14321%0.212CC..Hα-helixtrans-61-54.6171.2177-176.7168.6-175.90110.8Q1305 L1306 M1311 K1312 E1313 E1546Q1305-K1309 PolarHBondContact O-N 2.82Å; Q1305-K1309 VanDerWaalsContact O-N 3.16Å; L1306-K1309 PolarHBondContact O-N 2.82Å; K1309-M1311 VanDerWaalsContact C-N 3.32Å; K1309-M1311 PolarHBondContact O-N 3.04Å; K1309-K1312 PolarHBondContact O-N 3.18Å; K1309-E1313 WeakPolarHBondContact CE-OE1 3.37Å; K1309-E1313 WeakPolarHBondContact CG-OE1 3.37Å; K1309-E1313 WeakPolarHBondContact O-CG 3.33Å; K1309-E1313 PolarHBondContact O-N 2.77Å; K1309-E1313 VanDerWaalsContact O-N 3.11Å; K1309-E1546 IonicContact NZ-OE2 3.58Å
1310E75.2Confident76.5Confident18 Ų1847.7 Ų47.78%0.08424%0.235CC..Hα-helixtrans-60-38.6-178.1-70.6-177.8-176.600112.8L1306 I1307 Q1314 R1490L1306-E1310 WeakPolarHBondContact O-CG 3.45Å; L1306-E1310 PolarHBondContact O-N 3.43Å; I1307-E1310 PolarHBondContact O-N 3.15Å; E1310-Q1314 WeakPolarHBondContact O-CB 3.2Å; E1310-Q1314 WeakPolarHBondContact O-CG 3.47Å; E1310-Q1314 PolarHBondContact O-N 2.91Å; E1310-R1490 IonicContact OE1-CZ 3.81Å; E1310-R1490 IonicContact OE1-NH2 2.81Å; E1310-R1490 PolarHBondContact OE1-NH2 3.02Å
1311M74.2Confident76Confident46 Ų4649.9 Ų49.923%0.22724%0.244CC..Hα-helixtrans-66.3-39.2177.4179.2-177.4169.400112.5I1307 K1309 N1315 F1785I1307-M1311 WeakPolarHBondContact O-CB 3.37Å; I1307-M1311 PolarHBondContact O-N 3.34Å; K1309-M1311 VanDerWaalsContact C-N 3.32Å; K1309-M1311 PolarHBondContact O-N 3.04Å; M1311-N1315 WeakPolarHBondContact CG-ND2 3.24Å; M1311-N1315 WeakPolarHBondContact O-CB 3.37Å; M1311-N1315 PolarHBondContact O-N 3.42Å; M1311-N1315 PolarHBondContact O-ND2 3.45Å; M1311-F1785 HydrophobicContact SD-CB 4Å; M1311-F1785 HydrophobicContact SD-CD1 3.69Å; M1311-F1785 HydrophobicContact SD-CG 4.31Å
1312K78Confident75.7Confident101 Ų10152.6 Ų52.644%0.43925%0.252SS..Hα-helixtrans-64.1-49.8176.8-73.4172.8-174.4170.20110.1E1308 K1309 Q1314 N1315 E1316E1308-K1312 WeakPolarHBondContact O-CG 3.4Å; E1308-K1312 PolarHBondContact O-N 2.95Å; E1308-K1312 WeakPolarHBondContact OE1-CE 3.31Å; E1308-K1312 IonicContact OE1-NZ 2.76Å; E1308-K1312 PolarHBondContact OE1-NZ 3.49Å; K1309-K1312 PolarHBondContact O-N 3.18Å; K1312-Q1314 PolarHBondContact O-N 2.88Å; K1312-N1315 PolarHBondContact O-N 2.93Å; K1312-E1316 WeakPolarHBondContact O-CB 3.36Å; K1312-E1316 WeakPolarHBondContact O-CG 3.28Å; K1312-E1316 PolarHBondContact O-N 3Å
1313E74.8Confident75.4Confident49 Ų4957.4 Ų57.423%0.22928%0.278CS..Hα-helixtrans-57.6-43.3176.9-68.6170.4179.500112.6K1309 Q1317 V1386K1309-E1313 WeakPolarHBondContact CE-OE1 3.37Å; K1309-E1313 WeakPolarHBondContact CG-OE1 3.37Å; K1309-E1313 WeakPolarHBondContact O-CG 3.33Å; K1309-E1313 PolarHBondContact O-N 2.77Å; K1309-E1313 VanDerWaalsContact O-N 3.11Å; E1313-Q1317 WeakPolarHBondContact O-CB 3.33Å; E1313-Q1317 VanDerWaalsContact O-CG 3.29Å; E1313-Q1317 WeakPolarHBondContact O-CG 3.45Å; E1313-Q1317 PolarHBondContact O-N 3.09Å; E1313-V1386 VanDerWaalsContact OE2-CG1 3.26Å; E1313-V1386 WeakPolarHBondContact OE2-CG1 3.41Å
1314Q71.2Confident75.2Confident16 Ų1656.9 Ų56.98%0.07528%0.279CS..Hα-helixtrans-65.2-45.2177.1-77.6-174.3-0.600112.9E1310 K1312 Q1317 Q1318 P1384 Y1787E1310-Q1314 WeakPolarHBondContact O-CB 3.2Å; E1310-Q1314 WeakPolarHBondContact O-CG 3.47Å; E1310-Q1314 PolarHBondContact O-N 2.91Å; K1312-Q1314 PolarHBondContact O-N 2.88Å; Q1314-Q1317 PolarHBondContact O-N 2.81Å; Q1314-Q1318 PolarHBondContact O-N 2.91Å; Q1314-P1384 HydrophobicContact CG-CG 4.28Å; Q1314-Y1787 VanDerWaalsContact NE2-CZ 3.28Å
1315N75.7Confident74.9Confident54 Ų5457.3 Ų57.329%0.28928%0.28SS..Hα-helixtrans-67.2-39.1-179.7-77-41.6000112.2M1311 K1312 K1319M1311-N1315 WeakPolarHBondContact CG-ND2 3.24Å; M1311-N1315 WeakPolarHBondContact O-CB 3.37Å; M1311-N1315 PolarHBondContact O-N 3.42Å; M1311-N1315 PolarHBondContact O-ND2 3.45Å; K1312-N1315 PolarHBondContact O-N 2.93Å; N1315-K1319 WeakPolarHBondContact O-CB 3.33Å; N1315-K1319 WeakPolarHBondContact O-CG 3.2Å; N1315-K1319 PolarHBondContact O-N 3.46Å
1316E77.4Confident74.7Confident130 Ų13063.9 Ų63.961%0.60731%0.305SS*.Hα-helixtrans-62.4-44.9173.6-74.2170.2-165.200111K1312 K1319 A1320K1312-E1316 WeakPolarHBondContact O-CB 3.36Å; K1312-E1316 WeakPolarHBondContact O-CG 3.28Å; K1312-E1316 PolarHBondContact O-N 3Å; E1316-K1319 PolarHBondContact O-N 3.21Å; E1316-A1320 VanDerWaalsContact O-CB 3.29Å; E1316-A1320 WeakPolarHBondContact O-CB 3.44Å; E1316-A1320 PolarHBondContact O-N 3.02Å
1317Q69.5Low74.7Confident78 Ų7872.7 Ų72.736%0.36434%0.338SS..Hα-helixtrans-69.3-35.3177.9-72.1-174.946.200113.6E1313 Q1314 A1320 K1321 P1384E1313-Q1317 WeakPolarHBondContact O-CB 3.33Å; E1313-Q1317 VanDerWaalsContact O-CG 3.29Å; E1313-Q1317 WeakPolarHBondContact O-CG 3.45Å; E1313-Q1317 PolarHBondContact O-N 3.09Å; Q1314-Q1317 PolarHBondContact O-N 2.81Å; Q1317-A1320 PolarHBondContact O-N 3.39Å; Q1317-K1321 WeakPolarHBondContact O-CB 3.28Å; Q1317-K1321 VanDerWaalsContact O-CG 3.31Å; Q1317-K1321 WeakPolarHBondContact O-CG 3.24Å; Q1317-K1321 PolarHBondContact O-N 2.87Å; Q1317-P1384 HydrophobicContact CB-CG 4.43Å
1318Q67.4Low74.5Confident46 Ų4673.5 Ų73.522%0.21534%0.338CS..Hα-helixtrans-65.9-45.4173.1-180172.5-18.800111.1Q1314 A1320 K1321 F1322 E1917Q1314-Q1318 PolarHBondContact O-N 2.91Å; Q1318-A1320 VanDerWaalsContact C-N 3.34Å; Q1318-A1320 PolarHBondContact O-N 2.76Å; Q1318-K1321 PolarHBondContact O-N 3.47Å; Q1318-F1322 WeakPolarHBondContact O-CB 3.45Å; Q1318-F1322 PolarHBondContact O-N 3.27Å; Q1318-E1917 PolarHBondContact NE2-OE2 2.93Å
1319K76.9Confident74.5Confident151 Ų15173.2 Ų73.266%0.65734%0.338SS*.Hα-helixtrans-61.1-42.2174.6-74.1177.7178.5-177.40111.8N1315 E1316 F1322 N1323N1315-K1319 WeakPolarHBondContact O-CB 3.33Å; N1315-K1319 WeakPolarHBondContact O-CG 3.2Å; N1315-K1319 PolarHBondContact O-N 3.46Å; E1316-K1319 PolarHBondContact O-N 3.21Å; K1319-F1322 PolarHBondContact O-N 2.9Å; K1319-N1323 WeakPolarHBondContact O-CB 3.46Å; K1319-N1323 PolarHBondContact O-N 3.21Å; K1319-N1323 PolarHBondContact O-ND2 2.87Å
1320A77.3Confident74.5Confident57 Ų5775.6 Ų75.647%0.47135%0.349SS..Hα-helixtrans-61.8-46.9175.300000111.8E1316 Q1317 Q1318 N1323 D1324E1316-A1320 VanDerWaalsContact O-CB 3.29Å; E1316-A1320 WeakPolarHBondContact O-CB 3.44Å; E1316-A1320 PolarHBondContact O-N 3.02Å; Q1317-A1320 PolarHBondContact O-N 3.39Å; Q1318-A1320 VanDerWaalsContact C-N 3.34Å; Q1318-A1320 PolarHBondContact O-N 2.76Å; A1320-N1323 PolarHBondContact O-N 2.78Å; A1320-D1324 WeakPolarHBondContact O-CB 3.35Å; A1320-D1324 PolarHBondContact O-N 2.87Å
1321K66.3Low74.8Confident47 Ų4776 Ų7620%0.20436%0.356CS..Hα-helixtrans-64.4-38.5176.6-74.5178.4-178.1-177.90112.5Q1317 Q1318 D1324 I1325 V1379 S1381Q1317-K1321 WeakPolarHBondContact O-CB 3.28Å; Q1317-K1321 VanDerWaalsContact O-CG 3.31Å; Q1317-K1321 WeakPolarHBondContact O-CG 3.24Å; Q1317-K1321 PolarHBondContact O-N 2.87Å; Q1318-K1321 PolarHBondContact O-N 3.47Å; K1321-D1324 PolarHBondContact O-N 2.83Å; K1321-I1325 WeakPolarHBondContact O-CB 3.3Å; K1321-I1325 VanDerWaalsContact O-CG1 3.29Å; K1321-I1325 WeakPolarHBondContact O-CG1 3.13Å; K1321-I1325 PolarHBondContact O-N 3.32Å; K1321-V1379 HydrophobicContact CD-CG1 4.25Å; K1321-S1381 PolarHBondContact NZ-O 3.29Å
1322F71.2Confident74.7Confident101 Ų10174.6 Ų74.644%0.44335%0.349SS..Hα-helixtrans-65.3-46.5175.5-174.5-92.5000111.6Q1318 K1319 D1324 I1325 R1326 L1918Q1318-F1322 WeakPolarHBondContact O-CB 3.45Å; Q1318-F1322 PolarHBondContact O-N 3.27Å; K1319-F1322 PolarHBondContact O-N 2.9Å; F1322-D1324 VanDerWaalsContact C-N 3.34Å; F1322-D1324 PolarHBondContact O-N 2.82Å; F1322-I1325 PolarHBondContact O-N 2.77Å; F1322-R1326 WeakPolarHBondContact O-CB 3.5Å; F1322-R1326 PolarHBondContact O-N 2.87Å; F1322-L1918 HydrophobicContact CD2-CD1 4.3Å
1323N78.6Confident74.9Confident103 Ų10376.3 Ų76.355%0.55135%0.353SS*.Hα-helixtrans-63.4-39.1175.9-71.7-14.1000112K1319 A1320 R1327K1319-N1323 WeakPolarHBondContact O-CB 3.46Å; K1319-N1323 PolarHBondContact O-N 3.21Å; K1319-N1323 PolarHBondContact O-ND2 2.87Å; A1320-N1323 PolarHBondContact O-N 2.78Å; N1323-R1327 WeakPolarHBondContact O-CB 3.36Å; N1323-R1327 PolarHBondContact O-N 2.85Å
1324D74.2Confident75.2Confident59 Ų5979.1 Ų79.132%0.31637%0.366SS..Hα-helixtrans-65.1-45.1174.7-178.528.4000111.5A1320 K1321 F1322 R1326 R1327 R1328A1320-D1324 WeakPolarHBondContact O-CB 3.35Å; A1320-D1324 PolarHBondContact O-N 2.87Å; K1321-D1324 PolarHBondContact O-N 2.83Å; F1322-D1324 VanDerWaalsContact C-N 3.34Å; F1322-D1324 PolarHBondContact O-N 2.82Å; D1324-R1326 PolarHBondContact O-N 3.02Å; D1324-R1327 CarbonylContact O-C 3.56Å; D1324-R1327 PolarHBondContact O-N 2.85Å; D1324-R1328 WeakPolarHBondContact O-CB 3.37Å; D1324-R1328 WeakPolarHBondContact O-CG 3.49Å; D1324-R1328 PolarHBondContact O-N 3Å; D1324-R1328 IonicContact OD1-CZ 3.7Å; D1324-R1328 IonicContact OD1-NE 3.88Å; D1324-R1328 PolarHBondContact OD1-NE 2.81Å; D1324-R1328 IonicContact OD1-NH2 2.69Å; D1324-R1328 IonicContact OD2-CZ 3.4Å; D1324-R1328 IonicContact OD2-NE 3.59Å; D1324-R1328 PolarHBondContact OD2-NE 2.87Å; D1324-R1328 VanDerWaalsContact OD2-NE 3.09Å; D1324-R1328 IonicContact OD2-NH2 2.73Å; D1324-R1328 PolarHBondContact OD2-NH2 3.46Å
1325I70.2Confident75.4Confident38 Ų3882.5 Ų82.520%0.19538%0.378CS..Hα-helixtrans-66-39.9177-74.2170.1000112.1K1321 F1322 R1328 T1329 L1918 L2363K1321-I1325 WeakPolarHBondContact O-CB 3.3Å; K1321-I1325 VanDerWaalsContact O-CG1 3.29Å; K1321-I1325 WeakPolarHBondContact O-CG1 3.13Å; K1321-I1325 PolarHBondContact O-N 3.32Å; F1322-I1325 PolarHBondContact O-N 2.77Å; I1325-R1328 PolarHBondContact O-N 2.78Å; I1325-T1329 PolarHBondContact O-N 3.42Å; I1325-T1329 PolarHBondContact O-OG1 2.81Å; I1325-L1918 HydrophobicContact CD1-CD2 3.27Å; I1325-L1918 HydrophobicContact CG2-CD2 4.33Å; I1325-L2363 HydrophobicContact CB-CD1 4.45Å; I1325-L2363 HydrophobicContact CG1-CD1 4.09Å; I1325-L2363 HydrophobicContact CG2-CD1 4.04Å; I1325-L2363 HydrophobicContact CG2-CD2 4.45Å; I1325-L2363 HydrophobicContact CG2-CG 3.99Å
1326R77.9Confident75.2Confident149 Ų14980.8 Ų80.856%0.56237%0.368SS*.Hα-helixtrans-59.4-52.8171178174.9175.5168.81.3111F1322 D1324 R1328 T1329 E1330F1322-R1326 WeakPolarHBondContact O-CB 3.5Å; F1322-R1326 PolarHBondContact O-N 2.87Å; D1324-R1326 PolarHBondContact O-N 3.02Å; R1326-R1328 VanDerWaalsContact C-N 3.28Å; R1326-R1328 PolarHBondContact O-N 3.45Å; R1326-T1329 PolarHBondContact O-N 3.13Å; R1326-T1329 VanDerWaalsContact O-N 3.14Å; R1326-E1330 VanDerWaalsContact CG-OE1 3.29Å; R1326-E1330 WeakPolarHBondContact CG-OE1 3.4Å; R1326-E1330 IonicContact CZ-OE1 3.69Å; R1326-E1330 IonicContact NE-OE1 3.18Å; R1326-E1330 PolarHBondContact NE-OE1 3.03Å; R1326-E1330 IonicContact NH2-OE1 3.61Å; R1326-E1330 WeakPolarHBondContact O-CB 3.37Å; R1326-E1330 WeakPolarHBondContact O-CG 3.13Å; R1326-E1330 PolarHBondContact O-N 2.83Å
1327R80.4Confident75.2Confident187 Ų18779 Ų7971%0.70636%0.359SS*.Hα-helixtrans-59.1-36.4177.5-174.9-179.1-178.2-1700.1112.4N1323 D1324 A1331N1323-R1327 WeakPolarHBondContact O-CB 3.36Å; N1323-R1327 PolarHBondContact O-N 2.85Å; D1324-R1327 CarbonylContact O-C 3.56Å; D1324-R1327 PolarHBondContact O-N 2.85Å; R1327-A1331 WeakPolarHBondContact O-CB 3.45Å; R1327-A1331 PolarHBondContact O-N 2.86Å
1328R70.6Confident75.6Confident61 Ų6180.1 Ų80.123%0.2336%0.363CS..Hα-helixtrans-68.1-45.9174.3-73.9168.4-169.8-153.72.9111.4D1324 I1325 R1326 E1330 A1331 I1332 L2363D1324-R1328 WeakPolarHBondContact O-CB 3.37Å; D1324-R1328 WeakPolarHBondContact O-CG 3.49Å; D1324-R1328 PolarHBondContact O-N 3Å; D1324-R1328 IonicContact OD1-CZ 3.7Å; D1324-R1328 IonicContact OD1-NE 3.88Å; D1324-R1328 PolarHBondContact OD1-NE 2.81Å; D1324-R1328 IonicContact OD1-NH2 2.69Å; D1324-R1328 IonicContact OD2-CZ 3.4Å; D1324-R1328 IonicContact OD2-NE 3.59Å; D1324-R1328 PolarHBondContact OD2-NE 2.87Å; D1324-R1328 VanDerWaalsContact OD2-NE 3.09Å; D1324-R1328 IonicContact OD2-NH2 2.73Å; D1324-R1328 PolarHBondContact OD2-NH2 3.46Å; I1325-R1328 PolarHBondContact O-N 2.78Å; R1326-R1328 VanDerWaalsContact C-N 3.28Å; R1326-R1328 PolarHBondContact O-N 3.45Å; R1328-E1330 VanDerWaalsContact C-N 3.34Å; R1328-E1330 PolarHBondContact O-N 2.98Å; R1328-A1331 CarbonylContact O-C 3.59Å; R1328-A1331 PolarHBondContact O-N 3.1Å; R1328-I1332 WeakPolarHBondContact O-CB 3.35Å; R1328-I1332 WeakPolarHBondContact O-CD1 3.48Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.49Å; R1328-I1332 PolarHBondContact O-N 3.05Å; R1328-L2363 HydrophobicContact CB-CD1 4.4Å
1329T76.6Confident75.8Confident14 Ų1479.1 Ų79.19%0.08636%0.358CS..Hα-helixtrans-59-47.6176.4-47.80000110.4I1325 R1326 A1331 I1332 R1333 L2363 A2367I1325-T1329 PolarHBondContact O-N 3.42Å; I1325-T1329 PolarHBondContact O-OG1 2.81Å; R1326-T1329 PolarHBondContact O-N 3.13Å; R1326-T1329 VanDerWaalsContact O-N 3.14Å; T1329-A1331 PolarHBondContact O-N 3.13Å; T1329-I1332 PolarHBondContact O-N 3.38Å; T1329-R1333 WeakPolarHBondContact O-CB 3.39Å; T1329-R1333 PolarHBondContact O-N 3.12Å; T1329-L2363 VanDerWaalsContact OG1-CD2 3.22Å; T1329-L2363 WeakPolarHBondContact OG1-CD2 3.34Å; T1329-A2367 HydrophobicContact CG2-CB 3.84Å
1330E81.9Confident75.4Confident83 Ų8373.7 Ų73.739%0.38834%0.336SS..Hα-helixtrans-59.6-45.5174.9-69.7165.8178.900111.1R1326 R1328 I1332 R1333 E1334R1326-E1330 VanDerWaalsContact CG-OE1 3.29Å; R1326-E1330 WeakPolarHBondContact CG-OE1 3.4Å; R1326-E1330 IonicContact CZ-OE1 3.69Å; R1326-E1330 IonicContact NE-OE1 3.18Å; R1326-E1330 PolarHBondContact NE-OE1 3.03Å; R1326-E1330 IonicContact NH2-OE1 3.61Å; R1326-E1330 WeakPolarHBondContact O-CB 3.37Å; R1326-E1330 WeakPolarHBondContact O-CG 3.13Å; R1326-E1330 PolarHBondContact O-N 2.83Å; R1328-E1330 VanDerWaalsContact C-N 3.34Å; R1328-E1330 PolarHBondContact O-N 2.98Å; E1330-I1332 PolarHBondContact O-N 2.95Å; E1330-R1333 PolarHBondContact O-N 3.28Å; E1330-E1334 PolarHBondContact O-N 2.82Å
1331A80.4Confident75.3Confident27 Ų2776.5 Ų76.522%0.22334%0.339CS..Hα-helixtrans-71.8-24.5178.100000115R1327 R1328 T1329 R1335R1327-A1331 WeakPolarHBondContact O-CB 3.45Å; R1327-A1331 PolarHBondContact O-N 2.86Å; R1328-A1331 CarbonylContact O-C 3.59Å; R1328-A1331 PolarHBondContact O-N 3.1Å; T1329-A1331 PolarHBondContact O-N 3.13Å; A1331-R1335 VanDerWaalsContact O-CB 3.31Å; A1331-R1335 WeakPolarHBondContact O-CB 3.49Å; A1331-R1335 WeakPolarHBondContact O-CG 3.35Å; A1331-R1335 PolarHBondContact O-N 3.48Å; A1331-R1335 VanDerWaalsContact O-N 3.12Å; A1331-R1335 PolarHBondContact O-NE 2.71Å; A1331-R1335 VanDerWaalsContact O-NE 3.13Å
1332I73.3Confident75.5Confident15 Ų1583.9 Ų83.98%0.07737%0.366CS..Hα-helixtrans-75.2-45.9171.1-66.6158.7000108.6R1328 T1329 E1330 E1334 R1335 Y1336 D2360 L2363 L2372 L2376R1328-I1332 WeakPolarHBondContact O-CB 3.35Å; R1328-I1332 WeakPolarHBondContact O-CD1 3.48Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.49Å; R1328-I1332 PolarHBondContact O-N 3.05Å; T1329-I1332 PolarHBondContact O-N 3.38Å; E1330-I1332 PolarHBondContact O-N 2.95Å; I1332-E1334 PolarHBondContact O-N 3.2Å; I1332-R1335 PolarHBondContact O-N 3.31Å; I1332-Y1336 WeakPolarHBondContact O-CB 3.49Å; I1332-Y1336 PolarHBondContact O-N 3.34Å; I1332-D2360 HydrophobicContact CD1-CB 4.05Å; I1332-L2363 HydrophobicContact CD1-CD2 4.15Å; I1332-L2372 HydrophobicContact CG2-CD1 4.32Å; I1332-L2372 HydrophobicContact CG2-CD2 3.99Å; I1332-L2372 HydrophobicContact CG2-CG 4.46Å; I1332-L2376 HydrophobicContact CG2-CD1 4.18Å; I1332-L2376 HydrophobicContact CG2-CD2 4.48Å
1333R80.9Confident75.3Confident137 Ų13779.1 Ų79.152%0.51735%0.346SS..Hα-helixtrans-58-47175.2-173.1-174.7-76.7174-8.1111.3T1329 E1330 Y1336 Q1337 D2369 L2372T1329-R1333 WeakPolarHBondContact O-CB 3.39Å; T1329-R1333 PolarHBondContact O-N 3.12Å; E1330-R1333 PolarHBondContact O-N 3.28Å; R1333-Y1336 PolarHBondContact O-N 3.07Å; R1333-Q1337 WeakPolarHBondContact O-CB 3.17Å; R1333-Q1337 PolarHBondContact O-N 3.49Å; R1333-D2369 IonicContact CZ-OD2 2.85Å; R1333-D2369 VanDerWaalsContact CZ-OD2 3.27Å; R1333-D2369 IonicContact NE-OD2 2.69Å; R1333-D2369 PolarHBondContact NE-OD2 2.95Å; R1333-D2369 VanDerWaalsContact NH2-CG 3.33Å; R1333-D2369 IonicContact NH2-OD1 3.27Å; R1333-D2369 IonicContact NH2-OD2 2.67Å; R1333-D2369 PolarHBondContact NH2-OD2 2.98Å; R1333-L2372 HydrophobicContact CB-CD2 4.21Å
1334E82.3Confident74.6Confident109 Ų10977.2 Ų77.251%0.50934%0.344SS..Hα-helixtrans-60.2-45.9173.2-83-167-146.800113.1E1330 I1332 Y1336 Q1337 K1338E1330-E1334 PolarHBondContact O-N 2.82Å; I1332-E1334 PolarHBondContact O-N 3.2Å; E1334-Y1336 VanDerWaalsContact C-N 3.31Å; E1334-Y1336 PolarHBondContact O-N 3.13Å; E1334-Q1337 PolarHBondContact O-N 3.49Å; E1334-K1338 WeakPolarHBondContact O-CB 3.18Å; E1334-K1338 WeakPolarHBondContact O-CD 3.49Å; E1334-K1338 VanDerWaalsContact O-CG 3.25Å; E1334-K1338 WeakPolarHBondContact O-CG 3.4Å; E1334-K1338 PolarHBondContact O-N 3.42Å; E1334-K1338 IonicContact OE2-NZ 3.59Å; E1334-K1338 PolarHBondContact OE2-NZ 3.19Å
1335R74.1Confident74.2Confident87 Ų8779.2 Ų79.233%0.32837%0.369SS..Hα-helixtrans-62-41.1178.4-90.6-178.5-88.7-150-12.4111.5A1331 I1332 K1338 Q1339 D1373A1331-R1335 VanDerWaalsContact O-CB 3.31Å; A1331-R1335 WeakPolarHBondContact O-CB 3.49Å; A1331-R1335 WeakPolarHBondContact O-CG 3.35Å; A1331-R1335 PolarHBondContact O-N 3.48Å; A1331-R1335 VanDerWaalsContact O-N 3.12Å; A1331-R1335 PolarHBondContact O-NE 2.71Å; A1331-R1335 VanDerWaalsContact O-NE 3.13Å; I1332-R1335 PolarHBondContact O-N 3.31Å; R1335-K1338 PolarHBondContact O-N 3.18Å; R1335-Q1339 VanDerWaalsContact O-CG 3.3Å; R1335-Q1339 WeakPolarHBondContact O-CG 3.49Å; R1335-Q1339 PolarHBondContact O-N 3.49Å; R1335-D1373 WeakPolarHBondContact CD-OD1 3.45Å; R1335-D1373 IonicContact CZ-OD1 2.68Å; R1335-D1373 IonicContact NE-OD1 3.01Å; R1335-D1373 IonicContact NH1-OD1 3.82Å; R1335-D1373 PolarHBondContact NH1-OD1 3.47Å
1336Y71.8Confident73.8Confident18 Ų1882.3 Ų82.37%0.07138%0.382CS..Hα-helixtrans-67.9-47.1177.8-163-103.8000110.9I1332 R1333 E1334 K1338 Q1339 I1340 M1365 L2372 D2375I1332-Y1336 WeakPolarHBondContact O-CB 3.49Å; I1332-Y1336 PolarHBondContact O-N 3.34Å; R1333-Y1336 PolarHBondContact O-N 3.07Å; E1334-Y1336 VanDerWaalsContact C-N 3.31Å; E1334-Y1336 PolarHBondContact O-N 3.13Å; Y1336-K1338 VanDerWaalsContact C-N 3.3Å; Y1336-K1338 PolarHBondContact O-N 2.88Å; Y1336-Q1339 CarbonylContact O-C 3.52Å; Y1336-Q1339 WeakPolarHBondContact O-CA 3.31Å; Y1336-Q1339 WeakPolarHBondContact O-CB 3.43Å; Y1336-Q1339 PolarHBondContact O-N 2.68Å; Y1336-I1340 HydrophobicContact CD1-CD1 3.7Å; Y1336-I1340 HydrophobicContact CD1-CG1 3.97Å; Y1336-I1340 HydrophobicContact CE1-CD1 3.66Å; Y1336-I1340 HydrophobicContact CE1-CG1 3.84Å; Y1336-I1340 WeakPolarHBondContact O-CG1 3.33Å; Y1336-I1340 PolarHBondContact O-N 2.94Å; Y1336-M1365 HydrophobicContact CE2-CE 3.67Å; Y1336-M1365 WeakPolarHBondContact OH-CE 3.12Å; Y1336-L2372 HydrophobicContact CD1-CD1 4.1Å; Y1336-L2372 HydrophobicContact CG-CD1 3.93Å; Y1336-D2375 HydrophobicContact CD1-CB 4.39Å; Y1336-D2375 HydrophobicContact CE1-CB 3.56Å; Y1336-D2375 WeakPolarHBondContact CE1-OD2 3.44Å; Y1336-D2375 HydrophobicContact CE2-CB 4.13Å; Y1336-D2375 VanDerWaalsContact CZ-CB 3.42Å; Y1336-D2375 VanDerWaalsContact OH-CB 3.3Å; Y1336-D2375 WeakPolarHBondContact OH-CB 3.29Å; Y1336-D2375 PolarHBondContact OH-OD1 3.11Å
1337Q78.5Confident72.9Confident93 Ų9378.7 Ų78.744%0.43537%0.369SS..Hα-helixtrans-56.9-41.6174.6-171.664.222.200112.3R1333 E1334 Q1339 I1340 E1341R1333-Q1337 WeakPolarHBondContact O-CB 3.17Å; R1333-Q1337 PolarHBondContact O-N 3.49Å; E1334-Q1337 PolarHBondContact O-N 3.49Å; Q1337-Q1339 VanDerWaalsContact C-N 3.31Å; Q1337-Q1339 PolarHBondContact O-N 2.96Å; Q1337-I1340 WeakPolarHBondContact O-CB 3.38Å; Q1337-I1340 PolarHBondContact O-N 3.44Å; Q1337-E1341 WeakPolarHBondContact CG-OE1 3.45Å; Q1337-E1341 PolarHBondContact NE2-OE1 3.22Å; Q1337-E1341 WeakPolarHBondContact O-CG 3.29Å; Q1337-E1341 PolarHBondContact O-N 2.76Å
1338K77.3Confident72Confident101 Ų10178 Ų7844%0.43938%0.379SS..Hα-helixtrans-66.7-28.8173.7-71161.8-177.2164.20112.9E1334 R1335 Y1336 R1342E1334-K1338 WeakPolarHBondContact O-CB 3.18Å; E1334-K1338 WeakPolarHBondContact O-CD 3.49Å; E1334-K1338 VanDerWaalsContact O-CG 3.25Å; E1334-K1338 WeakPolarHBondContact O-CG 3.4Å; E1334-K1338 PolarHBondContact O-N 3.42Å; E1334-K1338 IonicContact OE2-NZ 3.59Å; E1334-K1338 PolarHBondContact OE2-NZ 3.19Å; R1335-K1338 PolarHBondContact O-N 3.18Å; Y1336-K1338 VanDerWaalsContact C-N 3.3Å; Y1336-K1338 PolarHBondContact O-N 2.88Å; K1338-R1342 WeakPolarHBondContact O-CB 3.32Å; K1338-R1342 WeakPolarHBondContact O-CD 3.2Å; K1338-R1342 VanDerWaalsContact O-CG 3.23Å; K1338-R1342 WeakPolarHBondContact O-CG 3.13Å; K1338-R1342 PolarHBondContact O-N 3.2Å
1339Q71.4Confident71.9Confident24 Ų2481 Ų8111%0.11239%0.394CS..Hα-helixtrans-74.4-39.1171.9-73.5165.136.800111.5R1335 Y1336 Q1337 G1343 Y1368R1335-Q1339 VanDerWaalsContact O-CG 3.3Å; R1335-Q1339 WeakPolarHBondContact O-CG 3.49Å; R1335-Q1339 PolarHBondContact O-N 3.49Å; Y1336-Q1339 CarbonylContact O-C 3.52Å; Y1336-Q1339 WeakPolarHBondContact O-CA 3.31Å; Y1336-Q1339 WeakPolarHBondContact O-CB 3.43Å; Y1336-Q1339 PolarHBondContact O-N 2.68Å; Q1337-Q1339 VanDerWaalsContact C-N 3.31Å; Q1337-Q1339 PolarHBondContact O-N 2.96Å; Q1339-G1343 PolarHBondContact O-N 3.15Å; Q1339-Y1368 HydrophobicContact CG-CD1 4.4Å; Q1339-Y1368 HydrophobicContact CG-CE1 4.38Å
1340I68.8Low71.6Confident37 Ų3787.6 Ų87.619%0.1942%0.424CS..Hα-helixtrans-56.3-53.7171-68.1-179.7000109.9Y1336 Q1337 G1343 A1344Y1336-I1340 HydrophobicContact CD1-CD1 3.7Å; Y1336-I1340 HydrophobicContact CD1-CG1 3.97Å; Y1336-I1340 HydrophobicContact CE1-CD1 3.66Å; Y1336-I1340 HydrophobicContact CE1-CG1 3.84Å; Y1336-I1340 WeakPolarHBondContact O-CG1 3.33Å; Y1336-I1340 PolarHBondContact O-N 2.94Å; Q1337-I1340 WeakPolarHBondContact O-CB 3.38Å; Q1337-I1340 PolarHBondContact O-N 3.44Å; I1340-G1343 CarbonylContact O-C 3.59Å; I1340-G1343 PolarHBondContact O-N 2.81Å; I1340-A1344 PolarHBondContact O-N 2.92Å
1341E75.4Confident71.1Confident116 Ų11685.6 Ų85.654%0.54242%0.418SS..Hα-helixtrans-63.2-42.7-177.2-73.2164.9-170.500112.6Q1337 G1343 A1344Q1337-E1341 WeakPolarHBondContact CG-OE1 3.45Å; Q1337-E1341 PolarHBondContact NE2-OE1 3.22Å; Q1337-E1341 WeakPolarHBondContact O-CG 3.29Å; Q1337-E1341 PolarHBondContact O-N 2.76Å; E1341-G1343 VanDerWaalsContact C-N 3.35Å; E1341-A1344 WeakPolarHBondContact O-CB 3.29Å; E1341-A1344 PolarHBondContact O-N 3.39Å
1342R69.1Low71.1Confident202 Ų20290.5 Ų90.576%0.76245%0.445SS*.Hα-helixtrans-66.8-35.3174.8-73.4173.8-178.6-171.60.5112.8K1338 A1344K1338-R1342 WeakPolarHBondContact O-CB 3.32Å; K1338-R1342 WeakPolarHBondContact O-CD 3.2Å; K1338-R1342 VanDerWaalsContact O-CG 3.23Å; K1338-R1342 WeakPolarHBondContact O-CG 3.13Å; K1338-R1342 PolarHBondContact O-N 3.2Å; R1342-A1344 VanDerWaalsContact C-N 3.31Å
1343G67.3Low71.5Confident2 Ų293 Ų932%0.02146%0.461CS..Hα-helixtrans-76.3-14.117700000114.2Q1339 I1340 E1341 A1345 E1346 R1347Q1339-G1343 PolarHBondContact O-N 3.15Å; I1340-G1343 CarbonylContact O-C 3.59Å; I1340-G1343 PolarHBondContact O-N 2.81Å; E1341-G1343 VanDerWaalsContact C-N 3.35Å; G1343-A1345 PolarHBondContact O-N 3.05Å; G1343-E1346 PolarHBondContact O-N 3.08Å; G1343-R1347 WeakPolarHBondContact O-CG 3.3Å; G1343-R1347 PolarHBondContact O-N 3.11Å
1344A65Low71.6Confident62 Ų6289.2 Ų89.251%0.51245%0.447SS..THydrogen-bonded Turntrans-58.8-23.8-173.600000114.6I1340 E1341 R1342I1340-A1344 PolarHBondContact O-N 2.92Å; E1341-A1344 WeakPolarHBondContact O-CB 3.29Å; E1341-A1344 PolarHBondContact O-N 3.39Å; R1342-A1344 VanDerWaalsContact C-N 3.31Å
1345A65.8Low71.6Confident101 Ų10185.1 Ų85.184%0.83543%0.434SS*.THydrogen-bonded Turntrans-78.9-13.9174.500000114.5G1343G1343-A1345 PolarHBondContact O-N 3.05Å
1346E61.9Low72.1Confident103 Ų10384.4 Ų84.448%0.48143%0.434SS..SBendtrans-112.77.5179.9-62.1-176.815400112.2G1343 Y1364 K1367G1343-E1346 PolarHBondContact O-N 3.08Å; E1346-Y1364 WeakPolarHBondContact OE2-CB 3.43Å; E1346-K1367 IonicContact OE1-NZ 3.21Å; E1346-K1367 PolarHBondContact OE1-NZ 3.36Å; E1346-K1367 IonicContact OE2-NZ 3.47Å; E1346-K1367 PolarHBondContact OE2-NZ 3.49Å
1347R59Low72.5Confident73 Ų7383.8 Ų83.828%0.27543%0.433SS..  trans-97.8112.4-175.8-80.1178.5176.8-152.9-8.8113.3G1343 Y1364G1343-R1347 WeakPolarHBondContact O-CG 3.3Å; G1343-R1347 PolarHBondContact O-N 3.11Å; R1347-Y1364 HydrophobicContact CG-CE1 4.4Å; R1347-Y1364 PolarHBondContact NE-OH 2.94Å; R1347-Y1364 PolarHBondContact NH2-OH 2.72Å
1348D61.2Low72.8Confident174 Ų17482.2 Ų82.293%0.9343%0.425SS*.SBendtrans-89.2-8.6167.7-69.4-29.1000113.9
1349F68.1Low73Confident123 Ų12386.1 Ų86.154%0.53944%0.437SS..  trans-150.8132.1-167.6-174.6-112.8000114.2H1356F1349-H1356 HydrophobicContact CE1-CB 3.78Å; F1349-H1356 AromaticContact CE1-CG 3.89Å; F1349-H1356 HydrophobicContact CZ-CB 3.99Å; F1349-H1356 AromaticContact CZ-CE1 3.81Å; F1349-H1356 AromaticContact CZ-CG 3.57Å; F1349-H1356 AromaticContact CZ-ND1 3.44Å; F1349-H1356 WeakPolarHBondContact CZ-ND1 3.28Å
1350E69.5Low73.4Confident152 Ų15286.3 Ų86.371%0.7144%0.442SS*.  trans-108.7127.3175.4-171170.2-152.300111.3V1352E1350-V1352 PolarHBondContact O-N 3.47Å; E1350-V1352 VanDerWaalsContact O-N 3.15Å
1351P71.9Confident73.8Confident41 Ų4185 Ų8527%0.26644%0.438SS..  trans-82.195.8-171.330.3-34.6000114.4H1356 A1357 A1360P1351-H1356 HydrophobicContact CB-CB 3.67Å; P1351-A1357 VanDerWaalsContact CB-CA 3.44Å; P1351-A1357 HydrophobicContact CB-CB 4Å; P1351-A1357 VanDerWaalsContact CB-N 3.29Å; P1351-A1357 HydrophobicContact CG-CB 4.41Å; P1351-A1360 HydrophobicContact CB-CB 4.07Å; P1351-A1360 HydrophobicContact CG-CB 3.99Å
1352V80.3Confident74Confident130 Ų13082.2 Ų82.279%0.78843%0.427SS*.  trans-74.7-21.1176.9-172.70000114.3E1350E1350-V1352 PolarHBondContact O-N 3.47Å; E1350-V1352 VanDerWaalsContact O-N 3.15Å
1353T82.6Confident74.5Confident68 Ų6878.4 Ų78.442%0.41741%0.413SS..SBendtrans-122.9155.2-177.172.70000111.7G1355 H1356 A1357T1353-G1355 PolarHBondContact O-N 3.28Å; T1353-G1355 VanDerWaalsContact O-N 3.15Å; T1353-H1356 CarbonylContact O-C 3.59Å; T1353-H1356 WeakPolarHBondContact O-CA 3.44Å; T1353-H1356 WeakPolarHBondContact O-CB 3.06Å; T1353-H1356 PolarHBondContact O-N 3.33Å; T1353-H1356 PolarHBondContact OG1-CD2 3.45Å; T1353-H1356 VanDerWaalsContact OG1-CD2 3.27Å; T1353-H1356 PolarHBondContact OG1-N 3.31Å; T1353-A1357 PolarHBondContact O-N 2.96Å
1354Y82.8Confident75.1Confident58 Ų5879.7 Ų79.723%0.22742%0.418CS..Hα-helixtrans-50.2-41.3173.6177.3-95.9000112.5H1356 A1357 K1358 P1962 D1965 Q2374Y1354-H1356 VanDerWaalsContact C-N 3.28Å; Y1354-H1356 PolarHBondContact O-N 3.31Å; Y1354-A1357 PolarHBondContact O-N 3.48Å; Y1354-K1358 HydrophobicContact CE1-CD 4.08Å; Y1354-K1358 VanDerWaalsContact O-CB 3.28Å; Y1354-K1358 WeakPolarHBondContact O-CB 3.34Å; Y1354-K1358 PolarHBondContact O-N 2.96Å; Y1354-P1962 HydrophobicContact CD1-CG 4.36Å; Y1354-P1962 HydrophobicContact CE1-CG 3.6Å; Y1354-P1962 WeakPolarHBondContact OH-CD 3.46Å; Y1354-D1965 WeakPolarHBondContact OH-CB 3.49Å; Y1354-D1965 PolarHBondContact OH-OD2 2.97Å; Y1354-D1965 VanDerWaalsContact OH-OD2 3.06Å; Y1354-Q2374 HydrophobicContact CD2-CG 3.96Å; Y1354-Q2374 HydrophobicContact CE2-CG 4Å
1355G82.2Confident75.5Confident22 Ų2276.8 Ų76.823%0.22739%0.394CS..Hα-helixtrans-68.1-24.8177.200000114.1T1353 R1359T1353-G1355 PolarHBondContact O-N 3.28Å; T1353-G1355 VanDerWaalsContact O-N 3.15Å; G1355-R1359 WeakPolarHBondContact O-CG 3.31Å; G1355-R1359 PolarHBondContact O-NH1 2.98Å
1356H84.9Confident76Confident72 Ų7272.9 Ų72.933%0.33336%0.358SS..Hα-helixtrans-78.5-49.1170-63176.1000110.4F1349 P1351 T1353 Y1354 K1358 R1359 A1360F1349-H1356 HydrophobicContact CE1-CB 3.78Å; F1349-H1356 AromaticContact CE1-CG 3.89Å; F1349-H1356 HydrophobicContact CZ-CB 3.99Å; F1349-H1356 AromaticContact CZ-CE1 3.81Å; F1349-H1356 AromaticContact CZ-CG 3.57Å; F1349-H1356 AromaticContact CZ-ND1 3.44Å; F1349-H1356 WeakPolarHBondContact CZ-ND1 3.28Å; P1351-H1356 HydrophobicContact CB-CB 3.67Å; T1353-H1356 CarbonylContact O-C 3.59Å; T1353-H1356 WeakPolarHBondContact O-CA 3.44Å; T1353-H1356 WeakPolarHBondContact O-CB 3.06Å; T1353-H1356 PolarHBondContact O-N 3.33Å; T1353-H1356 PolarHBondContact OG1-CD2 3.45Å; T1353-H1356 VanDerWaalsContact OG1-CD2 3.27Å; T1353-H1356 PolarHBondContact OG1-N 3.31Å; Y1354-H1356 VanDerWaalsContact C-N 3.28Å; Y1354-H1356 PolarHBondContact O-N 3.31Å; H1356-K1358 PolarHBondContact O-N 3.24Å; H1356-R1359 CarbonylContact O-C 3.59Å; H1356-R1359 WeakPolarHBondContact O-CA 3.29Å; H1356-R1359 PolarHBondContact O-N 3.33Å; H1356-A1360 WeakPolarHBondContact O-CB 3.32Å; H1356-A1360 PolarHBondContact O-N 3.29Å
1357A80.3Confident76.4Confident6 Ų674.4 Ų74.45%0.0536%0.363CS..Hα-helixtrans-56.1-49.8-178.500000111.3P1351 T1353 Y1354 R1359 A1360 A2378P1351-A1357 VanDerWaalsContact CB-CA 3.44Å; P1351-A1357 HydrophobicContact CB-CB 4Å; P1351-A1357 VanDerWaalsContact CB-N 3.29Å; P1351-A1357 HydrophobicContact CG-CB 4.41Å; T1353-A1357 PolarHBondContact O-N 2.96Å; Y1354-A1357 PolarHBondContact O-N 3.48Å; A1357-R1359 PolarHBondContact O-N 2.76Å; A1357-A1360 PolarHBondContact O-N 3.29Å; A1357-A2378 WeakPolarHBondContact O-CB 3.32Å
1358K83.1Confident77.1Confident60 Ų6073.2 Ų73.226%0.26136%0.359SS..THydrogen-bonded Turntrans-52.6-26.4173.9-177.8177.5-178.8177.70114.6Y1354 H1356 D1965 I2381Y1354-K1358 HydrophobicContact CE1-CD 4.08Å; Y1354-K1358 VanDerWaalsContact O-CB 3.28Å; Y1354-K1358 WeakPolarHBondContact O-CB 3.34Å; Y1354-K1358 PolarHBondContact O-N 2.96Å; H1356-K1358 PolarHBondContact O-N 3.24Å; K1358-D1965 WeakPolarHBondContact CE-OD1 3.37Å; K1358-D1965 WeakPolarHBondContact CE-OD2 3.41Å; K1358-D1965 IonicContact NZ-OD1 2.75Å; K1358-D1965 PolarHBondContact NZ-OD1 2.66Å; K1358-D1965 IonicContact NZ-OD2 3.49Å; K1358-D1965 PolarHBondContact NZ-OD2 3.47Å; K1358-I2381 HydrophobicContact CG-CD1 3.97Å
1359R82.1Confident77.3Confident183 Ų18368.1 Ų68.169%0.69133%0.332SS*.THydrogen-bonded Turntrans-105.5-7.5-178.1-66.2-176.6-178.696.5-9.7113.9G1355 H1356 A1357 G1361G1355-R1359 WeakPolarHBondContact O-CG 3.31Å; G1355-R1359 PolarHBondContact O-NH1 2.98Å; H1356-R1359 CarbonylContact O-C 3.59Å; H1356-R1359 WeakPolarHBondContact O-CA 3.29Å; H1356-R1359 PolarHBondContact O-N 3.33Å; A1357-R1359 PolarHBondContact O-N 2.76Å; R1359-G1361 PolarHBondContact O-N 3.04Å
1360A79.7Confident77.2Confident28 Ų2862.7 Ų62.723%0.23131%0.309CS..  trans-81.75.1-175.100000114.2P1351 H1356 A1357P1351-A1360 HydrophobicContact CB-CB 4.07Å; P1351-A1360 HydrophobicContact CG-CB 3.99Å; H1356-A1360 WeakPolarHBondContact O-CB 3.32Å; H1356-A1360 PolarHBondContact O-N 3.29Å; A1357-A1360 PolarHBondContact O-N 3.29Å
1361G77.8Confident76.7Confident10 Ų1059.2 Ų59.210%0.10329%0.292CS..  trans-65.7134.1172.100000111.5R1359 F2382R1359-G1361 PolarHBondContact O-N 3.04Å; G1361-F2382 WeakPolarHBondContact O-CD2 3.34Å; G1361-F2382 VanDerWaalsContact O-CE2 3.28Å; G1361-F2382 WeakPolarHBondContact O-CE2 3.4Å
1362D78.8Confident76.4Confident56 Ų5663.3 Ų63.330%0.29931%0.312SS..  trans-152.7165.5-177.4-175.735.9000112Y1364 M1365 F1366D1362-Y1364 HydrophobicContact CB-CD1 3.84Å; D1362-Y1364 HydrophobicContact CB-CE1 3.83Å; D1362-Y1364 PolarHBondContact O-N 3.27Å; D1362-Y1364 VanDerWaalsContact O-N 3.13Å; D1362-Y1364 WeakPolarHBondContact OD2-CD1 3.16Å; D1362-M1365 WeakPolarHBondContact O-CB 3.05Å; D1362-M1365 WeakPolarHBondContact O-CG 3.47Å; D1362-M1365 PolarHBondContact O-N 3.12Å; D1362-M1365 VanDerWaalsContact O-N 3.11Å; D1362-F1366 WeakPolarHBondContact O-CD2 3.47Å; D1362-F1366 WeakPolarHBondContact O-CE2 3.27Å
1363Y80Confident75.4Confident123 Ų12358.2 Ų58.248%0.48228%0.28SS..G310 helixtrans-54.5-31.7-173.6-68.1-78.2000114.3M1365 F1366 K1367 F2382 T2389Y1363-M1365 PolarHBondContact O-N 3.42Å; Y1363-F1366 PolarHBondContact O-N 3.19Å; Y1363-K1367 PolarHBondContact O-N 2.9Å; Y1363-F2382 HydrophobicContact CD1-CE1 4.08Å; Y1363-F2382 HydrophobicContact CD1-CZ 4.07Å; Y1363-F2382 AromaticContact CD2-CZ 3.89Å; Y1363-F2382 HydrophobicContact CD2-CZ 3.89Å; Y1363-F2382 HydrophobicContact CE1-CE1 4.21Å; Y1363-F2382 HydrophobicContact CE1-CZ 4.07Å; Y1363-F2382 AromaticContact CE2-CZ 3.9Å; Y1363-F2382 HydrophobicContact CE2-CZ 3.9Å; Y1363-F2382 HydrophobicContact CG-CE1 4.3Å; Y1363-F2382 AromaticContact CG-CZ 3.97Å; Y1363-F2382 HydrophobicContact CG-CZ 3.97Å; Y1363-F2382 AromaticContact CZ-CZ 3.99Å; Y1363-T2389 HydrophobicContact CD1-CG2 3.74Å; Y1363-T2389 HydrophobicContact CE1-CG2 3.81Å
1364Y79.5Confident74.2Confident28 Ų2861.1 Ų61.111%0.1129%0.293CS..G310 helixtrans-59.7-29.6179.676.8-95.8000113.1E1346 R1347 D1362 F1366 K1367E1346-Y1364 WeakPolarHBondContact OE2-CB 3.43Å; R1347-Y1364 HydrophobicContact CG-CE1 4.4Å; R1347-Y1364 PolarHBondContact NE-OH 2.94Å; R1347-Y1364 PolarHBondContact NH2-OH 2.72Å; D1362-Y1364 HydrophobicContact CB-CD1 3.84Å; D1362-Y1364 HydrophobicContact CB-CE1 3.83Å; D1362-Y1364 PolarHBondContact O-N 3.27Å; D1362-Y1364 VanDerWaalsContact O-N 3.13Å; D1362-Y1364 WeakPolarHBondContact OD2-CD1 3.16Å; Y1364-F1366 PolarHBondContact O-N 2.92Å; Y1364-F1366 VanDerWaalsContact O-N 3.09Å; Y1364-K1367 PolarHBondContact O-N 2.89Å
1365M74.6Confident72.8Confident2 Ų262.3 Ų62.31%0.0130%0.303CS..G310 helixtrans-65.6-10.9176.1-56.2175.38300113.1Y1336 D1362 Y1363 Y1368 K2379Y1336-M1365 HydrophobicContact CE2-CE 3.67Å; Y1336-M1365 WeakPolarHBondContact OH-CE 3.12Å; D1362-M1365 WeakPolarHBondContact O-CB 3.05Å; D1362-M1365 WeakPolarHBondContact O-CG 3.47Å; D1362-M1365 PolarHBondContact O-N 3.12Å; D1362-M1365 VanDerWaalsContact O-N 3.11Å; Y1363-M1365 PolarHBondContact O-N 3.42Å; M1365-Y1368 WeakPolarHBondContact O-CE1 3.38Å; M1365-K2379 HydrophobicContact CE-CB 3.64Å; M1365-K2379 HydrophobicContact CE-CD 4.23Å; M1365-K2379 HydrophobicContact CE-CG 3.94Å; M1365-K2379 WeakPolarHBondContact O-CE 3.37Å; M1365-K2379 PolarHBondContact O-NZ 2.96Å
1366F75.8Confident71.3Confident19 Ų1964.3 Ų64.38%0.08331%0.311CS..G310 helixtrans-121.72.9-175.5-49.3-84.4000113.7D1362 Y1363 Y1364 Y1368 K2379 F2382 L2383 W2393D1362-F1366 WeakPolarHBondContact O-CD2 3.47Å; D1362-F1366 WeakPolarHBondContact O-CE2 3.27Å; Y1363-F1366 PolarHBondContact O-N 3.19Å; Y1364-F1366 PolarHBondContact O-N 2.92Å; Y1364-F1366 VanDerWaalsContact O-N 3.09Å; F1366-Y1368 PolarHBondContact O-N 3.47Å; F1366-Y1368 VanDerWaalsContact O-N 3.12Å; F1366-K2379 HydrophobicContact CE1-CD 4.42Å; F1366-K2379 HydrophobicContact CE1-CG 3.6Å; F1366-K2379 HydrophobicContact CZ-CB 4.49Å; F1366-K2379 HydrophobicContact CZ-CG 3.56Å; F1366-K2379 WeakPolarHBondContact CZ-O 3.36Å; F1366-F2382 AromaticContact CD2-CD1 3.89Å; F1366-F2382 HydrophobicContact CD2-CD1 3.89Å; F1366-F2382 HydrophobicContact CD2-CE1 4.01Å; F1366-F2382 HydrophobicContact CE2-CB 4.21Å; F1366-F2382 AromaticContact CE2-CD1 3.17Å; F1366-F2382 HydrophobicContact CE2-CD1 3.17Å; F1366-F2382 AromaticContact CE2-CE1 3.74Å; F1366-F2382 HydrophobicContact CE2-CE1 3.74Å; F1366-F2382 AromaticContact CE2-CG 3.96Å; F1366-F2382 HydrophobicContact CE2-CG 3.96Å; F1366-F2382 HydrophobicContact CZ-CB 4.2Å; F1366-F2382 AromaticContact CZ-CD1 3.78Å; F1366-F2382 HydrophobicContact CZ-CD1 3.78Å; F1366-F2382 HydrophobicContact CZ-CG 4.4Å; F1366-L2383 HydrophobicContact CD1-CD1 4.22Å; F1366-L2383 HydrophobicContact CE1-CB 3.89Å; F1366-L2383 HydrophobicContact CE1-CD1 3.83Å; F1366-L2383 HydrophobicContact CE1-CG 4.13Å; F1366-L2383 HydrophobicContact CZ-CB 4.16Å; F1366-W2393 VanDerWaalsContact CA-CZ3 3.45Å; F1366-W2393 HydrophobicContact CB-CE3 4.03Å; F1366-W2393 HydrophobicContact CB-CH2 4.39Å; F1366-W2393 HydrophobicContact CB-CZ3 3.55Å; F1366-W2393 HydrophobicContact CD1-CD2 4.47Å; F1366-W2393 AromaticContact CD1-CE3 3.88Å; F1366-W2393 HydrophobicContact CD1-CE3 3.88Å; F1366-W2393 AromaticContact CD1-CH2 3.95Å; F1366-W2393 HydrophobicContact CD1-CH2 3.95Å; F1366-W2393 AromaticContact CD1-CZ3 3.65Å; F1366-W2393 HydrophobicContact CD1-CZ3 3.65Å; F1366-W2393 HydrophobicContact CG-CE3 4.44Å; F1366-W2393 HydrophobicContact CG-CZ3 4.08Å; F1366-W2393 WeakPolarHBondContact O-CZ3 3.33Å
1367K70.7Confident69.6Low135 Ų13569 Ų6959%0.58733%0.333SS*.  trans-76.613-179.9-73.7179.3-178.1165.50114.8E1346 Y1363 Y1364E1346-K1367 IonicContact OE1-NZ 3.21Å; E1346-K1367 PolarHBondContact OE1-NZ 3.36Å; E1346-K1367 IonicContact OE2-NZ 3.47Å; E1346-K1367 PolarHBondContact OE2-NZ 3.49Å; Y1363-K1367 PolarHBondContact O-N 2.9Å; Y1364-K1367 PolarHBondContact O-N 2.89Å
1368Y72.7Confident68.1Low47 Ų4771.1 Ų71.118%0.18435%0.346CS..SBendtrans-113.5149.2177.474.3-93.5000110.8Q1339 M1365 F1366 P1370 D1373 K2379 W2393Q1339-Y1368 HydrophobicContact CG-CD1 4.4Å; Q1339-Y1368 HydrophobicContact CG-CE1 4.38Å; M1365-Y1368 WeakPolarHBondContact O-CE1 3.38Å; F1366-Y1368 PolarHBondContact O-N 3.47Å; F1366-Y1368 VanDerWaalsContact O-N 3.12Å; Y1368-P1370 VanDerWaalsContact O-CD 3.31Å; Y1368-P1370 WeakPolarHBondContact O-CD 3.5Å; Y1368-D1373 WeakPolarHBondContact CE2-OD2 3.34Å; Y1368-D1373 PolarHBondContact OH-OD2 3.45Å; Y1368-K2379 PolarHBondContact OH-NZ 3.32Å; Y1368-W2393 HydrophobicContact CD1-CH2 4.27Å; Y1368-W2393 AromaticContact CE1-CH2 3.65Å; Y1368-W2393 HydrophobicContact CE1-CH2 3.65Å; Y1368-W2393 HydrophobicContact CE1-CZ2 4.43Å; Y1368-W2393 HydrophobicContact CE2-CH2 4.05Å; Y1368-W2393 HydrophobicContact CE2-CZ2 4.38Å; Y1368-W2393 AromaticContact CZ-CH2 3.54Å; Y1368-W2393 AromaticContact CZ-CZ2 3.92Å
1369D66Low66.1Low68 Ų6871.3 Ų71.336%0.36435%0.352SS..  trans-74.3118.7-176.4-151.8-7.2000110.7E1371 N1372 K2400D1369-E1371 PolarHBondContact O-N 2.97Å; D1369-E1371 VanDerWaalsContact O-N 3.07Å; D1369-N1372 PolarHBondContact O-N 3.5Å; D1369-N1372 VanDerWaalsContact O-N 3.11Å; D1369-N1372 PolarHBondContact O-ND2 2.99Å; D1369-K2400 IonicContact OD1-NZ 3.15Å; D1369-K2400 PolarHBondContact OD1-NZ 2.89Å
1370P65Low64.3Low9 Ų969 Ų696%0.05835%0.354CS..G310 helixtrans-65.4-8.9-177.226.1-37.1000114.3Y1368 N1372 D1373 H2353 W2393Y1368-P1370 VanDerWaalsContact O-CD 3.31Å; Y1368-P1370 WeakPolarHBondContact O-CD 3.5Å; P1370-N1372 VanDerWaalsContact C-N 3.34Å; P1370-D1373 WeakPolarHBondContact O-CB 3.14Å; P1370-D1373 PolarHBondContact O-N 3.22Å; P1370-H2353 PolarHBondContact O-CE1 3.38Å; P1370-W2393 HydrophobicContact CB-CD2 4.35Å; P1370-W2393 HydrophobicContact CB-CZ2 4.32Å; P1370-W2393 HydrophobicContact CG-CD2 4.44Å
1371E60.1Low62.6Low78 Ų7870.1 Ų70.136%0.36436%0.36SS..G310 helixtrans-73.5-22.1172.8-60.4-164.4161.500113.2D1369 D1373 S2397D1369-E1371 PolarHBondContact O-N 2.97Å; D1369-E1371 VanDerWaalsContact O-N 3.07Å; E1371-D1373 PolarHBondContact O-N 2.84Å; E1371-S2397 VanDerWaalsContact OE1-CA 3.28Å; E1371-S2397 WeakPolarHBondContact OE1-CA 3.33Å; E1371-S2397 WeakPolarHBondContact OE1-CB 3.46Å; E1371-S2397 PolarHBondContact OE1-OG 2.77Å
1372N65.5Low60.9Low128 Ų12873.7 Ų73.768%0.68437%0.373SS*.G310 helixtrans-75.1-8.3171.3-65-65.1000112.9D1369 P1370 D1374D1369-N1372 PolarHBondContact O-N 3.5Å; D1369-N1372 VanDerWaalsContact O-N 3.11Å; D1369-N1372 PolarHBondContact O-ND2 2.99Å; P1370-N1372 VanDerWaalsContact C-N 3.34Å; N1372-D1374 PolarHBondContact O-N 2.97Å
1373D60.2Low59.4Low22 Ų2272.9 Ų72.912%0.11837%0.37CS..SBendtrans-9780.4-179.4-106.7-12.3000109.2R1335 Y1368 P1370 E1371 L1375 K2356R1335-D1373 WeakPolarHBondContact CD-OD1 3.45Å; R1335-D1373 IonicContact CZ-OD1 2.68Å; R1335-D1373 IonicContact NE-OD1 3.01Å; R1335-D1373 IonicContact NH1-OD1 3.82Å; R1335-D1373 PolarHBondContact NH1-OD1 3.47Å; Y1368-D1373 WeakPolarHBondContact CE2-OD2 3.34Å; Y1368-D1373 PolarHBondContact OH-OD2 3.45Å; P1370-D1373 WeakPolarHBondContact O-CB 3.14Å; P1370-D1373 PolarHBondContact O-N 3.22Å; E1371-D1373 PolarHBondContact O-N 2.84Å; D1373-L1375 PolarHBondContact O-N 2.77Å; D1373-L1375 VanDerWaalsContact O-N 3.12Å; D1373-K2356 PolarHBondContact O-NZ 3.42Å
1374D57Low57.5Low129 Ų12968.2 Ų68.269%0.6935%0.354SS*.  trans-29.8115.4179.8-75.7-38.7000112.3N1372 V1376 K2356N1372-D1374 PolarHBondContact O-N 2.97Å; D1374-V1376 VanDerWaalsContact C-N 3.32Å; D1374-V1376 PolarHBondContact O-N 2.94Å; D1374-K2356 PolarHBondContact O-NZ 3.48Å
1375L53.3Low56Low83 Ų8372.1 Ų72.144%0.43537%0.374SS..  trans-71.392.8178.7-78.4175.1000108.3D1373 E1377 D2352D1373-L1375 PolarHBondContact O-N 2.77Å; D1373-L1375 VanDerWaalsContact O-N 3.12Å; L1375-E1377 PolarHBondContact O-N 3.48Å; L1375-E1377 VanDerWaalsContact O-N 3.09Å; L1375-D2352 HydrophobicContact CD2-CB 3.87Å
1376V51Low54.8Low65 Ų6573.9 Ų73.939%0.39438%0.384SS..  trans-54.2113.8174.5169.70000108.8D1374D1374-V1376 VanDerWaalsContact C-N 3.32Å; D1374-V1376 PolarHBondContact O-N 2.94Å
1377E49.4Very low53.5Low169 Ų16975 Ų7579%0.7939%0.391SS*.  trans-57.7128.2167.4-69.5-173.4158.700108.5L1375 V1379L1375-E1377 PolarHBondContact O-N 3.48Å; L1375-E1377 VanDerWaalsContact O-N 3.09Å; E1377-V1379 PolarHBondContact O-N 3.22Å
1378P48Very low52.4Low52 Ų5273.2 Ų73.234%0.33839%0.393SS..  trans-60.1124.7179.523.3-30.8000108.3D1380 Y1928P1378-D1380 PolarHBondContact O-N 2.77Å; P1378-Y1928 HydrophobicContact CB-CE2 3.88Å; P1378-Y1928 HydrophobicContact CG-CD2 4.35Å; P1378-Y1928 HydrophobicContact CG-CE2 3.46Å; P1378-Y1928 VanDerWaalsContact CG-CE2 3.46Å
1379V41.9Very low51.2Low63 Ų6380.5 Ų80.538%0.38243%0.426SS..  trans-62.8105.3-169.2179.80000110K1321 E1377 S1381K1321-V1379 HydrophobicContact CD-CG1 4.25Å; E1377-V1379 PolarHBondContact O-N 3.22Å; V1379-S1381 PolarHBondContact O-N 2.88Å
1380D43.9Very low50.3Low136 Ų13679.6 Ų79.673%0.72743%0.428SS*.  trans-61.999.6179.8-93-30000110.5P1378P1378-D1380 PolarHBondContact O-N 2.77Å
1381S44.2Very low49.7Very low50 Ų5080.9 Ų80.935%0.3544%0.435SS..  trans61.5144.9175.8730000117.3K1321 V1379 V1383K1321-S1381 PolarHBondContact NZ-O 3.29Å; V1379-S1381 PolarHBondContact O-N 2.88Å; S1381-V1383 PolarHBondContact O-N 2.88Å; S1381-V1383 PolarHBondContact OG-O 2.81Å
1382F42.4Very low49.6Very low86 Ų8679.7 Ų79.738%0.37744%0.439SS..SBendtrans-77-9.5170.7-69.1-75.7000113.3I1920 H1926F1382-I1920 VanDerWaalsContact CE2-O 3.25Å; F1382-I1920 WeakPolarHBondContact CE2-O 3.3Å; F1382-I1920 VanDerWaalsContact CZ-O 3.29Å; F1382-I1920 WeakPolarHBondContact CZ-O 3.3Å; F1382-H1926 AromaticContact CD2-CE1 3.88Å; F1382-H1926 AromaticContact CE2-CE1 3.49Å; F1382-H1926 VanDerWaalsContact CE2-CE1 3.49Å; F1382-H1926 WeakPolarHBondContact CE2-CE1 3.22Å; F1382-H1926 AromaticContact CE2-NE2 3.8Å
1383V47.1Very low49.5Very low39 Ų3975.5 Ų75.524%0.23641%0.414CS..SBendtrans-115.9112-176.8-1780000108.5S1381 E1385 R1789S1381-V1383 PolarHBondContact O-N 2.88Å; S1381-V1383 PolarHBondContact OG-O 2.81Å; V1383-E1385 PolarHBondContact O-N 3.49Å; V1383-R1789 HydrophobicContact CG2-CG 4.23Å
1384P40Very low49.7Very low24 Ų2480.2 Ų80.216%0.15644%0.439CS..  trans-64.1128.5-175.2-19.932.4000111.9Q1314 Q1317 V1386Q1314-P1384 HydrophobicContact CG-CG 4.28Å; Q1317-P1384 HydrophobicContact CB-CG 4.43Å; P1384-V1386 PolarHBondContact O-N 2.7Å
1385E46.4Very low50.4Low111 Ų11178.6 Ų78.652%0.51942%0.423SS..  trans-82106.4164.2-62.9-160.2165.200108.9V1383 D1387 K1487V1383-E1385 PolarHBondContact O-N 3.49Å; E1385-D1387 PolarHBondContact O-N 2.9Å; E1385-K1487 WeakPolarHBondContact OE1-CE 3.31Å; E1385-K1487 IonicContact OE1-NZ 2.67Å; E1385-K1487 PolarHBondContact OE1-NZ 3.27Å; E1385-K1487 WeakPolarHBondContact OE2-CE 3.31Å; E1385-K1487 IonicContact OE2-NZ 3.7Å; E1385-K1487 PolarHBondContact OE2-NZ 2.9Å
1386V50.4Low51.2Low39 Ų3974.7 Ų74.724%0.23640%0.403CS..SBendtrans-66-10.9-164.8177.60000114.4E1313 P1384E1313-V1386 VanDerWaalsContact OE2-CG1 3.26Å; E1313-V1386 WeakPolarHBondContact OE2-CG1 3.41Å; P1384-V1386 PolarHBondContact O-N 2.7Å
1387D48.8Very low52.1Low41 Ų4174.6 Ų74.622%0.21940%0.4CS..  trans-144.878.1176.9-65.9-65.9000114E1385 K1389 A1390 T1391 R1490E1385-D1387 PolarHBondContact O-N 2.9Å; D1387-K1389 PolarHBondContact O-N 3.21Å; D1387-K1389 VanDerWaalsContact O-N 3.11Å; D1387-A1390 HydrophobicContact CB-CB 3.89Å; D1387-A1390 PolarHBondContact O-N 2.98Å; D1387-T1391 PolarHBondContact O-OG1 2.82Å; D1387-R1490 IonicContact OD2-CZ 2.77Å; D1387-R1490 IonicContact OD2-NH1 3.63Å; D1387-R1490 PolarHBondContact OD2-NH1 3.04Å
1388P48.3Very low53.4Low98 Ų9868 Ų6864%0.63637%0.372SS*.THydrogen-bonded Turntrans-60.5-27.7-177.923-33.4000113.8
1389K46.1Very low54.6Low201 Ų20167 Ų6787%0.87437%0.371SS*.THydrogen-bonded Turntrans-85.8-21.8-177.9-68177.3-179.3170.10114.6D1387D1387-K1389 PolarHBondContact O-N 3.21Å; D1387-K1389 VanDerWaalsContact O-N 3.11Å
1390A46.8Very low56.3Low49 Ų4965.7 Ų65.741%0.40536%0.361SS..THydrogen-bonded Turntrans-92.2-15.1-173.700000113.8D1387D1387-A1390 HydrophobicContact CB-CB 3.89Å; D1387-A1390 PolarHBondContact O-N 2.98Å
1391T53.6Low58Low35 Ų3559.3 Ų59.322%0.21533%0.326CS..SBendtrans-122.68.7-177.553.20000114.8D1387 V1483 K1487D1387-T1391 PolarHBondContact O-OG1 2.82Å; T1391-V1483 WeakPolarHBondContact O-CG1 3.12Å; T1391-K1487 HydrophobicContact CG2-CB 4.28Å; T1391-K1487 HydrophobicContact CG2-CG 4.38Å
1392A56.9Low59.6Low53 Ų5362.4 Ų62.444%0.43834%0.337SS..  trans-67.5144.6175.100000112.2D1394A1392-D1394 PolarHBondContact O-N 2.75Å
1393Y63.2Low61.3Low40 Ų4061.7 Ų61.716%0.15733%0.332CS..  trans-93.989.2175.4-172.7-109.2000110.3R1395 D1397 S1476 D1479 L1480Y1393-R1395 HydrophobicContact CD1-CB 4.49Å; Y1393-R1395 HydrophobicContact CE1-CB 3.86Å; Y1393-R1395 HydrophobicContact CE2-CB 4.43Å; Y1393-R1395 PolarHBondContact O-N 2.82Å; Y1393-D1397 WeakPolarHBondContact CD1-OD1 3.39Å; Y1393-S1476 WeakPolarHBondContact OH-CA 3.05Å; Y1393-S1476 WeakPolarHBondContact OH-CB 3.48Å; Y1393-S1476 PolarHBondContact OH-O 2.98Å; Y1393-S1476 PolarHBondContact OH-OG 3.42Å; Y1393-D1479 HydrophobicContact CE2-CB 4.03Å; Y1393-L1480 HydrophobicContact CD1-CD1 4.45Å; Y1393-L1480 HydrophobicContact CD2-CD1 4.45Å; Y1393-L1480 HydrophobicContact CE2-CB 4.33Å; Y1393-L1480 HydrophobicContact CG-CD1 4.19Å
1394D66.1Low62.6Low121 Ų12159.9 Ų59.965%0.64732%0.321SS*.  trans-73.426.4-172.5-67.3-16.1000115.4A1392 R1431A1392-D1394 PolarHBondContact O-N 2.75Å; D1394-R1431 VanDerWaalsContact C-NH1 3.33Å; D1394-R1431 PolarHBondContact O-NH1 2.97Å
1395R70.9Confident64.4Low95 Ų9558.9 Ų58.936%0.35832%0.315SS..SBendtrans-134.6169.3-176.7-64.8-179-177.1167.74.5111.5Y1393 D1397 R1431 D1479Y1393-R1395 HydrophobicContact CD1-CB 4.49Å; Y1393-R1395 HydrophobicContact CE1-CB 3.86Å; Y1393-R1395 HydrophobicContact CE2-CB 4.43Å; Y1393-R1395 PolarHBondContact O-N 2.82Å; R1395-D1397 PolarHBondContact O-N 2.81Å; R1395-R1431 PolarHBondContact O-NH2 3.21Å; R1395-D1479 IonicContact CZ-OD2 3.79Å; R1395-D1479 IonicContact NH1-OD2 2.83Å; R1395-D1479 PolarHBondContact NH1-OD2 2.82Å
1396L70Confident65.8Low2 Ų255.2 Ų55.21%0.0130%0.3CS..  trans-65.7126.9173-74.387.7000111.1Q1400 I1401 V1419 D1423 R1431 A1435 S1476L1396-Q1400 HydrophobicContact CB-CB 4.34Å; L1396-Q1400 HydrophobicContact CD2-CB 4.4Å; L1396-I1401 HydrophobicContact CB-CD1 4.22Å; L1396-I1401 HydrophobicContact CB-CG1 3.69Å; L1396-I1401 WeakPolarHBondContact O-CD1 3.37Å; L1396-V1419 HydrophobicContact CD2-CG2 4.41Å; L1396-D1423 WeakPolarHBondContact CD1-OD1 3.45Å; L1396-D1423 PolarHBondContact N-OD1 2.9Å; L1396-R1431 HydrophobicContact CD1-CG 3.56Å; L1396-R1431 HydrophobicContact CG-CG 4.09Å; L1396-A1435 HydrophobicContact CD2-CB 3.65Å; L1396-S1476 PolarHBondContact O-OG 3.5Å; L1396-S1476 VanDerWaalsContact O-OG 3.07Å
1397D70.7Confident66.8Low63 Ų6355.3 Ų55.334%0.33731%0.305SS..  trans-59.3151.4174.5-79.1-34.4000111.3Y1393 R1395 G1399 Q1400 I1401Y1393-D1397 WeakPolarHBondContact CD1-OD1 3.39Å; R1395-D1397 PolarHBondContact O-N 2.81Å; D1397-G1399 PolarHBondContact O-N 3.01Å; D1397-G1399 VanDerWaalsContact O-N 3.1Å; D1397-Q1400 HydrophobicContact CB-CB 4.36Å; D1397-Q1400 HydrophobicContact CB-CG 4.15Å; D1397-Q1400 PolarHBondContact O-N 3.08Å; D1397-I1401 WeakPolarHBondContact O-CG1 3.18Å; D1397-I1401 PolarHBondContact O-N 2.84Å
1398P74.9Confident68Low30 Ų3054.5 Ų54.520%0.19530%0.3CS..Hα-helixtrans-51.7-35.3172.6-26.634.9000113M1402 A1477P1398-M1402 VanDerWaalsContact O-CB 3.31Å; P1398-M1402 WeakPolarHBondContact O-CB 2.92Å; P1398-M1402 PolarHBondContact O-N 3.12Å; P1398-A1477 HydrophobicContact CG-CB 4.12Å
1399G74.3Confident69Low30 Ų3053.4 Ų53.431%0.30929%0.289SS..Hα-helixtrans-68.6-38.2174.200000114.2D1397 M1402 Y1403D1397-G1399 PolarHBondContact O-N 3.01Å; D1397-G1399 VanDerWaalsContact O-N 3.1Å; G1399-M1402 PolarHBondContact O-N 2.92Å; G1399-Y1403 WeakPolarHBondContact O-CB 3.38Å; G1399-Y1403 PolarHBondContact O-N 3.1Å
1400Q77Confident70.2Confident36 Ų3648.3 Ų48.317%0.16827%0.271CS..Hα-helixtrans-69.7-41.5175.2-70175.5-13.300111.4L1396 D1397 M1402 Y1403 A1404 Y1989L1396-Q1400 HydrophobicContact CB-CB 4.34Å; L1396-Q1400 HydrophobicContact CD2-CB 4.4Å; D1397-Q1400 HydrophobicContact CB-CB 4.36Å; D1397-Q1400 HydrophobicContact CB-CG 4.15Å; D1397-Q1400 PolarHBondContact O-N 3.08Å; Q1400-M1402 VanDerWaalsContact C-N 3.32Å; Q1400-M1402 PolarHBondContact O-N 2.84Å; Q1400-Y1403 PolarHBondContact O-N 2.83Å; Q1400-A1404 PolarHBondContact O-N 3.44Å; Q1400-Y1989 HydrophobicContact CG-CE1 4.24Å
1401I80.9Confident71.5Confident2 Ų249 Ų491%0.0127%0.267CS..Hα-helixtrans-61-42.4173.7-64.3174000110.5L1396 D1397 A1405 V1419 F1469L1396-I1401 HydrophobicContact CB-CD1 4.22Å; L1396-I1401 HydrophobicContact CB-CG1 3.69Å; L1396-I1401 WeakPolarHBondContact O-CD1 3.37Å; D1397-I1401 WeakPolarHBondContact O-CG1 3.18Å; D1397-I1401 PolarHBondContact O-N 2.84Å; I1401-A1405 WeakPolarHBondContact O-CB 3.48Å; I1401-A1405 PolarHBondContact O-N 2.82Å; I1401-V1419 HydrophobicContact CD1-CG1 4.19Å; I1401-V1419 HydrophobicContact CG1-CG1 4.09Å; I1401-V1419 HydrophobicContact CG1-CG2 4.33Å; I1401-V1419 HydrophobicContact CG2-CG2 4.42Å; I1401-F1469 HydrophobicContact CG2-CD2 4.47Å; I1401-F1469 HydrophobicContact CG2-CE2 3.58Å; I1401-F1469 HydrophobicContact CG2-CZ 3.93Å
1402M76.5Confident72.5Confident115 Ų11548.6 Ų48.657%0.56726%0.264SS*.Hα-helixtrans-66.3-42.1175.9-173.9171.267.100112.1P1398 G1399 Q1400 A1405 T1406P1398-M1402 VanDerWaalsContact O-CB 3.31Å; P1398-M1402 WeakPolarHBondContact O-CB 2.92Å; P1398-M1402 PolarHBondContact O-N 3.12Å; G1399-M1402 PolarHBondContact O-N 2.92Å; Q1400-M1402 VanDerWaalsContact C-N 3.32Å; Q1400-M1402 PolarHBondContact O-N 2.84Å; M1402-A1405 PolarHBondContact O-N 2.75Å; M1402-T1406 PolarHBondContact O-N 2.85Å; M1402-T1406 PolarHBondContact O-OG1 3.04Å
1403Y77.9Confident73.2Confident72 Ų7248.2 Ų48.228%0.28226%0.261SS..Hα-helixtrans-58.9-49174.5-178.9-102.6000111.3G1399 Q1400 A1405 T1406 A1407 V1436 Y1989G1399-Y1403 WeakPolarHBondContact O-CB 3.38Å; G1399-Y1403 PolarHBondContact O-N 3.1Å; Q1400-Y1403 PolarHBondContact O-N 2.83Å; Y1403-A1405 VanDerWaalsContact C-N 3.32Å; Y1403-A1405 PolarHBondContact O-N 2.78Å; Y1403-T1406 WeakPolarHBondContact CA-OG1 3.31Å; Y1403-T1406 PolarHBondContact O-N 3.21Å; Y1403-T1406 VanDerWaalsContact O-N 3.11Å; Y1403-T1406 PolarHBondContact O-OG1 2.57Å; Y1403-A1407 WeakPolarHBondContact O-CB 3.29Å; Y1403-A1407 PolarHBondContact O-N 2.81Å; Y1403-V1436 HydrophobicContact CD1-CG2 4.24Å; Y1403-V1436 HydrophobicContact CE1-CG2 4.23Å; Y1403-Y1989 AromaticContact CD1-CD1 3.98Å; Y1403-Y1989 HydrophobicContact CD1-CD1 3.98Å; Y1403-Y1989 HydrophobicContact CD2-CD1 4.16Å; Y1403-Y1989 HydrophobicContact CE1-CD1 4.45Å; Y1403-Y1989 AromaticContact CG-CD1 3.8Å; Y1403-Y1989 HydrophobicContact CG-CD1 3.8Å; Y1403-Y1989 HydrophobicContact CG-CE1 4.48Å; Y1403-Y1989 PolarHBondContact OH-O 3.04Å
1404A75.7Confident73.7Confident1 Ų150.2 Ų50.21%0.00827%0.27CS..Hα-helixtrans-57.5-42.6174.600000112Q1400 T1406 A1407 H1408 A1435 V1436Q1400-A1404 PolarHBondContact O-N 3.44Å; A1404-T1406 VanDerWaalsContact C-N 3.35Å; A1404-T1406 PolarHBondContact O-N 3.22Å; A1404-A1407 PolarHBondContact O-N 3.37Å; A1404-H1408 PolarHBondContact O-CD2 2.88Å; A1404-H1408 PolarHBondContact O-N 2.94Å; A1404-A1435 HydrophobicContact CB-CB 4.33Å; A1404-V1436 HydrophobicContact CB-CG2 4.34Å
1405A76.6Confident74.2Confident3 Ų344.5 Ų44.53%0.02524%0.239CC..Hα-helixtrans-62.3-37.8175.100000113.6I1401 M1402 Y1403 L1410 T1415 F1469I1401-A1405 WeakPolarHBondContact O-CB 3.48Å; I1401-A1405 PolarHBondContact O-N 2.82Å; M1402-A1405 PolarHBondContact O-N 2.75Å; Y1403-A1405 VanDerWaalsContact C-N 3.32Å; Y1403-A1405 PolarHBondContact O-N 2.78Å; A1405-L1410 WeakPolarHBondContact O-CA 3.47Å; A1405-L1410 PolarHBondContact O-N 2.8Å; A1405-T1415 HydrophobicContact CB-CG2 4.32Å; A1405-F1469 HydrophobicContact CB-CE2 3.76Å; A1405-F1469 HydrophobicContact CB-CZ 3.61Å
1406T76.4Confident74.6Confident34 Ų3441 Ų4121%0.20923%0.228CC..Hα-helixtrans-74.5-28.4174.457.30000113.7M1402 Y1403 A1404M1402-T1406 PolarHBondContact O-N 2.85Å; M1402-T1406 PolarHBondContact O-OG1 3.04Å; Y1403-T1406 WeakPolarHBondContact CA-OG1 3.31Å; Y1403-T1406 PolarHBondContact O-N 3.21Å; Y1403-T1406 VanDerWaalsContact O-N 3.11Å; Y1403-T1406 PolarHBondContact O-OG1 2.57Å; A1404-T1406 VanDerWaalsContact C-N 3.35Å; A1404-T1406 PolarHBondContact O-N 3.22Å
1407A72.1Confident74.9Confident41 Ų4147.7 Ų47.734%0.33926%0.26SS..Hα-helixtrans-70.6-38.5175.100000111.7Y1403 A1404 D1409 V1436Y1403-A1407 WeakPolarHBondContact O-CB 3.29Å; Y1403-A1407 PolarHBondContact O-N 2.81Å; A1404-A1407 PolarHBondContact O-N 3.37Å; A1407-D1409 PolarHBondContact O-N 2.85Å; A1407-V1436 HydrophobicContact CB-CG1 3.89Å
1408H72.7Confident75.2Confident24 Ų2445.6 Ų45.611%0.11125%0.248CC..THydrogen-bonded Turntrans-84.226175.7-67.1-61.6000113.9A1404 L1410 D1411 T1415 Q1418 A1435 V1436A1404-H1408 PolarHBondContact O-CD2 2.88Å; A1404-H1408 PolarHBondContact O-N 2.94Å; H1408-L1410 PolarHBondContact O-N 3.08Å; H1408-D1411 WeakPolarHBondContact O-CB 3.47Å; H1408-D1411 PolarHBondContact O-N 2.84Å; H1408-T1415 HydrophobicContact CB-CG2 3.57Å; H1408-Q1418 PolarHBondContact CE1-NE2 2.89Å; H1408-Q1418 PolarHBondContact CE1-OE1 2.85Å; H1408-Q1418 PolarHBondContact NE2-NE2 3.31Å; H1408-Q1418 PolarHBondContact NE2-OE1 3.37Å; H1408-Q1418 VanDerWaalsContact NE2-OE1 3.16Å; H1408-A1435 PolarHBondContact NE2-O 3.43Å; H1408-V1436 PolarHBondContact CE1-O 3.06Å; H1408-V1436 PolarHBondContact NE2-O 3.09Å
1409D70.1Confident75.4Confident75 Ų7544.3 Ų44.340%0.40124%0.24SC..THydrogen-bonded Turntrans4935.1177.4-103.93.5000113.4A1407 G1998 K1999A1407-D1409 PolarHBondContact O-N 2.85Å; D1409-G1998 WeakPolarHBondContact OD1-CA 3.44Å; D1409-K1999 PolarHBondContact OD1-N 3.07Å
1410L71.2Confident75.6Confident94 Ų9449.6 Ų49.649%0.49225%0.254SS..THydrogen-bonded Turntrans65.128.5-174.5-58.7170.8000115.9A1405 H1408 L1412 L2000A1405-L1410 WeakPolarHBondContact O-CA 3.47Å; A1405-L1410 PolarHBondContact O-N 2.8Å; H1408-L1410 PolarHBondContact O-N 3.08Å; L1410-L1412 VanDerWaalsContact C-N 3.34Å; L1410-L1412 PolarHBondContact O-N 3.14Å; L1410-L2000 HydrophobicContact CD1-CD1 3.77Å; L1410-L2000 HydrophobicContact CG-CD1 4.34Å
1411D73.3Confident75.7Confident62 Ų6254.2 Ų54.233%0.33227%0.274SS..  trans-7486167.1-165.1-22.2000111.4H1408 A1413 K1414 T1415H1408-D1411 WeakPolarHBondContact O-CB 3.47Å; H1408-D1411 PolarHBondContact O-N 2.84Å; D1411-A1413 PolarHBondContact O-N 2.94Å; D1411-A1413 PolarHBondContact OD1-N 3.38Å; D1411-K1414 HydrophobicContact CB-CB 4.31Å; D1411-K1414 HydrophobicContact CB-CD 4.28Å; D1411-K1414 HydrophobicContact CB-CG 4.4Å; D1411-K1414 PolarHBondContact O-N 2.74Å; D1411-K1414 PolarHBondContact OD1-N 2.85Å; D1411-K1414 VanDerWaalsContact OD2-CD 3.29Å; D1411-K1414 WeakPolarHBondContact OD2-CD 3.32Å; D1411-K1414 WeakPolarHBondContact OD2-CE 3.43Å; D1411-K1414 WeakPolarHBondContact OD2-CG 3.41Å; D1411-T1415 WeakPolarHBondContact O-CG2 3.41Å; D1411-T1415 PolarHBondContact O-N 3.4Å; D1411-T1415 VanDerWaalsContact O-N 3.09Å; D1411-T1415 PolarHBondContact O-OG1 3.25Å
1412L76.4Confident75.3Confident27 Ų2754.1 Ų54.114%0.14127%0.273CS..Hα-helixtrans-65.4-16.9-175.9-56.2-175.5000113.7L1410 T1415 V1416 T1466 F1469L1410-L1412 VanDerWaalsContact C-N 3.34Å; L1410-L1412 PolarHBondContact O-N 3.14Å; L1412-T1415 VanDerWaalsContact CA-OG1 3.24Å; L1412-T1415 WeakPolarHBondContact CA-OG1 3.41Å; L1412-T1415 PolarHBondContact O-OG1 3.48Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.29Å; L1412-T1466 HydrophobicContact CD1-CG2 3.87Å; L1412-T1466 WeakPolarHBondContact CD1-OG1 3.33Å; L1412-F1469 HydrophobicContact CB-CB 4.28Å; L1412-F1469 HydrophobicContact CD1-CB 4.46Å; L1412-F1469 HydrophobicContact CD2-CB 4.4Å; L1412-F1469 HydrophobicContact CD2-CD1 3.98Å; L1412-F1469 HydrophobicContact CD2-CD2 4.05Å; L1412-F1469 HydrophobicContact CD2-CE1 4.26Å; L1412-F1469 HydrophobicContact CD2-CE2 4.32Å; L1412-F1469 HydrophobicContact CD2-CG 3.87Å; L1412-F1469 HydrophobicContact CD2-CZ 4.43Å
1413A69.8Low75.1Confident45 Ų4550.5 Ų50.537%0.37226%0.256SS..Hα-helixtrans-79.2-51.7175.500000111.2D1411 V1416 Q1417D1411-A1413 PolarHBondContact O-N 2.94Å; D1411-A1413 PolarHBondContact OD1-N 3.38Å; A1413-V1416 PolarHBondContact O-N 3.35Å; A1413-Q1417 PolarHBondContact O-N 3.21Å
1414K73.8Confident75Confident83 Ų8352.4 Ų52.436%0.36128%0.276SS..Hα-helixtrans-58.4-49.7176.6-70.8-175.8-179.1-174.10111.6D1411 V1416 Q1417 Q1418 E1438D1411-K1414 HydrophobicContact CB-CB 4.31Å; D1411-K1414 HydrophobicContact CB-CD 4.28Å; D1411-K1414 HydrophobicContact CB-CG 4.4Å; D1411-K1414 PolarHBondContact O-N 2.74Å; D1411-K1414 PolarHBondContact OD1-N 2.85Å; D1411-K1414 VanDerWaalsContact OD2-CD 3.29Å; D1411-K1414 WeakPolarHBondContact OD2-CD 3.32Å; D1411-K1414 WeakPolarHBondContact OD2-CE 3.43Å; D1411-K1414 WeakPolarHBondContact OD2-CG 3.41Å; K1414-V1416 PolarHBondContact O-N 3.36Å; K1414-Q1417 WeakPolarHBondContact O-CB 3.36Å; K1414-Q1417 PolarHBondContact O-N 2.9Å; K1414-Q1418 VanDerWaalsContact C-OE1 3.23Å; K1414-Q1418 PolarHBondContact O-N 3.44Å; K1414-Q1418 PolarHBondContact O-OE1 3.47Å; K1414-Q1418 VanDerWaalsContact O-OE1 3.12Å; K1414-E1438 IonicContact NZ-OE1 2.7Å; K1414-E1438 PolarHBondContact NZ-OE1 3.49Å
1415T77.2Confident74.9Confident0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-59.3-42.6-177.653.80000112.8A1405 H1408 D1411 L1412 Q1417 Q1418 V1419A1405-T1415 HydrophobicContact CB-CG2 4.32Å; H1408-T1415 HydrophobicContact CB-CG2 3.57Å; D1411-T1415 WeakPolarHBondContact O-CG2 3.41Å; D1411-T1415 PolarHBondContact O-N 3.4Å; D1411-T1415 VanDerWaalsContact O-N 3.09Å; D1411-T1415 PolarHBondContact O-OG1 3.25Å; L1412-T1415 VanDerWaalsContact CA-OG1 3.24Å; L1412-T1415 WeakPolarHBondContact CA-OG1 3.41Å; L1412-T1415 PolarHBondContact O-OG1 3.48Å; T1415-Q1417 VanDerWaalsContact C-N 3.3Å; T1415-Q1417 PolarHBondContact O-N 3.2Å; T1415-Q1418 PolarHBondContact O-N 2.97Å; T1415-V1419 VanDerWaalsContact O-CB 3.31Å; T1415-V1419 WeakPolarHBondContact O-CB 3.41Å; T1415-V1419 WeakPolarHBondContact O-CG2 3.46Å; T1415-V1419 PolarHBondContact O-N 2.95Å
1416V78.8Confident74.5Confident21 Ų2163.6 Ų63.613%0.12733%0.325CS..Hα-helixtrans-65.6-32.9177.1169.90000111.9L1412 A1413 K1414 K1420 F1469L1412-V1416 WeakPolarHBondContact O-CG2 3.29Å; A1413-V1416 PolarHBondContact O-N 3.35Å; K1414-V1416 PolarHBondContact O-N 3.36Å; V1416-K1420 WeakPolarHBondContact O-CB 3.28Å; V1416-K1420 VanDerWaalsContact O-CG 3.3Å; V1416-K1420 WeakPolarHBondContact O-CG 3.26Å; V1416-K1420 PolarHBondContact O-N 3.42Å; V1416-F1469 HydrophobicContact CG2-CB 3.8Å; V1416-F1469 HydrophobicContact CG2-CD2 4Å; V1416-F1469 HydrophobicContact CG2-CG 4.42Å
1417Q76.7Confident74.3Confident143 Ų14367.2 Ų67.267%0.66834%0.343SS*.Hα-helixtrans-71.8-45.6173.7-68.2178.8-12.900111.7A1413 K1414 T1415 K1420 K1421A1413-Q1417 PolarHBondContact O-N 3.21Å; K1414-Q1417 WeakPolarHBondContact O-CB 3.36Å; K1414-Q1417 PolarHBondContact O-N 2.9Å; T1415-Q1417 VanDerWaalsContact C-N 3.3Å; T1415-Q1417 PolarHBondContact O-N 3.2Å; Q1417-K1420 PolarHBondContact O-N 2.83Å; Q1417-K1421 PolarHBondContact O-N 3.03Å
1418Q77.6Confident74Confident19 Ų1968.9 Ų68.99%0.08935%0.35CS..Hα-helixtrans-66.7-40.6179.2-75.9158.2-51.200112.6H1408 K1414 T1415 K1420 K1421 G1422 S1437H1408-Q1418 PolarHBondContact CE1-NE2 2.89Å; H1408-Q1418 PolarHBondContact CE1-OE1 2.85Å; H1408-Q1418 PolarHBondContact NE2-NE2 3.31Å; H1408-Q1418 PolarHBondContact NE2-OE1 3.37Å; H1408-Q1418 VanDerWaalsContact NE2-OE1 3.16Å; K1414-Q1418 VanDerWaalsContact C-OE1 3.23Å; K1414-Q1418 PolarHBondContact O-N 3.44Å; K1414-Q1418 PolarHBondContact O-OE1 3.47Å; K1414-Q1418 VanDerWaalsContact O-OE1 3.12Å; T1415-Q1418 PolarHBondContact O-N 2.97Å; Q1418-K1420 PolarHBondContact O-N 3.49Å; Q1418-K1421 WeakPolarHBondContact O-CB 3.36Å; Q1418-K1421 PolarHBondContact O-N 3.49Å; Q1418-K1421 VanDerWaalsContact O-N 3.13Å; Q1418-G1422 PolarHBondContact O-N 3.49Å; Q1418-S1437 PolarHBondContact NE2-O 3.29Å
1419V78.8Confident73.8Confident4 Ų473.1 Ų73.12%0.02437%0.374CS..Hα-helixtrans-63.1-41.3173.7169.70000111.1L1396 I1401 T1415 K1421 G1422 D1423L1396-V1419 HydrophobicContact CD2-CG2 4.41Å; I1401-V1419 HydrophobicContact CD1-CG1 4.19Å; I1401-V1419 HydrophobicContact CG1-CG1 4.09Å; I1401-V1419 HydrophobicContact CG1-CG2 4.33Å; I1401-V1419 HydrophobicContact CG2-CG2 4.42Å; T1415-V1419 VanDerWaalsContact O-CB 3.31Å; T1415-V1419 WeakPolarHBondContact O-CB 3.41Å; T1415-V1419 WeakPolarHBondContact O-CG2 3.46Å; T1415-V1419 PolarHBondContact O-N 2.95Å; V1419-K1421 VanDerWaalsContact C-N 3.27Å; V1419-K1421 PolarHBondContact O-N 3.44Å; V1419-G1422 PolarHBondContact O-N 2.88Å; V1419-D1423 WeakPolarHBondContact O-CB 3.38Å; V1419-D1423 PolarHBondContact O-N 3.17Å
1420K78.2Confident73.9Confident140 Ų14071.2 Ų71.261%0.60937%0.367SS*.Hα-helixtrans-61.9-33.7173.1-81.6178.9176.4-1740112.8V1416 Q1417 Q1418V1416-K1420 WeakPolarHBondContact O-CB 3.28Å; V1416-K1420 VanDerWaalsContact O-CG 3.3Å; V1416-K1420 WeakPolarHBondContact O-CG 3.26Å; V1416-K1420 PolarHBondContact O-N 3.42Å; Q1417-K1420 PolarHBondContact O-N 2.83Å; Q1418-K1420 PolarHBondContact O-N 3.49Å
1421K79.3Confident74.1Confident133 Ų13368 Ų6858%0.57835%0.348SS*.Hα-helixtrans-71.6-45.3174.7-165.7178.9-179.5-174.70110.8Q1417 Q1418 V1419 D1423 T1424 I1434Q1417-K1421 PolarHBondContact O-N 3.03Å; Q1418-K1421 WeakPolarHBondContact O-CB 3.36Å; Q1418-K1421 PolarHBondContact O-N 3.49Å; Q1418-K1421 VanDerWaalsContact O-N 3.13Å; V1419-K1421 VanDerWaalsContact C-N 3.27Å; V1419-K1421 PolarHBondContact O-N 3.44Å; K1421-D1423 PolarHBondContact O-N 3.43Å; K1421-T1424 PolarHBondContact O-N 3.12Å; K1421-T1424 PolarHBondContact O-OG1 2.92Å; K1421-I1434 HydrophobicContact CD-CG2 4.09Å; K1421-I1434 HydrophobicContact CG-CG2 4.2Å
1422G72.7Confident74.1Confident0 Ų065.6 Ų65.60%034%0.336CS..Hα-helixtrans-59.1-43.7175.900000113.3Q1418 V1419 T1424 I1425 R1431Q1418-G1422 PolarHBondContact O-N 3.49Å; V1419-G1422 PolarHBondContact O-N 2.88Å; G1422-T1424 PolarHBondContact O-N 3.2Å; G1422-I1425 PolarHBondContact O-N 3.14Å; G1422-R1431 VanDerWaalsContact O-CG 3.31Å; G1422-R1431 WeakPolarHBondContact O-CG 3.32Å
1423D73Confident73.9Confident39 Ų3968.3 Ų68.321%0.20935%0.351CS..THydrogen-bonded Turntrans-57.3-12.8177.2-82-21000114.5L1396 V1419 K1421 K1472L1396-D1423 WeakPolarHBondContact CD1-OD1 3.45Å; L1396-D1423 PolarHBondContact N-OD1 2.9Å; V1419-D1423 WeakPolarHBondContact O-CB 3.38Å; V1419-D1423 PolarHBondContact O-N 3.17Å; K1421-D1423 PolarHBondContact O-N 3.43Å; D1423-K1472 VanDerWaalsContact OD2-CE 3.3Å; D1423-K1472 WeakPolarHBondContact OD2-CE 3.43Å; D1423-K1472 IonicContact OD2-NZ 2.95Å; D1423-K1472 PolarHBondContact OD2-NZ 2.95Å
1424T74.2Confident74.1Confident113 Ų11368.4 Ų68.469%0.69335%0.345SS*.THydrogen-bonded Turntrans-88.6-8.6175.866.10000114.2K1421 G1422K1421-T1424 PolarHBondContact O-N 3.12Å; K1421-T1424 PolarHBondContact O-OG1 2.92Å; G1422-T1424 PolarHBondContact O-N 3.2Å
1425I74.7Confident74Confident41 Ų4164.5 Ų64.521%0.2133%0.328CS..  trans-103.8133.7-169.6-56179.2000110G1422 S1430 R1431 I1434G1422-I1425 PolarHBondContact O-N 3.14Å; I1425-S1430 VanDerWaalsContact CG2-OG 3.26Å; I1425-S1430 WeakPolarHBondContact CG2-OG 3.25Å; I1425-R1431 HydrophobicContact CB-CB 4.32Å; I1425-I1434 HydrophobicContact CD1-CB 4.36Å; I1425-I1434 HydrophobicContact CD1-CD1 3.35Å; I1425-I1434 HydrophobicContact CD1-CG1 4.42Å; I1425-I1434 HydrophobicContact CD1-CG2 4.3Å
1426K68.3Low73.7Confident198 Ų19865 Ų6586%0.86133%0.331SS*.SBendtrans-77.2-41.1-177.2-69-175176.5-178.10113.3
1427D71.3Confident73.2Confident109 Ų10966 Ų6658%0.58334%0.339SS*.SBendtrans-74.3126.9-176.7-55.6-32.6000110.4D1429 S1430 R1431D1427-D1429 PolarHBondContact O-N 3.19Å; D1427-S1430 PolarHBondContact O-OG 3.33Å; D1427-R1431 WeakPolarHBondContact O-CB 3.2Å; D1427-R1431 PolarHBondContact O-N 2.97Å
1428P66.1Low72.4Confident76 Ų7664.6 Ų64.649%0.49433%0.332SS..Hα-helixtrans-65.4-39.3-172.224.8-33.7000112.8R1431 A1432P1428-R1431 WeakPolarHBondContact O-CB 3.41Å; P1428-R1431 PolarHBondContact O-N 2.85Å; P1428-A1432 WeakPolarHBondContact O-CB 3.48Å; P1428-A1432 PolarHBondContact O-N 2.97Å
1429D67.6Low71.1Confident113 Ų11368.9 Ų68.960%0.60436%0.362SS*.Hα-helixtrans-67.6-44.8-176.5-60-6000111.6D1427 A1432 L1433D1427-D1429 PolarHBondContact O-N 3.19Å; D1429-A1432 PolarHBondContact O-N 3.23Å; D1429-L1433 WeakPolarHBondContact O-CB 3.27Å; D1429-L1433 PolarHBondContact O-N 3.08Å
1430S73.5Confident69.4Low36 Ų3678 Ų7825%0.25240%0.404SS..Hα-helixtrans-73.6-33.2178.568.60000111.7I1425 D1427 L1433 I1434I1425-S1430 VanDerWaalsContact CG2-OG 3.26Å; I1425-S1430 WeakPolarHBondContact CG2-OG 3.25Å; D1427-S1430 PolarHBondContact O-OG 3.33Å; S1430-L1433 PolarHBondContact O-N 2.87Å; S1430-I1434 WeakPolarHBondContact O-CB 3.19Å; S1430-I1434 WeakPolarHBondContact O-CG1 3.43Å; S1430-I1434 PolarHBondContact O-N 2.85Å
1431R75.7Confident67.5Low26 Ų2676 Ų7610%0.09841%0.413CS..Hα-helixtrans-58-45.6169.1173.7168.886.6-163.37.8112.1D1394 R1395 L1396 G1422 I1425 D1427 P1428 A1435D1394-R1431 VanDerWaalsContact C-NH1 3.33Å; D1394-R1431 PolarHBondContact O-NH1 2.97Å; R1395-R1431 PolarHBondContact O-NH2 3.21Å; L1396-R1431 HydrophobicContact CD1-CG 3.56Å; L1396-R1431 HydrophobicContact CG-CG 4.09Å; G1422-R1431 VanDerWaalsContact O-CG 3.31Å; G1422-R1431 WeakPolarHBondContact O-CG 3.32Å; I1425-R1431 HydrophobicContact CB-CB 4.32Å; D1427-R1431 WeakPolarHBondContact O-CB 3.2Å; D1427-R1431 PolarHBondContact O-N 2.97Å; P1428-R1431 WeakPolarHBondContact O-CB 3.41Å; P1428-R1431 PolarHBondContact O-N 2.85Å; R1431-A1435 PolarHBondContact O-N 3.45Å
1432A72.1Confident65.3Low11 Ų1181.4 Ų81.49%0.09143%0.43CS..Hα-helixtrans-68.5-45.4176.400000111.9P1428 D1429 I1434 A1435 V1436 P1990P1428-A1432 WeakPolarHBondContact O-CB 3.48Å; P1428-A1432 PolarHBondContact O-N 2.97Å; D1429-A1432 PolarHBondContact O-N 3.23Å; A1432-I1434 PolarHBondContact O-N 2.95Å; A1432-A1435 PolarHBondContact O-N 3.32Å; A1432-V1436 WeakPolarHBondContact O-CG2 3.33Å; A1432-V1436 PolarHBondContact O-N 2.79Å; A1432-P1990 HydrophobicContact CB-CG 4.25Å
1433L73.3Confident63.5Low85 Ų8590.7 Ų90.745%0.44547%0.471SS..Hα-helixtrans-58.2-47.4179-169.577.7000112.1D1429 S1430 A1435 V1436 S1437 P1990D1429-L1433 WeakPolarHBondContact O-CB 3.27Å; D1429-L1433 PolarHBondContact O-N 3.08Å; S1430-L1433 PolarHBondContact O-N 2.87Å; L1433-A1435 VanDerWaalsContact C-N 3.29Å; L1433-A1435 PolarHBondContact O-N 3.33Å; L1433-V1436 PolarHBondContact O-N 3.04Å; L1433-S1437 PolarHBondContact O-N 2.95Å; L1433-S1437 PolarHBondContact O-OG 3.15Å; L1433-P1990 HydrophobicContact CB-CG 4.5Å; L1433-P1990 HydrophobicContact CD1-CB 4.11Å; L1433-P1990 HydrophobicContact CD1-CG 4.29Å
1434I73.7Confident61.6Low47 Ų4795.2 Ų95.224%0.24150%0.502CS..Hα-helixtrans-70.4-25.2-177.1-73.4165.1000112.4K1421 I1425 S1430 A1432 V1436 S1437K1421-I1434 HydrophobicContact CD-CG2 4.09Å; K1421-I1434 HydrophobicContact CG-CG2 4.2Å; I1425-I1434 HydrophobicContact CD1-CB 4.36Å; I1425-I1434 HydrophobicContact CD1-CD1 3.35Å; I1425-I1434 HydrophobicContact CD1-CG1 4.42Å; I1425-I1434 HydrophobicContact CD1-CG2 4.3Å; S1430-I1434 WeakPolarHBondContact O-CB 3.19Å; S1430-I1434 WeakPolarHBondContact O-CG1 3.43Å; S1430-I1434 PolarHBondContact O-N 2.85Å; A1432-I1434 PolarHBondContact O-N 2.95Å; I1434-V1436 PolarHBondContact O-N 3.22Å; I1434-S1437 WeakPolarHBondContact CA-OG 3.42Å
1435A70.7Confident59.6Low1 Ų194 Ų941%0.00851%0.512CS..Hα-helixtrans-68.8-23.6170.900000112.8L1396 A1404 H1408 R1431 A1432 L1433L1396-A1435 HydrophobicContact CD2-CB 3.65Å; A1404-A1435 HydrophobicContact CB-CB 4.33Å; H1408-A1435 PolarHBondContact NE2-O 3.43Å; R1431-A1435 PolarHBondContact O-N 3.45Å; A1432-A1435 PolarHBondContact O-N 3.32Å; L1433-A1435 VanDerWaalsContact C-N 3.29Å; L1433-A1435 PolarHBondContact O-N 3.33Å
1436V71.2Confident57.6Low10 Ų1095.5 Ų95.56%0.06154%0.538CS..Hα-helixtrans-104.6-25.1-175.2-176.30000112.9Y1403 A1404 A1407 H1408 A1432 L1433 I1434 P1992Y1403-V1436 HydrophobicContact CD1-CG2 4.24Å; Y1403-V1436 HydrophobicContact CE1-CG2 4.23Å; A1404-V1436 HydrophobicContact CB-CG2 4.34Å; A1407-V1436 HydrophobicContact CB-CG1 3.89Å; H1408-V1436 PolarHBondContact CE1-O 3.06Å; H1408-V1436 PolarHBondContact NE2-O 3.09Å; A1432-V1436 WeakPolarHBondContact O-CG2 3.33Å; A1432-V1436 PolarHBondContact O-N 2.79Å; L1433-V1436 PolarHBondContact O-N 3.04Å; I1434-V1436 PolarHBondContact O-N 3.22Å; V1436-P1992 HydrophobicContact CG1-CG 3.94Å
1437S68.9Low55.9Low43 Ų4393.1 Ų93.130%0.30154%0.54SS..SBendtrans-78.9136.5179.362.60000114.1Q1418 L1433 I1434Q1418-S1437 PolarHBondContact NE2-O 3.29Å; L1433-S1437 PolarHBondContact O-N 2.95Å; L1433-S1437 PolarHBondContact O-OG 3.15Å; I1434-S1437 WeakPolarHBondContact CA-OG 3.42Å
1438E59Low53.9Low113 Ų11396.8 Ų96.853%0.52855%0.554SS.*PPolyproline II helixtrans-69150.9166-70.6-159.5126.300111.9K1414K1414-E1438 IonicContact NZ-OE1 2.7Å; K1414-E1438 PolarHBondContact NZ-OE1 3.49Å
1439P50.7Low52.2Low109 Ų109102.6 Ų102.671%0.70857%0.574SS**PPolyproline II helixtrans-71.3136.5177.829.4-34.4000112.1A1441P1439-A1441 PolarHBondContact O-N 3.14Å
1440E44.2Very low50.4Low194 Ų194103.1 Ų103.191%0.90758%0.582SS**PPolyproline II helixtrans-58.7134.9175.9-62.9-175.1145.300112R1442E1440-R1442 PolarHBondContact O-N 3.26Å
1441A37.8Very low48.3Very low98 Ų98108.4 Ų108.481%0.8161%0.607SS**PPolyproline II helixtrans-65.8129.9177.400000111.2P1439 K1443P1439-A1441 PolarHBondContact O-N 3.14Å; A1441-K1443 PolarHBondContact O-N 3.49Å
1442R33.2Very low46Very low248 Ų248110.4 Ų110.494%0.93664%0.636SS**PPolyproline II helixtrans-54.3132.2179.5-82.4177165.6165.5-7.2111.8E1440E1440-R1442 PolarHBondContact O-N 3.26Å
1443K34.3Very low44Very low194 Ų194118 Ų11884%0.84368%0.675SS**PPolyproline II helixtrans-66.6148.5162.7-70.1179.2178.31760110.2A1441A1441-K1443 PolarHBondContact O-N 3.49Å
1444P33.1Very low42.1Very low135 Ų135122.8 Ų122.888%0.87770%0.695SS**SBendtrans-82.7146.2-17733.2-35.1000112.9
1445G31.3Very low40.2Very low86 Ų86128 Ų12889%0.88772%0.723SS**  trans123.6114.1166.800000114.5
1446G32.8Very low38.6Very low74 Ų74137.4 Ų137.476%0.76377%0.767SS**SBendtrans141.269.3170.500000115.9
1447T33Very low37.1Very low148 Ų148143.9 Ų143.991%0.90880%0.801SS**  trans45.3131.1154.5-17.30000121
1448E30.1Very low35.8Very low185 Ų185146.9 Ų146.986%0.86481%0.814SS**  trans-93.8135.9-167.4-56.7166.5143.400113.6
1449E31Very low34.9Very low198 Ų198150.1 Ų150.193%0.92583%0.826SS**  trans-128.7147.3142.5-79.7-162.3156.800109.1
1450T29.8Very low34.4Very low125 Ų125151.7 Ų151.777%0.76783%0.829SS**  trans-91.5127.4-156.230.30000114.9
1451D29.6Very low34.9Very low147 Ų147144.6 Ų144.679%0.78680%0.801SS**  trans-150.9115.2144.8-88.8-32.6000108.2R759R759-D1451 IonicContact NH2-OD1 3.87Å; R759-D1451 PolarHBondContact NH2-OD1 3.27Å
1452G26Very low35.8Very low67 Ų67146.4 Ų146.469%0.69179%0.79SS**  trans-146.6119.617500000110.2
1453D30Very low37.3Very low171 Ų171140 Ų14091%0.91478%0.778SS**  trans168.875.3160.9-92.1-18.7000109.5
1454E32.9Very low39Very low186 Ų186136.1 Ų136.187%0.86976%0.763SS**  trans-130.5-3.6175.8-73.4-156.9153.700116.2E1456E1454-E1456 PolarHBondContact O-N 3.45Å
1455D35.6Very low40.6Very low157 Ų157130.5 Ų130.584%0.8473%0.727SS**THydrogen-bonded Turntrans-84.5-3-164.1-83.7-45.1000117.9
1456E36.8Very low42.5Very low198 Ų198129 Ų12993%0.92570%0.701SS**THydrogen-bonded Turntrans-98.2-14.5-179.5-75.9-142.9132.400116.4E1454 N1458E1454-E1456 PolarHBondContact O-N 3.45Å; E1456-N1458 VanDerWaalsContact C-N 3.26Å; E1456-N1458 PolarHBondContact O-N 2.9Å
1457D38.7Very low44.4Very low145 Ų145128.1 Ų128.178%0.77569%0.686SS**  trans-849.9-173.2-89.8-17.8000115K1459D1457-K1459 PolarHBondContact O-N 3.44Å
1458N42.1Very low46.6Very low106 Ų106125.8 Ų125.857%0.56766%0.663SS**THydrogen-bonded Turntrans-77.130.5-162.4-148-8.2000116.5E1456 S1461E1456-N1458 VanDerWaalsContact C-N 3.26Å; E1456-N1458 PolarHBondContact O-N 2.9Å; N1458-S1461 PolarHBondContact OD1-OG 2.93Å
1459K39.4Very low49Very low181 Ų181118 Ų11879%0.78763%0.627SS**THydrogen-bonded Turntrans-119.6-35.1173.9-75.3-173.8177.2176.80114.1D1457 S1461D1457-K1459 PolarHBondContact O-N 3.44Å; K1459-S1461 VanDerWaalsContact C-N 3.33Å
1460D40.4Very low51.2Low143 Ų143112.2 Ų112.277%0.76560%0.601SS**THydrogen-bonded Turntrans-80.6-22.3177.3-67.9-4.6000110.8K1462D1460-K1462 VanDerWaalsContact C-N 3.26Å; D1460-K1462 PolarHBondContact O-N 3.06Å
1461S56Low53.7Low45 Ų45113 Ų11332%0.31560%0.596SS.*Hα-helixtrans-57.1-3017462.70000114.6N1458 K1459 E1464 S1465N1458-S1461 PolarHBondContact OD1-OG 2.93Å; K1459-S1461 VanDerWaalsContact C-N 3.33Å; S1461-E1464 PolarHBondContact O-N 3.35Å; S1461-S1465 PolarHBondContact O-N 3.18Å; S1461-S1465 PolarHBondContact O-OG 3.36Å
1462K56.9Low56.1Low136 Ų136108.7 Ų108.759%0.59157%0.57SS**Hα-helixtrans-69.4-35.2-173.3-68.8-164.7176-165.10113.9D1460 S1465 T1466D1460-K1462 VanDerWaalsContact C-N 3.26Å; D1460-K1462 PolarHBondContact O-N 3.06Å; K1462-S1465 PolarHBondContact O-OG 3.26Å; K1462-S1465 VanDerWaalsContact O-OG 3.13Å; K1462-T1466 WeakPolarHBondContact O-CB 3.29Å; K1462-T1466 PolarHBondContact O-N 3.27Å; K1462-T1466 PolarHBondContact O-OG1 3.47Å
1463V63.7Low58.7Low112 Ų112108.6 Ų108.668%0.67955%0.553SS**Hα-helixtrans-72.1-38.8177.6-178.80000109.9T1466 A1467V1463-T1466 PolarHBondContact O-N 2.92Å; V1463-A1467 WeakPolarHBondContact O-CB 3.01Å; V1463-A1467 PolarHBondContact O-N 2.95Å
1464E70.6Confident61.1Low114 Ų114104.6 Ų104.653%0.53353%0.53SS..Hα-helixtrans-69.3-40.1177-167.7179.4162.500112.4S1461 A1467 K1468S1461-E1464 PolarHBondContact O-N 3.35Å; E1464-A1467 PolarHBondContact O-N 2.88Å; E1464-K1468 HydrophobicContact CG-CD 4.27Å; E1464-K1468 WeakPolarHBondContact O-CB 3.32Å; E1464-K1468 VanDerWaalsContact O-CG 3.32Å; E1464-K1468 WeakPolarHBondContact O-CG 3.38Å; E1464-K1468 PolarHBondContact O-N 2.7Å; E1464-K1468 WeakPolarHBondContact OE1-CE 3.49Å; E1464-K1468 IonicContact OE1-NZ 3.26Å; E1464-K1468 PolarHBondContact OE1-NZ 3.33Å
1465S65.8Low63.4Low17 Ų1797.3 Ų97.312%0.11950%0.502CS..Hα-helixtrans-66.4-38.4173.667.80000112S1461 K1462 K1468 F1469S1461-S1465 PolarHBondContact O-N 3.18Å; S1461-S1465 PolarHBondContact O-OG 3.36Å; K1462-S1465 PolarHBondContact O-OG 3.26Å; K1462-S1465 VanDerWaalsContact O-OG 3.13Å; S1465-K1468 PolarHBondContact O-N 2.67Å; S1465-F1469 WeakPolarHBondContact O-CB 3.41Å; S1465-F1469 PolarHBondContact O-N 2.96Å
1466T71.5Confident65.5Low54 Ų5490 Ų9033%0.33146%0.463SS..Hα-helixtrans-60.1-48.1171.9-540000111.5L1412 K1462 V1463 K1468 F1469 I1470L1412-T1466 HydrophobicContact CD1-CG2 3.87Å; L1412-T1466 WeakPolarHBondContact CD1-OG1 3.33Å; K1462-T1466 WeakPolarHBondContact O-CB 3.29Å; K1462-T1466 PolarHBondContact O-N 3.27Å; K1462-T1466 PolarHBondContact O-OG1 3.47Å; V1463-T1466 PolarHBondContact O-N 2.92Å; T1466-K1468 PolarHBondContact O-N 2.94Å; T1466-F1469 PolarHBondContact O-N 3.32Å; T1466-I1470 HydrophobicContact CG2-CD1 3.87Å; T1466-I1470 WeakPolarHBondContact O-CG1 3.29Å; T1466-I1470 PolarHBondContact O-N 3.22Å
1467A73.9Confident67.6Low55 Ų5582.7 Ų82.746%0.45544%0.437SS..Hα-helixtrans-62.6-42.6178.300000112.2V1463 E1464 I1470 Q1471V1463-A1467 WeakPolarHBondContact O-CB 3.01Å; V1463-A1467 PolarHBondContact O-N 2.95Å; E1464-A1467 PolarHBondContact O-N 2.88Å; A1467-I1470 PolarHBondContact O-N 3.12Å; A1467-Q1471 VanDerWaalsContact O-CB 3.26Å; A1467-Q1471 WeakPolarHBondContact O-CB 3.04Å; A1467-Q1471 PolarHBondContact O-N 2.87Å
1468K78.1Confident69.8Low99 Ų9978.4 Ų78.443%0.4341%0.414SS..Hα-helixtrans-65-39.3175.7-74.5171.9-177.2167.70112.5E1464 S1465 T1466 K1472E1464-K1468 HydrophobicContact CG-CD 4.27Å; E1464-K1468 WeakPolarHBondContact O-CB 3.32Å; E1464-K1468 VanDerWaalsContact O-CG 3.32Å; E1464-K1468 WeakPolarHBondContact O-CG 3.38Å; E1464-K1468 PolarHBondContact O-N 2.7Å; E1464-K1468 WeakPolarHBondContact OE1-CE 3.49Å; E1464-K1468 IonicContact OE1-NZ 3.26Å; E1464-K1468 PolarHBondContact OE1-NZ 3.33Å; S1465-K1468 PolarHBondContact O-N 2.67Å; T1466-K1468 PolarHBondContact O-N 2.94Å; K1468-K1472 WeakPolarHBondContact O-CB 3.3Å; K1468-K1472 PolarHBondContact O-N 3.35Å
1469F79.8Confident71.7Confident23 Ų2373.7 Ų73.710%0.10139%0.388CS..Hα-helixtrans-63.8-50.3174.9178.7-94.3000111.4I1401 A1405 L1412 V1416 S1465 T1466 Q1471 K1472 M1473I1401-F1469 HydrophobicContact CG2-CD2 4.47Å; I1401-F1469 HydrophobicContact CG2-CE2 3.58Å; I1401-F1469 HydrophobicContact CG2-CZ 3.93Å; A1405-F1469 HydrophobicContact CB-CE2 3.76Å; A1405-F1469 HydrophobicContact CB-CZ 3.61Å; L1412-F1469 HydrophobicContact CB-CB 4.28Å; L1412-F1469 HydrophobicContact CD1-CB 4.46Å; L1412-F1469 HydrophobicContact CD2-CB 4.4Å; L1412-F1469 HydrophobicContact CD2-CD1 3.98Å; L1412-F1469 HydrophobicContact CD2-CD2 4.05Å; L1412-F1469 HydrophobicContact CD2-CE1 4.26Å; L1412-F1469 HydrophobicContact CD2-CE2 4.32Å; L1412-F1469 HydrophobicContact CD2-CG 3.87Å; L1412-F1469 HydrophobicContact CD2-CZ 4.43Å; V1416-F1469 HydrophobicContact CG2-CB 3.8Å; V1416-F1469 HydrophobicContact CG2-CD2 4Å; V1416-F1469 HydrophobicContact CG2-CG 4.42Å; S1465-F1469 WeakPolarHBondContact O-CB 3.41Å; S1465-F1469 PolarHBondContact O-N 2.96Å; T1466-F1469 PolarHBondContact O-N 3.32Å; F1469-Q1471 VanDerWaalsContact C-N 3.33Å; F1469-Q1471 PolarHBondContact O-N 3.49Å; F1469-K1472 PolarHBondContact O-N 3.41Å; F1469-M1473 HydrophobicContact CE1-SD 4.44Å; F1469-M1473 WeakPolarHBondContact O-CB 3.2Å; F1469-M1473 PolarHBondContact O-N 2.88Å
1470I78.3Confident73.8Confident76 Ų7667.8 Ų67.839%0.3937%0.365SS..Hα-helixtrans-59.8-43.9176.7-68.1170.5000110.7T1466 A1467 K1472 M1473 I1474T1466-I1470 HydrophobicContact CG2-CD1 3.87Å; T1466-I1470 WeakPolarHBondContact O-CG1 3.29Å; T1466-I1470 PolarHBondContact O-N 3.22Å; A1467-I1470 PolarHBondContact O-N 3.12Å; I1470-K1472 VanDerWaalsContact C-N 3.35Å; I1470-K1472 PolarHBondContact O-N 3.47Å; I1470-M1473 PolarHBondContact O-N 3.49Å; I1470-I1474 HydrophobicContact CG2-CD1 3.66Å; I1470-I1474 HydrophobicContact CG2-CG1 4.31Å; I1470-I1474 WeakPolarHBondContact O-CB 3.49Å; I1470-I1474 WeakPolarHBondContact O-CG1 3.24Å; I1470-I1474 PolarHBondContact O-N 3.34Å
1471Q81.2Confident75.8Confident142 Ų14263.5 Ų63.566%0.66435%0.346SS*.Hα-helixtrans-60.1-42.4176.3-174.5-177.1400112A1467 F1469 A1475A1467-Q1471 VanDerWaalsContact O-CB 3.26Å; A1467-Q1471 WeakPolarHBondContact O-CB 3.04Å; A1467-Q1471 PolarHBondContact O-N 2.87Å; F1469-Q1471 VanDerWaalsContact C-N 3.33Å; F1469-Q1471 PolarHBondContact O-N 3.49Å; Q1471-A1475 VanDerWaalsContact O-CB 3.27Å; Q1471-A1475 WeakPolarHBondContact O-CB 3.12Å; Q1471-A1475 PolarHBondContact O-N 3.43Å
1472K80.9Confident77.2Confident55 Ų5561.3 Ų61.324%0.23933%0.331CS..Hα-helixtrans-68.7-39.1177.3179.360.8174.5175.80112.1D1423 K1468 F1469 I1470 A1475 S1476D1423-K1472 VanDerWaalsContact OD2-CE 3.3Å; D1423-K1472 WeakPolarHBondContact OD2-CE 3.43Å; D1423-K1472 IonicContact OD2-NZ 2.95Å; D1423-K1472 PolarHBondContact OD2-NZ 2.95Å; K1468-K1472 WeakPolarHBondContact O-CB 3.3Å; K1468-K1472 PolarHBondContact O-N 3.35Å; F1469-K1472 PolarHBondContact O-N 3.41Å; I1470-K1472 VanDerWaalsContact C-N 3.35Å; I1470-K1472 PolarHBondContact O-N 3.47Å; K1472-A1475 PolarHBondContact O-N 2.99Å; K1472-S1476 WeakPolarHBondContact O-CB 3.41Å; K1472-S1476 PolarHBondContact O-N 3.32Å
1473M80.4Confident78.3Confident66 Ų6656 Ų5633%0.32531%0.31SS..Hα-helixtrans-64.5-46.8175.5-173.4-175.471.400111.6F1469 I1470 S1476 A1477F1469-M1473 HydrophobicContact CE1-SD 4.44Å; F1469-M1473 WeakPolarHBondContact O-CB 3.2Å; F1469-M1473 PolarHBondContact O-N 2.88Å; I1470-M1473 PolarHBondContact O-N 3.49Å; M1473-S1476 PolarHBondContact O-N 2.91Å; M1473-A1477 PolarHBondContact O-N 3.31Å
1474I81.1Confident79Confident86 Ų8654.2 Ų54.244%0.44130%0.299SS..Hα-helixtrans-63.3-43.7175.6-68.2171.1000110.5I1470 S1476 A1477 L1478I1470-I1474 HydrophobicContact CG2-CD1 3.66Å; I1470-I1474 HydrophobicContact CG2-CG1 4.31Å; I1470-I1474 WeakPolarHBondContact O-CB 3.49Å; I1470-I1474 WeakPolarHBondContact O-CG1 3.24Å; I1470-I1474 PolarHBondContact O-N 3.34Å; I1474-S1476 VanDerWaalsContact C-N 3.33Å; I1474-S1476 PolarHBondContact O-N 2.99Å; I1474-A1477 PolarHBondContact O-N 2.84Å; I1474-L1478 HydrophobicContact CG2-CD1 3.71Å; I1474-L1478 HydrophobicContact CG2-CG 4.1Å; I1474-L1478 WeakPolarHBondContact O-CB 3.46Å; I1474-L1478 VanDerWaalsContact O-CG 3.24Å; I1474-L1478 WeakPolarHBondContact O-CG 3.47Å; I1474-L1478 PolarHBondContact O-N 2.91Å
1475A80.6Confident79.7Confident33 Ų3350.6 Ų50.627%0.27328%0.283SS..Hα-helixtrans-61.8-39.6176.300000112.6Q1471 K1472 D1479Q1471-A1475 VanDerWaalsContact O-CB 3.27Å; Q1471-A1475 WeakPolarHBondContact O-CB 3.12Å; Q1471-A1475 PolarHBondContact O-N 3.43Å; K1472-A1475 PolarHBondContact O-N 2.99Å; A1475-D1479 WeakPolarHBondContact O-CB 3.34Å; A1475-D1479 PolarHBondContact O-N 3.49Å
1476S79.3Confident80.5Confident4 Ų450.1 Ų50.13%0.02828%0.279CS..Hα-helixtrans-62.8-47.4174.5-174.90000111.4Y1393 L1396 K1472 M1473 I1474 D1479 L1480Y1393-S1476 WeakPolarHBondContact OH-CA 3.05Å; Y1393-S1476 WeakPolarHBondContact OH-CB 3.48Å; Y1393-S1476 PolarHBondContact OH-O 2.98Å; Y1393-S1476 PolarHBondContact OH-OG 3.42Å; L1396-S1476 PolarHBondContact O-OG 3.5Å; L1396-S1476 VanDerWaalsContact O-OG 3.07Å; K1472-S1476 WeakPolarHBondContact O-CB 3.41Å; K1472-S1476 PolarHBondContact O-N 3.32Å; M1473-S1476 PolarHBondContact O-N 2.91Å; I1474-S1476 VanDerWaalsContact C-N 3.33Å; I1474-S1476 PolarHBondContact O-N 2.99Å; S1476-D1479 PolarHBondContact O-N 3.23Å; S1476-L1480 WeakPolarHBondContact O-CB 3.3Å; S1476-L1480 PolarHBondContact O-N 3.12Å
1477A81.1Confident80.7Confident44 Ų4451.5 Ų51.536%0.36428%0.28SS..Hα-helixtrans-66-39.117800000113.4P1398 M1473 I1474 C1481P1398-A1477 HydrophobicContact CG-CB 4.12Å; M1473-A1477 PolarHBondContact O-N 3.31Å; I1474-A1477 PolarHBondContact O-N 2.84Å; A1477-C1481 VanDerWaalsContact O-CB 3.29Å; A1477-C1481 WeakPolarHBondContact O-CB 3.46Å; A1477-C1481 PolarHBondContact O-N 2.97Å
1478L85Confident80.8Confident56 Ų5654.4 Ų54.429%0.29329%0.288SS..Hα-helixtrans-67.4-41.6175.3-70.4173.4000111.7I1474 S1482 L1562I1474-L1478 HydrophobicContact CG2-CD1 3.71Å; I1474-L1478 HydrophobicContact CG2-CG 4.1Å; I1474-L1478 WeakPolarHBondContact O-CB 3.46Å; I1474-L1478 VanDerWaalsContact O-CG 3.24Å; I1474-L1478 WeakPolarHBondContact O-CG 3.47Å; I1474-L1478 PolarHBondContact O-N 2.91Å; L1478-S1482 VanDerWaalsContact O-CB 3.26Å; L1478-S1482 WeakPolarHBondContact O-CB 3.4Å; L1478-S1482 PolarHBondContact O-N 3.25Å; L1478-S1482 PolarHBondContact O-OG 3.01Å; L1478-L1562 HydrophobicContact CD2-CD2 3.54Å
1479D81.6Confident81Confident6 Ų649.7 Ų49.73%0.03227%0.267CS..Hα-helixtrans-64.8-46.3175.4-84.8-14.8000110.3Y1393 R1395 A1475 S1476 C1481 S1482 V1483 S1558 R1561Y1393-D1479 HydrophobicContact CE2-CB 4.03Å; R1395-D1479 IonicContact CZ-OD2 3.79Å; R1395-D1479 IonicContact NH1-OD2 2.83Å; R1395-D1479 PolarHBondContact NH1-OD2 2.82Å; A1475-D1479 WeakPolarHBondContact O-CB 3.34Å; A1475-D1479 PolarHBondContact O-N 3.49Å; S1476-D1479 PolarHBondContact O-N 3.23Å; D1479-C1481 PolarHBondContact O-N 2.74Å; D1479-S1482 WeakPolarHBondContact CA-OG 3.5Å; D1479-S1482 PolarHBondContact O-N 3.04Å; D1479-S1482 VanDerWaalsContact O-N 3.11Å; D1479-S1482 PolarHBondContact O-OG 3.42Å; D1479-V1483 WeakPolarHBondContact O-CG2 3.29Å; D1479-V1483 PolarHBondContact O-N 3.2Å; D1479-S1558 VanDerWaalsContact CG-OG 3.29Å; D1479-S1558 WeakPolarHBondContact OD1-CA 3.32Å; D1479-S1558 WeakPolarHBondContact OD1-CB 3.35Å; D1479-S1558 PolarHBondContact OD1-OG 2.76Å; D1479-S1558 PolarHBondContact OD2-OG 3.19Å; D1479-R1561 IonicContact OD1-NH1 2.74Å; D1479-R1561 PolarHBondContact OD1-NH1 3.23Å; D1479-R1561 IonicContact OD2-NH1 2.68Å; D1479-R1561 PolarHBondContact OD2-NH1 3.46Å
1480L82.8Confident81Confident57 Ų5750.4 Ų50.430%0.29827%0.269SS..Hα-helixtrans-57-47.5175.2179.563.1000112.4Y1393 S1476 S1482 V1483 T1484Y1393-L1480 HydrophobicContact CD1-CD1 4.45Å; Y1393-L1480 HydrophobicContact CD2-CD1 4.45Å; Y1393-L1480 HydrophobicContact CE2-CB 4.33Å; Y1393-L1480 HydrophobicContact CG-CD1 4.19Å; S1476-L1480 WeakPolarHBondContact O-CB 3.3Å; S1476-L1480 PolarHBondContact O-N 3.12Å; L1480-S1482 VanDerWaalsContact C-N 3.32Å; L1480-S1482 PolarHBondContact O-N 3.48Å; L1480-V1483 PolarHBondContact O-N 3.38Å; L1480-T1484 WeakPolarHBondContact O-CG2 3.38Å; L1480-T1484 PolarHBondContact O-N 2.83Å; L1480-T1484 PolarHBondContact O-OG1 2.81Å
1481C83.6Confident81Confident53 Ų5349.9 Ų49.936%0.35827%0.265SS..Hα-helixtrans-63.3-37.4175.3-174.80000112.3A1477 D1479 T1484 L1485 L1562A1477-C1481 VanDerWaalsContact O-CB 3.29Å; A1477-C1481 WeakPolarHBondContact O-CB 3.46Å; A1477-C1481 PolarHBondContact O-N 2.97Å; D1479-C1481 PolarHBondContact O-N 2.74Å; C1481-T1484 WeakPolarHBondContact CA-OG1 3.21Å; C1481-T1484 PolarHBondContact O-OG1 3.46Å; C1481-T1484 VanDerWaalsContact O-OG1 3.09Å; C1481-L1485 WeakPolarHBondContact O-CB 3.48Å; C1481-L1485 WeakPolarHBondContact O-CG 3.35Å; C1481-L1485 PolarHBondContact O-N 3.37Å; C1481-L1562 HydrophobicContact CB-CD1 4.24Å
1482S85Confident81.1Confident0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-67.9-38176.880.70000112.1L1478 D1479 L1480 N1486 W1553L1478-S1482 VanDerWaalsContact O-CB 3.26Å; L1478-S1482 WeakPolarHBondContact O-CB 3.4Å; L1478-S1482 PolarHBondContact O-N 3.25Å; L1478-S1482 PolarHBondContact O-OG 3.01Å; D1479-S1482 WeakPolarHBondContact CA-OG 3.5Å; D1479-S1482 PolarHBondContact O-N 3.04Å; D1479-S1482 VanDerWaalsContact O-N 3.11Å; D1479-S1482 PolarHBondContact O-OG 3.42Å; L1480-S1482 VanDerWaalsContact C-N 3.32Å; L1480-S1482 PolarHBondContact O-N 3.48Å; S1482-N1486 WeakPolarHBondContact O-CB 3.41Å; S1482-N1486 PolarHBondContact O-N 2.93Å; S1482-W1553 WeakPolarHBondContact O-CZ2 3.43Å; S1482-W1553 WeakPolarHBondContact OG-CH2 3.36Å; S1482-W1553 WeakPolarHBondContact OG-CZ2 3.24Å
1483V80.7Confident81.3Confident25 Ų2543.2 Ų43.215%0.15223%0.234CC..Hα-helixtrans-67.8-46.3176.8171.80000110.7T1391 D1479 L1480 N1486 K1487 W1553T1391-V1483 WeakPolarHBondContact O-CG1 3.12Å; D1479-V1483 WeakPolarHBondContact O-CG2 3.29Å; D1479-V1483 PolarHBondContact O-N 3.2Å; L1480-V1483 PolarHBondContact O-N 3.38Å; V1483-N1486 PolarHBondContact O-N 2.84Å; V1483-K1487 WeakPolarHBondContact O-CB 3.45Å; V1483-K1487 PolarHBondContact O-N 2.96Å; V1483-W1553 HydrophobicContact CG2-CH2 3.77Å; V1483-W1553 HydrophobicContact CG2-CZ3 4.2Å
1484T77.7Confident81.5Confident73 Ų7340.2 Ų40.245%0.44822%0.219SC..Hα-helixtrans-64.7-43.3179.852.20000112.5L1480 C1481 K1487 L1488L1480-T1484 WeakPolarHBondContact O-CG2 3.38Å; L1480-T1484 PolarHBondContact O-N 2.83Å; L1480-T1484 PolarHBondContact O-OG1 2.81Å; C1481-T1484 WeakPolarHBondContact CA-OG1 3.21Å; C1481-T1484 PolarHBondContact O-OG1 3.46Å; C1481-T1484 VanDerWaalsContact O-OG1 3.09Å; T1484-K1487 PolarHBondContact O-N 2.94Å; T1484-L1488 PolarHBondContact O-N 2.88Å
1485L84.4Confident81.8Confident39 Ų3936.4 Ų36.420%0.20420%0.199CC..Hα-helixtrans-64.1-44.7172.1-74.5171.2000111.8C1481 K1487 L1488 C1489 L1562 A1565 V1566C1481-L1485 WeakPolarHBondContact O-CB 3.48Å; C1481-L1485 WeakPolarHBondContact O-CG 3.35Å; C1481-L1485 PolarHBondContact O-N 3.37Å; L1485-K1487 VanDerWaalsContact C-N 3.26Å; L1485-K1487 PolarHBondContact O-N 3.46Å; L1485-L1488 WeakPolarHBondContact O-CB 3.47Å; L1485-L1488 PolarHBondContact O-N 2.83Å; L1485-L1488 VanDerWaalsContact O-N 3.12Å; L1485-C1489 PolarHBondContact O-N 2.82Å; L1485-C1489 PolarHBondContact O-SG 3.25Å; L1485-L1562 HydrophobicContact CD1-CD1 3.73Å; L1485-A1565 HydrophobicContact CB-CB 3.84Å; L1485-V1566 HydrophobicContact CD1-CG2 3.7Å
1486N83Confident82Confident6 Ų636.2 Ų36.23%0.03220%0.201CC..Hα-helixtrans-63.1-31.3-179.2178.777.6000112.8S1482 V1483 C1489 R1493 W1553 A1565S1482-N1486 WeakPolarHBondContact O-CB 3.41Å; S1482-N1486 PolarHBondContact O-N 2.93Å; V1483-N1486 PolarHBondContact O-N 2.84Å; N1486-C1489 PolarHBondContact O-N 2.78Å; N1486-R1493 PolarHBondContact ND2-NH1 3.44Å; N1486-R1493 WeakPolarHBondContact OD1-CD 3.3Å; N1486-R1493 VanDerWaalsContact OD1-CZ 3.31Å; N1486-R1493 PolarHBondContact OD1-NE 3Å; N1486-R1493 PolarHBondContact OD1-NH1 2.84Å; N1486-W1553 HydrophobicContact CB-CH2 4.26Å; N1486-W1553 HydrophobicContact CB-CZ2 3.76Å; N1486-A1565 HydrophobicContact CB-CB 4.24Å
1487K76.2Confident82.4Confident83 Ų8337.6 Ų37.636%0.36121%0.206SC..Hα-helixtrans-63.8-43171.8179.7172169.4177.80112.4E1385 T1391 V1483 T1484 L1485 C1489E1385-K1487 WeakPolarHBondContact OE1-CE 3.31Å; E1385-K1487 IonicContact OE1-NZ 2.67Å; E1385-K1487 PolarHBondContact OE1-NZ 3.27Å; E1385-K1487 WeakPolarHBondContact OE2-CE 3.31Å; E1385-K1487 IonicContact OE2-NZ 3.7Å; E1385-K1487 PolarHBondContact OE2-NZ 2.9Å; T1391-K1487 HydrophobicContact CG2-CB 4.28Å; T1391-K1487 HydrophobicContact CG2-CG 4.38Å; V1483-K1487 WeakPolarHBondContact O-CB 3.45Å; V1483-K1487 PolarHBondContact O-N 2.96Å; T1484-K1487 PolarHBondContact O-N 2.94Å; L1485-K1487 VanDerWaalsContact C-N 3.26Å; L1485-K1487 PolarHBondContact O-N 3.46Å; K1487-C1489 PolarHBondContact O-N 3.39Å
1488L76Confident82.7Confident116 Ų11635.5 Ų35.561%0.60719%0.189SC*.Hα-helixtrans-64.7-22.1174.2-63.6172.1000113.2T1484 L1485T1484-L1488 PolarHBondContact O-N 2.88Å; L1485-L1488 WeakPolarHBondContact O-CB 3.47Å; L1485-L1488 PolarHBondContact O-N 2.83Å; L1485-L1488 VanDerWaalsContact O-N 3.12Å
1489C82.5Confident82.8Confident1 Ų133.4 Ų33.41%0.00718%0.178CC..THydrogen-bonded Turntrans-100.610.6-173.4-550000114.7L1485 N1486 K1487 E1491 H1492 R1493 N1568 C1569L1485-C1489 PolarHBondContact O-N 2.82Å; L1485-C1489 PolarHBondContact O-SG 3.25Å; N1486-C1489 PolarHBondContact O-N 2.78Å; K1487-C1489 PolarHBondContact O-N 3.39Å; C1489-E1491 PolarHBondContact O-N 2.9Å; C1489-H1492 PolarHBondContact O-N 3.5Å; C1489-R1493 WeakPolarHBondContact O-CB 3.02Å; C1489-R1493 PolarHBondContact O-N 3.21Å; C1489-N1568 HydrophobicContact CB-CB 4.03Å; C1489-C1569 WeakPolarHBondContact SG-CA 3.3Å; C1489-C1569 WeakPolarHBondContact SG-CB 3.33Å; C1489-C1569 PolarHBondContact SG-N 2.85Å
1490R79.2Confident83Confident37 Ų3735.7 Ų35.714%0.1420%0.195CC..Hα-helixtrans-50.4-56.8-167.1-174.3176.174.71532.5112.6E1310 D1387 H1492 R1493 Y1494 E1546E1310-R1490 IonicContact OE1-CZ 3.81Å; E1310-R1490 IonicContact OE1-NH2 2.81Å; E1310-R1490 PolarHBondContact OE1-NH2 3.02Å; D1387-R1490 IonicContact OD2-CZ 2.77Å; D1387-R1490 IonicContact OD2-NH1 3.63Å; D1387-R1490 PolarHBondContact OD2-NH1 3.04Å; R1490-H1492 PolarHBondContact O-N 3.11Å; R1490-R1493 PolarHBondContact O-N 2.82Å; R1490-Y1494 WeakPolarHBondContact O-CB 3.34Å; R1490-Y1494 PolarHBondContact O-N 2.88Å; R1490-E1546 IonicContact CZ-OE1 3.96Å; R1490-E1546 IonicContact NE-OE1 3.29Å; R1490-E1546 IonicContact NH1-OE1 3.69Å
1491E78.3Confident83.2Confident65 Ų6536.9 Ų36.930%0.30420%0.197SC..Hα-helixtrans-54.8-53.9-177.8-53.8176.5-156.900112.3K1303 L1306 C1489 R1493 Y1494 V1495K1303-E1491 WeakPolarHBondContact CE-OE2 3.36Å; K1303-E1491 IonicContact NZ-OE2 2.83Å; K1303-E1491 PolarHBondContact NZ-OE2 3.49Å; L1306-E1491 HydrophobicContact CD2-CB 3.92Å; L1306-E1491 HydrophobicContact CD2-CG 3.79Å; C1489-E1491 PolarHBondContact O-N 2.9Å; E1491-R1493 PolarHBondContact O-N 3.21Å; E1491-Y1494 PolarHBondContact O-N 2.91Å; E1491-V1495 WeakPolarHBondContact O-CG2 3.33Å; E1491-V1495 PolarHBondContact O-N 2.89Å
1492H84.5Confident83.5Confident26 Ų2634.4 Ų34.412%0.1218%0.181CC..Hα-helixtrans-64.6-41-175.1176.9-89.5000111.6C1489 R1490 G1496 N1568 A1572 M1686C1489-H1492 PolarHBondContact O-N 3.5Å; R1490-H1492 PolarHBondContact O-N 3.11Å; H1492-G1496 PolarHBondContact O-N 2.96Å; H1492-N1568 PolarHBondContact ND1-O 2.96Å; H1492-A1572 HydrophobicContact CB-CB 3.62Å; H1492-M1686 WeakPolarHBondContact NE2-CE 3.48Å
1493R84.4Confident83.6Confident32 Ų3235.3 Ų35.312%0.12118%0.184CC..Hα-helixtrans-64.9-44177.2-177.6-174.962.1143.77111.4N1486 C1489 R1490 E1491 F1497 V1549N1486-R1493 PolarHBondContact ND2-NH1 3.44Å; N1486-R1493 WeakPolarHBondContact OD1-CD 3.3Å; N1486-R1493 VanDerWaalsContact OD1-CZ 3.31Å; N1486-R1493 PolarHBondContact OD1-NE 3Å; N1486-R1493 PolarHBondContact OD1-NH1 2.84Å; C1489-R1493 WeakPolarHBondContact O-CB 3.02Å; C1489-R1493 PolarHBondContact O-N 3.21Å; R1490-R1493 PolarHBondContact O-N 2.82Å; E1491-R1493 PolarHBondContact O-N 3.21Å; R1493-F1497 WeakPolarHBondContact O-CB 3.43Å; R1493-F1497 PolarHBondContact O-N 3.13Å; R1493-V1549 HydrophobicContact CG-CG1 3.67Å; R1493-V1549 VanDerWaalsContact CZ-CG1 3.45Å
1494Y85.6Confident83.9Confident3 Ų337.8 Ų37.81%0.01219%0.194CC..Hα-helixtrans-59.3-57.1175.9171.2-96.9000111.2R1490 E1491 G1496 F1497 V1498 V1536 V1542 M1545 E1546R1490-Y1494 WeakPolarHBondContact O-CB 3.34Å; R1490-Y1494 PolarHBondContact O-N 2.88Å; E1491-Y1494 PolarHBondContact O-N 2.91Å; Y1494-G1496 VanDerWaalsContact C-N 3.33Å; Y1494-G1496 PolarHBondContact O-N 3.37Å; Y1494-F1497 PolarHBondContact O-N 3.34Å; Y1494-V1498 HydrophobicContact CD2-CG2 4.39Å; Y1494-V1498 HydrophobicContact CE1-CG2 4.29Å; Y1494-V1498 HydrophobicContact CE2-CG2 4.1Å; Y1494-V1498 WeakPolarHBondContact O-CG2 3.12Å; Y1494-V1498 PolarHBondContact O-N 2.94Å; Y1494-V1536 WeakPolarHBondContact OH-CG1 3.36Å; Y1494-V1536 VanDerWaalsContact OH-CG2 3.29Å; Y1494-V1536 WeakPolarHBondContact OH-CG2 3.08Å; Y1494-V1542 HydrophobicContact CE2-CG1 4.05Å; Y1494-V1542 WeakPolarHBondContact OH-CA 3.35Å; Y1494-M1545 HydrophobicContact CD2-CB 4.47Å; Y1494-M1545 HydrophobicContact CE2-CB 3.68Å; Y1494-E1546 HydrophobicContact CD2-CG 3.47Å; Y1494-E1546 VanDerWaalsContact CD2-CG 3.47Å; Y1494-E1546 HydrophobicContact CE2-CG 3.77Å; Y1494-E1546 HydrophobicContact CG-CG 4.36Å
1495V86.3Confident84.4Confident6 Ų639 Ų394%0.03619%0.193CC..Hα-helixtrans-59.1-43.9-179.9176.40000111.1L1302 E1491 F1497 L1499 L1690L1302-V1495 HydrophobicContact CB-CG2 4.03Å; L1302-V1495 HydrophobicContact CD1-CG1 4.43Å; E1491-V1495 WeakPolarHBondContact O-CG2 3.33Å; E1491-V1495 PolarHBondContact O-N 2.89Å; V1495-F1497 PolarHBondContact O-N 3.5Å; V1495-L1499 HydrophobicContact CG1-CD1 3.8Å; V1495-L1499 HydrophobicContact CG1-CG 4.32Å; V1495-L1499 WeakPolarHBondContact O-CB 3.41Å; V1495-L1499 VanDerWaalsContact O-CG 3.27Å; V1495-L1499 WeakPolarHBondContact O-CG 3.28Å; V1495-L1499 PolarHBondContact O-N 3.2Å; V1495-L1690 HydrophobicContact CG1-CD2 3.98Å
1496G85.1Confident84.5Confident29 Ų2937.1 Ų37.130%0.29918%0.184SC..Hα-helixtrans-63.1-38.317900000114H1492 Y1494 S1500H1492-G1496 PolarHBondContact O-N 2.96Å; Y1494-G1496 VanDerWaalsContact C-N 3.33Å; Y1494-G1496 PolarHBondContact O-N 3.37Å; G1496-S1500 WeakPolarHBondContact O-CB 3.37Å; G1496-S1500 PolarHBondContact O-N 3.12Å
1497F86.9Confident84.7Confident32 Ų3237.6 Ų37.614%0.1419%0.185CC..Hα-helixtrans-72-46.5177.2-179.2-94.2000112R1493 Y1494 V1495 L1499 S1500 K1501 M1545 A1548 V1549 D1552R1493-F1497 WeakPolarHBondContact O-CB 3.43Å; R1493-F1497 PolarHBondContact O-N 3.13Å; Y1494-F1497 PolarHBondContact O-N 3.34Å; V1495-F1497 PolarHBondContact O-N 3.5Å; F1497-L1499 VanDerWaalsContact C-N 3.33Å; F1497-L1499 PolarHBondContact O-N 3.31Å; F1497-S1500 PolarHBondContact O-N 2.81Å; F1497-S1500 VanDerWaalsContact O-N 3.12Å; F1497-S1500 PolarHBondContact O-OG 2.75Å; F1497-K1501 HydrophobicContact CD1-CG 4.29Å; F1497-K1501 HydrophobicContact CE1-CG 3.98Å; F1497-K1501 HydrophobicContact CZ-CG 4.17Å; F1497-K1501 PolarHBondContact O-N 3.38Å; F1497-M1545 HydrophobicContact CD1-CE 4.02Å; F1497-M1545 HydrophobicContact CE1-CE 3.96Å; F1497-A1548 HydrophobicContact CE1-CB 4.27Å; F1497-V1549 HydrophobicContact CB-CG2 3.53Å; F1497-V1549 HydrophobicContact CD1-CG2 3.3Å; F1497-V1549 HydrophobicContact CD2-CG2 4.21Å; F1497-V1549 HydrophobicContact CE1-CG2 3.97Å; F1497-V1549 HydrophobicContact CG-CG2 3.44Å; F1497-V1549 VanDerWaalsContact CG-CG2 3.44Å; F1497-D1552 HydrophobicContact CE2-CB 3.93Å; F1497-D1552 HydrophobicContact CZ-CB 4.48Å
1498V88Confident85Confident0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-56.5-50.3176.21770000109.3L1302 Y1494 S1500 K1501 E1502 L1535 V1536 M1545L1302-V1498 HydrophobicContact CD1-CB 3.94Å; L1302-V1498 HydrophobicContact CD1-CG1 3.6Å; L1302-V1498 HydrophobicContact CD2-CG1 4.21Å; Y1494-V1498 HydrophobicContact CD2-CG2 4.39Å; Y1494-V1498 HydrophobicContact CE1-CG2 4.29Å; Y1494-V1498 HydrophobicContact CE2-CG2 4.1Å; Y1494-V1498 WeakPolarHBondContact O-CG2 3.12Å; Y1494-V1498 PolarHBondContact O-N 2.94Å; V1498-S1500 VanDerWaalsContact C-N 3.33Å; V1498-S1500 PolarHBondContact O-N 3.49Å; V1498-K1501 PolarHBondContact O-N 2.85Å; V1498-K1501 VanDerWaalsContact O-N 3.13Å; V1498-E1502 HydrophobicContact CG1-CG 4.25Å; V1498-E1502 WeakPolarHBondContact O-CG 3.39Å; V1498-E1502 PolarHBondContact O-N 2.85Å; V1498-L1535 HydrophobicContact CG1-CB 4.34Å; V1498-V1536 HydrophobicContact CG1-CG2 4.12Å; V1498-V1536 HydrophobicContact CG2-CG2 4.24Å; V1498-M1545 HydrophobicContact CB-CE 4.42Å; V1498-M1545 HydrophobicContact CG2-CB 4.26Å; V1498-M1545 HydrophobicContact CG2-CE 3.77Å
1499L87Confident85.3Confident12 Ų1235 Ų356%0.06320%0.196CC..Hα-helixtrans-60.1-37.4176.7-71.8174.3000113.2R1298 V1495 F1497 K1501 E1502 K1503 L1690R1298-L1499 HydrophobicContact CB-CD2 3.96Å; R1298-L1499 HydrophobicContact CG-CD2 3.98Å; V1495-L1499 HydrophobicContact CG1-CD1 3.8Å; V1495-L1499 HydrophobicContact CG1-CG 4.32Å; V1495-L1499 WeakPolarHBondContact O-CB 3.41Å; V1495-L1499 VanDerWaalsContact O-CG 3.27Å; V1495-L1499 WeakPolarHBondContact O-CG 3.28Å; V1495-L1499 PolarHBondContact O-N 3.2Å; F1497-L1499 VanDerWaalsContact C-N 3.33Å; F1497-L1499 PolarHBondContact O-N 3.31Å; L1499-K1501 VanDerWaalsContact C-N 3.34Å; L1499-E1502 PolarHBondContact O-N 3.19Å; L1499-K1503 WeakPolarHBondContact O-CB 3.29Å; L1499-K1503 VanDerWaalsContact O-CG 3.3Å; L1499-K1503 WeakPolarHBondContact O-CG 3.45Å; L1499-K1503 PolarHBondContact O-N 3.01Å; L1499-L1690 HydrophobicContact CD1-CD2 4.3Å
1500S85.6Confident85.3Confident55 Ų5537.9 Ų37.939%0.38521%0.209SC..Hα-helixtrans-66.6-35.2176.776.10000112.5G1496 F1497 V1498 Q1504G1496-S1500 WeakPolarHBondContact O-CB 3.37Å; G1496-S1500 PolarHBondContact O-N 3.12Å; F1497-S1500 PolarHBondContact O-N 2.81Å; F1497-S1500 VanDerWaalsContact O-N 3.12Å; F1497-S1500 PolarHBondContact O-OG 2.75Å; V1498-S1500 VanDerWaalsContact C-N 3.33Å; V1498-S1500 PolarHBondContact O-N 3.49Å; S1500-Q1504 WeakPolarHBondContact O-CB 3.4Å; S1500-Q1504 PolarHBondContact O-N 3.27Å
1501K88.1Confident85.3Confident81 Ų8139.5 Ų39.535%0.35223%0.225SC..Hα-helixtrans-74.1-40.4175.7-68.1-65.6178.3-172.70111.9F1497 V1498 L1499 K1503 Q1504 K1505 L1535F1497-K1501 HydrophobicContact CD1-CG 4.29Å; F1497-K1501 HydrophobicContact CE1-CG 3.98Å; F1497-K1501 HydrophobicContact CZ-CG 4.17Å; F1497-K1501 PolarHBondContact O-N 3.38Å; V1498-K1501 PolarHBondContact O-N 2.85Å; V1498-K1501 VanDerWaalsContact O-N 3.13Å; L1499-K1501 VanDerWaalsContact C-N 3.34Å; K1501-K1503 VanDerWaalsContact C-N 3.35Å; K1501-Q1504 PolarHBondContact O-N 2.84Å; K1501-K1505 WeakPolarHBondContact O-CB 3.35Å; K1501-K1505 PolarHBondContact O-N 3.27Å; K1501-L1535 HydrophobicContact CB-CD1 3.49Å; K1501-L1535 VanDerWaalsContact CB-CD1 3.49Å
1502E88.5Confident85.3Confident2 Ų243.7 Ų43.71%0.00925%0.245CC..Hα-helixtrans-63.8-39.1173.4-64.3-177.1165.800110.9L1295 R1298 V1498 L1499 K1505 L1506 L1533 Q1534 L1535L1295-E1502 HydrophobicContact CD1-CB 4.37Å; L1295-E1502 HydrophobicContact CD2-CB 4.48Å; R1298-E1502 WeakPolarHBondContact CG-OE2 3.22Å; R1298-E1502 IonicContact CZ-OE1 2.66Å; R1298-E1502 IonicContact NE-OE1 3.09Å; R1298-E1502 PolarHBondContact NE-OE1 3.15Å; R1298-E1502 VanDerWaalsContact NE-OE1 3.12Å; R1298-E1502 IonicContact NE-OE2 3.09Å; R1298-E1502 PolarHBondContact NE-OE2 3.36Å; R1298-E1502 IonicContact NH2-OE1 3.55Å; R1298-E1502 PolarHBondContact NH2-OE1 2.83Å; V1498-E1502 HydrophobicContact CG1-CG 4.25Å; V1498-E1502 WeakPolarHBondContact O-CG 3.39Å; V1498-E1502 PolarHBondContact O-N 2.85Å; L1499-E1502 PolarHBondContact O-N 3.19Å; E1502-K1505 PolarHBondContact O-N 2.93Å; E1502-L1506 WeakPolarHBondContact O-CB 3.49Å; E1502-L1506 PolarHBondContact O-N 2.98Å; E1502-L1533 WeakPolarHBondContact CG-O 3.19Å; E1502-Q1534 WeakPolarHBondContact OE1-CA 3.28Å; E1502-L1535 HydrophobicContact CG-CB 4.5Å; E1502-L1535 HydrophobicContact CG-CD1 3.94Å; E1502-L1535 HydrophobicContact CG-CG 4.27Å; E1502-L1535 PolarHBondContact OE1-N 3.11Å
1503K88Confident85.1Confident18 Ų1843.5 Ų43.58%0.07825%0.247CC..Hα-helixtrans-62.4-47170.4-80.8177.8173.6-1760113.3E1288 E1292 L1295 L1499 K1501 K1505 L1506 K1507E1288-K1503 IonicContact OE1-NZ 3.21Å; E1288-K1503 PolarHBondContact OE1-NZ 2.92Å; E1292-K1503 IonicContact OE1-NZ 3.34Å; E1292-K1503 PolarHBondContact OE1-NZ 3.46Å; L1295-K1503 HydrophobicContact CD1-CB 4.27Å; L1295-K1503 HydrophobicContact CD1-CG 3.53Å; L1499-K1503 WeakPolarHBondContact O-CB 3.29Å; L1499-K1503 VanDerWaalsContact O-CG 3.3Å; L1499-K1503 WeakPolarHBondContact O-CG 3.45Å; L1499-K1503 PolarHBondContact O-N 3.01Å; K1501-K1503 VanDerWaalsContact C-N 3.35Å; K1503-K1505 VanDerWaalsContact C-N 3.27Å; K1503-K1505 PolarHBondContact O-N 3.22Å; K1503-L1506 WeakPolarHBondContact O-CB 3.12Å; K1503-L1506 PolarHBondContact O-N 3.2Å; K1503-L1506 VanDerWaalsContact O-N 3.14Å; K1503-K1507 PolarHBondContact O-N 3.4Å
1504Q87.3Confident84.9Confident78 Ų7842 Ų4236%0.36424%0.241SC..Hα-helixtrans-58.6-42.5178.6-171.9-177.8600110.6S1500 K1501 K1507 S1508S1500-Q1504 WeakPolarHBondContact O-CB 3.4Å; S1500-Q1504 PolarHBondContact O-N 3.27Å; K1501-Q1504 PolarHBondContact O-N 2.84Å; Q1504-K1507 PolarHBondContact O-N 3.35Å; Q1504-S1508 PolarHBondContact O-N 3.36Å; Q1504-S1508 PolarHBondContact O-OG 3.31Å
1505K87.2Confident84.6Confident98 Ų9842.7 Ų42.743%0.42625%0.246SC..Hα-helixtrans-66.8-37.1175.6-165.9179.1-177-176.30112.6K1501 E1502 K1503 S1508 G1509 S1532 L1533K1501-K1505 WeakPolarHBondContact O-CB 3.35Å; K1501-K1505 PolarHBondContact O-N 3.27Å; E1502-K1505 PolarHBondContact O-N 2.93Å; K1503-K1505 VanDerWaalsContact C-N 3.27Å; K1503-K1505 PolarHBondContact O-N 3.22Å; K1505-S1508 PolarHBondContact O-OG 2.79Å; K1505-G1509 PolarHBondContact O-N 3.37Å; K1505-S1532 PolarHBondContact NZ-O 2.82Å; K1505-L1533 HydrophobicContact CB-CD2 4.23Å; K1505-L1533 HydrophobicContact CD-CD2 3.92Å; K1505-L1533 HydrophobicContact CG-CD2 3.82Å
1506L87.3Confident84.1Confident0 Ų045.7 Ų45.70%026%0.262CS..Hα-helixtrans-64.7-45.9173.917863.1000111.7I1294 L1295 E1502 K1503 H1510 L1514 V1528 L1533I1294-L1506 HydrophobicContact CB-CD2 4.12Å; I1294-L1506 HydrophobicContact CD1-CD2 4.24Å; I1294-L1506 HydrophobicContact CG2-CD2 3.91Å; L1295-L1506 HydrophobicContact CD1-CD2 4.18Å; L1295-L1506 HydrophobicContact CG-CD2 4.38Å; E1502-L1506 WeakPolarHBondContact O-CB 3.49Å; E1502-L1506 PolarHBondContact O-N 2.98Å; K1503-L1506 WeakPolarHBondContact O-CB 3.12Å; K1503-L1506 PolarHBondContact O-N 3.2Å; K1503-L1506 VanDerWaalsContact O-N 3.14Å; L1506-H1510 HydrophobicContact CD1-CB 4.46Å; L1506-H1510 WeakPolarHBondContact O-CB 3.46Å; L1506-H1510 PolarHBondContact O-N 3.08Å; L1506-L1514 HydrophobicContact CG-CD1 4.41Å; L1506-V1528 HydrophobicContact CD1-CG1 4.09Å; L1506-V1528 HydrophobicContact CD1-CG2 4.13Å; L1506-L1533 HydrophobicContact CB-CD1 4.37Å; L1506-L1533 HydrophobicContact CD1-CD1 4.02Å
1507K86.2Confident83.4Confident16 Ų1645.9 Ų45.97%0.0726%0.257CS..Hα-helixtrans-64.9-43.3177.6-77.1171.7171.9-175.40112.8D1110 D1113 V1287 E1288 K1503 Q1504 S1511 L1514D1110-K1507 IonicContact OD2-NZ 2.97Å; D1110-K1507 PolarHBondContact OD2-NZ 3.31Å; D1113-K1507 IonicContact OD1-NZ 3.36Å; D1113-K1507 PolarHBondContact OD1-NZ 3.1Å; D1113-K1507 WeakPolarHBondContact OD2-CD 3.4Å; D1113-K1507 IonicContact OD2-NZ 3.12Å; D1113-K1507 PolarHBondContact OD2-NZ 3.11Å; V1287-K1507 HydrophobicContact CG1-CG 4.36Å; E1288-K1507 WeakPolarHBondContact OE2-CE 3.07Å; E1288-K1507 IonicContact OE2-NZ 3.69Å; E1288-K1507 PolarHBondContact OE2-NZ 2.84Å; K1503-K1507 PolarHBondContact O-N 3.4Å; Q1504-K1507 PolarHBondContact O-N 3.35Å; K1507-S1511 WeakPolarHBondContact O-CA 3.29Å; K1507-S1511 VanDerWaalsContact O-CB 3.31Å; K1507-S1511 WeakPolarHBondContact O-CB 3.49Å; K1507-S1511 PolarHBondContact O-N 2.93Å; K1507-S1511 VanDerWaalsContact O-N 3.09Å; K1507-L1514 HydrophobicContact CG-CD1 4.22Å
1508S83.8Confident82.7Confident94 Ų9448.4 Ų48.466%0.65728%0.279SS*.Hα-helixtrans-71.8-35.3179.263.80000112.9Q1504 K1505Q1504-S1508 PolarHBondContact O-N 3.36Å; Q1504-S1508 PolarHBondContact O-OG 3.31Å; K1505-S1508 PolarHBondContact O-OG 2.79Å
1509G81.4Confident82Confident51 Ų5155 Ų5553%0.52630%0.304SS..Hα-helixtrans-80.5-25.217900000115.1K1505K1505-G1509 PolarHBondContact O-N 3.37Å
1510H82.8Confident81.2Confident61 Ų6159 Ų5928%0.28232%0.321SS..Hα-helixtrans-136.227.9-170.5-59.986000113.8L1506 E1512 S1513 L1514L1506-H1510 HydrophobicContact CD1-CB 4.46Å; L1506-H1510 WeakPolarHBondContact O-CB 3.46Å; L1506-H1510 PolarHBondContact O-N 3.08Å; H1510-E1512 PolarHBondContact O-N 3.01Å; H1510-S1513 PolarHBondContact O-N 3.17Å; H1510-L1514 WeakPolarHBondContact O-CG 3.46Å; H1510-L1514 PolarHBondContact O-N 3.21Å
1511S78.2Confident80.6Confident70 Ų7057.1 Ų57.149%0.4931%0.307SS..Hα-helixtrans-49.1-50.5-178.354.20000113.4K1507 S1513 L1514 S1515K1507-S1511 WeakPolarHBondContact O-CA 3.29Å; K1507-S1511 VanDerWaalsContact O-CB 3.31Å; K1507-S1511 WeakPolarHBondContact O-CB 3.49Å; K1507-S1511 PolarHBondContact O-N 2.93Å; K1507-S1511 VanDerWaalsContact O-N 3.09Å; S1511-S1513 PolarHBondContact O-N 3.4Å; S1511-L1514 PolarHBondContact O-N 3.25Å; S1511-L1514 VanDerWaalsContact O-N 3.17Å; S1511-S1515 PolarHBondContact O-N 3.1Å; S1511-S1515 PolarHBondContact O-OG 2.98Å
1512E80.1Confident79.9Confident154 Ų15457.7 Ų57.772%0.7232%0.317SS*.Hα-helixtrans-63.7-37.4177.9-64.4-172.6163.800112.9H1510 L1514 S1515 N1516H1510-E1512 PolarHBondContact O-N 3.01Å; E1512-L1514 VanDerWaalsContact C-N 3.28Å; E1512-L1514 PolarHBondContact O-N 3.16Å; E1512-S1515 PolarHBondContact O-OG 3.17Å; E1512-S1515 VanDerWaalsContact O-OG 3.14Å; E1512-N1516 WeakPolarHBondContact O-CB 3.5Å; E1512-N1516 PolarHBondContact O-N 3.43Å
1513S79.9Confident79.5Confident21 Ų2161.1 Ų61.115%0.14734%0.335CS..Hα-helixtrans-74-21.6176.8-168.10000112.6H1510 S1511 I1524H1510-S1513 PolarHBondContact O-N 3.17Å; S1511-S1513 PolarHBondContact O-N 3.4Å; S1513-I1524 WeakPolarHBondContact O-CD1 3.39Å
1514L79.6Confident78.9Confident0 Ų060.3 Ų60.30%033%0.332CS..Hα-helixtrans-83-37.5175-70.2166.7000111.8V1287 R1290 I1294 L1506 K1507 H1510 S1511 E1512V1287-L1514 HydrophobicContact CG1-CB 4.29Å; V1287-L1514 HydrophobicContact CG1-CD1 4.4Å; R1290-L1514 HydrophobicContact CB-CD2 4.44Å; R1290-L1514 WeakPolarHBondContact CD-O 3.29Å; R1290-L1514 PolarHBondContact NE-O 3.02Å; I1294-L1514 HydrophobicContact CD1-CD2 3.67Å; L1506-L1514 HydrophobicContact CG-CD1 4.41Å; K1507-L1514 HydrophobicContact CG-CD1 4.22Å; H1510-L1514 WeakPolarHBondContact O-CG 3.46Å; H1510-L1514 PolarHBondContact O-N 3.21Å; S1511-L1514 PolarHBondContact O-N 3.25Å; S1511-L1514 VanDerWaalsContact O-N 3.17Å; E1512-L1514 VanDerWaalsContact C-N 3.28Å; E1512-L1514 PolarHBondContact O-N 3.16Å
1515S78.5Confident78.4Confident18 Ų1860.1 Ų60.113%0.12633%0.328CS..Hα-helixtrans-73.4-34174.362.60000112.4S1511 E1512 T1517S1511-S1515 PolarHBondContact O-N 3.1Å; S1511-S1515 PolarHBondContact O-OG 2.98Å; E1512-S1515 PolarHBondContact O-OG 3.17Å; E1512-S1515 VanDerWaalsContact O-OG 3.14Å; S1515-T1517 PolarHBondContact O-N 3.12Å; S1515-T1517 PolarHBondContact O-OG1 3.49Å
1516N76.8Confident77.9Confident69 Ų6960.2 Ų60.237%0.36934%0.341SS..  trans-65.8106.5177.1-169.5-15.2000111.7R1290 E1512 S1518R1290-N1516 PolarHBondContact NH2-O 2.86Å; E1512-N1516 WeakPolarHBondContact O-CB 3.5Å; E1512-N1516 PolarHBondContact O-N 3.43Å; N1516-S1518 VanDerWaalsContact C-N 3.31Å; N1516-S1518 PolarHBondContact O-N 3.44Å; N1516-S1518 WeakPolarHBondContact OD1-CB 3.46Å; N1516-S1518 PolarHBondContact OD1-N 3.22Å; N1516-S1518 VanDerWaalsContact OD1-N 3.08Å; N1516-S1518 PolarHBondContact OD1-OG 3.21Å
1517T69.2Low77.4Confident33 Ų3363.8 Ų63.820%0.20237%0.37CS..THydrogen-bonded Turntrans-79.1-11.7-175.1-57.80000113.2M1170 S1515 R1519M1170-T1517 HydrophobicContact CB-CG2 3.69Å; M1170-T1517 HydrophobicContact CG-CG2 4.32Å; M1170-T1517 HydrophobicContact SD-CG2 3.88Å; S1515-T1517 PolarHBondContact O-N 3.12Å; S1515-T1517 PolarHBondContact O-OG1 3.49Å; T1517-R1519 PolarHBondContact O-N 2.9Å
1518S73.5Confident76.9Confident86 Ų8663.3 Ų63.360%0.60137%0.369SS*.THydrogen-bonded Turntrans-70.4-28.4-177.465.50000114.5S1172 N1516S1172-S1518 WeakPolarHBondContact CB-O 3.3Å; N1516-S1518 VanDerWaalsContact C-N 3.31Å; N1516-S1518 PolarHBondContact O-N 3.44Å; N1516-S1518 WeakPolarHBondContact OD1-CB 3.46Å; N1516-S1518 PolarHBondContact OD1-N 3.22Å; N1516-S1518 VanDerWaalsContact OD1-N 3.08Å; N1516-S1518 PolarHBondContact OD1-OG 3.21Å
1519R73.5Confident76.5Confident137 Ų13764.6 Ų64.652%0.51737%0.368SS..SBendtrans-87.1140-178.5-66-177.6174.5179.8-3.3111.5T1517 I1524T1517-R1519 PolarHBondContact O-N 2.9Å; R1519-I1524 HydrophobicContact CB-CD1 4.14Å; R1519-I1524 HydrophobicContact CB-CG1 3.99Å
1520K68.7Low76Confident96 Ų9664.7 Ų64.742%0.41736%0.356SS..  trans-68.5147.4173.2-59.1167.3179.4174.20109.5S1172 T1522 D1523 I1524S1172-K1520 WeakPolarHBondContact OG-CG 3.38Å; K1520-T1522 WeakPolarHBondContact CB-OG1 3.35Å; K1520-T1522 PolarHBondContact O-N 3.49Å; K1520-D1523 HydrophobicContact CB-CB 4.45Å; K1520-D1523 WeakPolarHBondContact CB-OD2 3.48Å; K1520-D1523 PolarHBondContact O-N 3.22Å; K1520-I1524 WeakPolarHBondContact O-CG1 3.49Å; K1520-I1524 PolarHBondContact O-N 3.2Å; K1520-I1524 VanDerWaalsContact O-N 3.08Å
1521L74.5Confident75.7Confident17 Ų1765.5 Ų65.59%0.08937%0.367CS..Hα-helixtrans-63.5-27.1176.2-84.874.1000112.9V1169 V1293 D1523 R1525V1169-L1521 HydrophobicContact CG1-CD1 4.24Å; V1169-L1521 HydrophobicContact CG1-CD2 3.75Å; V1293-L1521 HydrophobicContact CB-CD2 3.89Å; V1293-L1521 HydrophobicContact CG1-CD2 3.76Å; L1521-D1523 VanDerWaalsContact C-N 3.33Å; L1521-R1525 VanDerWaalsContact O-CB 3.31Å; L1521-R1525 WeakPolarHBondContact O-CB 3.39Å; L1521-R1525 PolarHBondContact O-N 3.14Å
1522T74Confident75.7Confident93 Ų9365.4 Ų65.457%0.57137%0.366SS*.Hα-helixtrans-59.6-46.2171.144.20000111.3K1520 R1525 S1526K1520-T1522 WeakPolarHBondContact CB-OG1 3.35Å; K1520-T1522 PolarHBondContact O-N 3.49Å; T1522-R1525 PolarHBondContact O-N 2.83Å; T1522-S1526 PolarHBondContact O-N 3.13Å; T1522-S1526 PolarHBondContact O-OG 2.9Å
1523D78.4Confident75.4Confident73 Ų7358.4 Ų58.439%0.3933%0.334SS..Hα-helixtrans-72.9-38.8-173.4-45-7.4000109.6K1520 L1521 S1526 A1527K1520-D1523 HydrophobicContact CB-CB 4.45Å; K1520-D1523 WeakPolarHBondContact CB-OD2 3.48Å; K1520-D1523 PolarHBondContact O-N 3.22Å; L1521-D1523 VanDerWaalsContact C-N 3.33Å; D1523-S1526 WeakPolarHBondContact CA-OG 3.4Å; D1523-S1526 PolarHBondContact O-N 3.38Å; D1523-S1526 PolarHBondContact O-OG 3.5Å; D1523-A1527 WeakPolarHBondContact O-CB 3.48Å; D1523-A1527 PolarHBondContact O-N 2.94Å
1524I77.1Confident75.4Confident2 Ų260.7 Ų60.71%0.0134%0.342CS..Hα-helixtrans-60.5-46.2169.6-61.3167.4000110.1I1294 S1513 R1519 K1520 S1526 A1527 V1528I1294-I1524 HydrophobicContact CD1-CG2 3.91Å; S1513-I1524 WeakPolarHBondContact O-CD1 3.39Å; R1519-I1524 HydrophobicContact CB-CD1 4.14Å; R1519-I1524 HydrophobicContact CB-CG1 3.99Å; K1520-I1524 WeakPolarHBondContact O-CG1 3.49Å; K1520-I1524 PolarHBondContact O-N 3.2Å; K1520-I1524 VanDerWaalsContact O-N 3.08Å; I1524-S1526 VanDerWaalsContact C-N 3.29Å; I1524-S1526 PolarHBondContact O-N 3.04Å; I1524-A1527 PolarHBondContact O-N 3.45Å; I1524-A1527 VanDerWaalsContact O-N 3.16Å; I1524-V1528 HydrophobicContact CG2-CG2 4.26Å; I1524-V1528 VanDerWaalsContact O-CG2 3.26Å; I1524-V1528 WeakPolarHBondContact O-CG2 3.34Å; I1524-V1528 PolarHBondContact O-N 3.3Å
1525R75.9Confident75.5Confident74 Ų7463.7 Ų63.728%0.27936%0.358SS..Hα-helixtrans-65.2-28.9178.9-179.3169.9170.4161.4-12.4113.3I1294 N1297 L1521 T1522 L1530I1294-R1525 HydrophobicContact CG2-CB 4.43Å; I1294-R1525 HydrophobicContact CG2-CG 4.45Å; I1294-R1525 PolarHBondContact O-NH1 3.09Å; N1297-R1525 PolarHBondContact ND2-NH2 3.27Å; L1521-R1525 VanDerWaalsContact O-CB 3.31Å; L1521-R1525 WeakPolarHBondContact O-CB 3.39Å; L1521-R1525 PolarHBondContact O-N 3.14Å; T1522-R1525 PolarHBondContact O-N 2.83Å; R1525-L1530 HydrophobicContact CG-CD1 4.17Å
1526S76Confident75.6Confident99 Ų9962.9 Ų62.969%0.69235%0.352SS*.Hα-helixtrans-81.6-24.6172.351.50000114.1T1522 D1523 I1524T1522-S1526 PolarHBondContact O-N 3.13Å; T1522-S1526 PolarHBondContact O-OG 2.9Å; D1523-S1526 WeakPolarHBondContact CA-OG 3.4Å; D1523-S1526 PolarHBondContact O-N 3.38Å; D1523-S1526 PolarHBondContact O-OG 3.5Å; I1524-S1526 VanDerWaalsContact C-N 3.29Å; I1524-S1526 PolarHBondContact O-N 3.04Å
1527A78.1Confident75.6Confident75 Ų7565.1 Ų65.162%0.6236%0.36SS*.Hα-helixtrans-83-19.7176.600000113.2D1523 I1524D1523-A1527 WeakPolarHBondContact O-CB 3.48Å; D1523-A1527 PolarHBondContact O-N 2.94Å; I1524-A1527 PolarHBondContact O-N 3.45Å; I1524-A1527 VanDerWaalsContact O-N 3.16Å
1528V74.7Confident76.1Confident6 Ų665.8 Ų65.84%0.03637%0.367CS..SBendtrans-87.9118.9177.3169.40000109.9L1506 I1524 L1530 L1533L1506-V1528 HydrophobicContact CD1-CG1 4.09Å; L1506-V1528 HydrophobicContact CD1-CG2 4.13Å; I1524-V1528 HydrophobicContact CG2-CG2 4.26Å; I1524-V1528 VanDerWaalsContact O-CG2 3.26Å; I1524-V1528 WeakPolarHBondContact O-CG2 3.34Å; I1524-V1528 PolarHBondContact O-N 3.3Å; V1528-L1530 VanDerWaalsContact C-N 3.29Å; V1528-L1530 PolarHBondContact O-N 3.42Å; V1528-L1533 HydrophobicContact CG1-CD1 3.38Å; V1528-L1533 HydrophobicContact CG1-CG 4.3Å
1529D74.9Confident76.2Confident121 Ų12164 Ų6465%0.64736%0.357SS*.  trans-66.285172.5-95.6-32.7000111.3P1531 S1532 L1533D1529-P1531 VanDerWaalsContact C-CD 3.41Å; D1529-P1531 VanDerWaalsContact C-N 3.33Å; D1529-S1532 WeakPolarHBondContact O-CB 3.39Å; D1529-S1532 PolarHBondContact O-N 3.27Å; D1529-S1532 PolarHBondContact O-OG 3.33Å; D1529-L1533 PolarHBondContact O-N 2.81Å
1530L72.3Confident76.7Confident53 Ų5363.3 Ų63.328%0.27736%0.363SS..Hα-helixtrans-47.4-44.3177.9-85.6146000113.6R1525 V1528 S1532 L1533 Q1534R1525-L1530 HydrophobicContact CG-CD1 4.17Å; V1528-L1530 VanDerWaalsContact C-N 3.29Å; V1528-L1530 PolarHBondContact O-N 3.42Å; L1530-S1532 VanDerWaalsContact C-N 3.27Å; L1530-S1532 PolarHBondContact O-N 2.98Å; L1530-L1533 PolarHBondContact O-N 2.86Å; L1530-L1533 VanDerWaalsContact O-N 3.1Å; L1530-Q1534 WeakPolarHBondContact O-CG 3.38Å; L1530-Q1534 PolarHBondContact O-N 3.27Å
1531P75Confident77.4Confident78 Ų7860.9 Ų60.951%0.50636%0.355SS..Hα-helixtrans-60.7-32.7177.5-2435.3000113.8D1529 L1533 Q1534D1529-P1531 VanDerWaalsContact C-CD 3.41Å; D1529-P1531 VanDerWaalsContact C-N 3.33Å; P1531-L1533 VanDerWaalsContact C-N 3.26Å; P1531-L1533 PolarHBondContact O-N 3.4Å; P1531-Q1534 PolarHBondContact O-N 3.27Å
1532S78.3Confident77.7Confident68 Ų6860.2 Ų60.248%0.47635%0.352SS..Hα-helixtrans-70.9-21.917879.50000113K1505 D1529 L1530K1505-S1532 PolarHBondContact NZ-O 2.82Å; D1529-S1532 WeakPolarHBondContact O-CB 3.39Å; D1529-S1532 PolarHBondContact O-N 3.27Å; D1529-S1532 PolarHBondContact O-OG 3.33Å; L1530-S1532 VanDerWaalsContact C-N 3.27Å; L1530-S1532 PolarHBondContact O-N 2.98Å
1533L75.4Confident77.9Confident7 Ų761 Ų614%0.03735%0.349CS..Hα-helixtrans-85.5-24.5175.9-65.2179.2000112.6E1502 K1505 L1506 V1528 D1529 L1530 P1531 L1535E1502-L1533 WeakPolarHBondContact CG-O 3.19Å; K1505-L1533 HydrophobicContact CB-CD2 4.23Å; K1505-L1533 HydrophobicContact CD-CD2 3.92Å; K1505-L1533 HydrophobicContact CG-CD2 3.82Å; L1506-L1533 HydrophobicContact CB-CD1 4.37Å; L1506-L1533 HydrophobicContact CD1-CD1 4.02Å; V1528-L1533 HydrophobicContact CG1-CD1 3.38Å; V1528-L1533 HydrophobicContact CG1-CG 4.3Å; D1529-L1533 PolarHBondContact O-N 2.81Å; L1530-L1533 PolarHBondContact O-N 2.86Å; L1530-L1533 VanDerWaalsContact O-N 3.1Å; P1531-L1533 VanDerWaalsContact C-N 3.26Å; P1531-L1533 PolarHBondContact O-N 3.4Å; L1533-L1535 PolarHBondContact O-N 3.35Å
1534Q78.3Confident78.3Confident69 Ų6964.3 Ų64.332%0.32236%0.36SS..  trans-66.5123.2-173.9-72.5174.77.700112.3E1502 L1530 P1531E1502-Q1534 WeakPolarHBondContact OE1-CA 3.28Å; L1530-Q1534 WeakPolarHBondContact O-CG 3.38Å; L1530-Q1534 PolarHBondContact O-N 3.27Å; P1531-Q1534 PolarHBondContact O-N 3.27Å
1535L81.6Confident78.7Confident64 Ų6465.2 Ų65.234%0.33536%0.364SS..SBendtrans-89-8.7177.9-78.9163.4000114.4V1498 K1501 E1502 L1533 M1545V1498-L1535 HydrophobicContact CG1-CB 4.34Å; K1501-L1535 HydrophobicContact CB-CD1 3.49Å; K1501-L1535 VanDerWaalsContact CB-CD1 3.49Å; E1502-L1535 HydrophobicContact CG-CB 4.5Å; E1502-L1535 HydrophobicContact CG-CD1 3.94Å; E1502-L1535 HydrophobicContact CG-CG 4.27Å; E1502-L1535 PolarHBondContact OE1-N 3.11Å; L1533-L1535 PolarHBondContact O-N 3.35Å; L1535-M1545 HydrophobicContact CB-CE 4.21Å; L1535-M1545 HydrophobicContact CB-SD 4.46Å; L1535-M1545 HydrophobicContact CD1-CE 3.91Å
1536V80.9Confident78.9Confident0 Ų062.4 Ų62.40%035%0.354CS..  trans-139.1117.9-171.1-177.40000108.8R1298 L1302 Y1494 V1498 D1541 V1542 M1545R1298-V1536 PolarHBondContact NH1-O 3.41Å; R1298-V1536 PolarHBondContact NH2-O 3.34Å; L1302-V1536 HydrophobicContact CD2-CB 3.8Å; L1302-V1536 HydrophobicContact CD2-CG1 4.12Å; L1302-V1536 HydrophobicContact CD2-CG2 3.99Å; Y1494-V1536 WeakPolarHBondContact OH-CG1 3.36Å; Y1494-V1536 VanDerWaalsContact OH-CG2 3.29Å; Y1494-V1536 WeakPolarHBondContact OH-CG2 3.08Å; V1498-V1536 HydrophobicContact CG1-CG2 4.12Å; V1498-V1536 HydrophobicContact CG2-CG2 4.24Å; V1536-D1541 HydrophobicContact CB-CB 4.44Å; V1536-D1541 HydrophobicContact CG1-CB 4.23Å; V1536-V1542 HydrophobicContact CG1-CG2 3.79Å; V1536-M1545 HydrophobicContact CG2-CG 4Å
1537Q77Confident79.2Confident116 Ų11661 Ų6154%0.54234%0.342SS..SBendtrans-130.7-34.7175.4-65.7-176.8-4.500111.9D1541Q1537-D1541 PolarHBondContact N-OD2 3.46Å
1538S79.5Confident79.6Confident48 Ų4859.3 Ų59.334%0.33633%0.327SS..SBendtrans-111.5166.4179.470.80000113.2N1540 D1541 V1542S1538-N1540 VanDerWaalsContact C-N 3.27Å; S1538-N1540 PolarHBondContact O-N 3.05Å; S1538-D1541 WeakPolarHBondContact CB-OD2 3.43Å; S1538-D1541 PolarHBondContact N-OD2 3Å; S1538-D1541 WeakPolarHBondContact O-CB 3.28Å; S1538-D1541 PolarHBondContact O-N 3.11Å; S1538-D1541 PolarHBondContact OG-N 3.29Å; S1538-D1541 PolarHBondContact OG-OD2 3.13Å; S1538-V1542 PolarHBondContact O-N 3.34Å
1539A76.1Confident80Confident48 Ų4859.2 Ų59.240%0.39733%0.327SS..Hα-helixtrans-61.8-32.9173.200000113D1541 V1542 E1543A1539-D1541 VanDerWaalsContact C-N 3.33Å; A1539-D1541 PolarHBondContact O-N 2.93Å; A1539-V1542 VanDerWaalsContact O-CB 3.29Å; A1539-V1542 WeakPolarHBondContact O-CB 3.46Å; A1539-V1542 PolarHBondContact O-N 2.83Å; A1539-V1542 VanDerWaalsContact O-N 3.15Å; A1539-E1543 PolarHBondContact O-N 2.86Å
1540N83.2Confident80.2Confident122 Ų12254.3 Ų54.365%0.65230%0.302SS*.Hα-helixtrans-68.9-31.4176.3-65.6-7.3000112S1538 V1542 E1543 K1544S1538-N1540 VanDerWaalsContact C-N 3.27Å; S1538-N1540 PolarHBondContact O-N 3.05Å; N1540-V1542 VanDerWaalsContact C-N 3.26Å; N1540-V1542 PolarHBondContact O-N 2.88Å; N1540-E1543 PolarHBondContact O-N 3.42Å; N1540-K1544 WeakPolarHBondContact O-CB 3.44Å; N1540-K1544 PolarHBondContact O-N 3.27Å
1541D84.4Confident80.7Confident46 Ų4655.1 Ų55.125%0.24631%0.309CS..Hα-helixtrans-68.3-28.4172.8-58.1-51.4000111.8V1536 Q1537 S1538 A1539 M1545V1536-D1541 HydrophobicContact CB-CB 4.44Å; V1536-D1541 HydrophobicContact CG1-CB 4.23Å; Q1537-D1541 PolarHBondContact N-OD2 3.46Å; S1538-D1541 WeakPolarHBondContact CB-OD2 3.43Å; S1538-D1541 PolarHBondContact N-OD2 3Å; S1538-D1541 WeakPolarHBondContact O-CB 3.28Å; S1538-D1541 PolarHBondContact O-N 3.11Å; S1538-D1541 PolarHBondContact OG-N 3.29Å; S1538-D1541 PolarHBondContact OG-OD2 3.13Å; A1539-D1541 VanDerWaalsContact C-N 3.33Å; A1539-D1541 PolarHBondContact O-N 2.93Å; D1541-M1545 WeakPolarHBondContact O-CB 3.41Å; D1541-M1545 VanDerWaalsContact O-CG 3.28Å; D1541-M1545 WeakPolarHBondContact O-CG 3.31Å; D1541-M1545 PolarHBondContact O-N 2.92Å
1542V80Confident81Confident2 Ų254.2 Ų54.21%0.01230%0.3CS..Hα-helixtrans-62.5-55.3173.3-176.30000109.5L1306 Y1494 V1536 S1538 A1539 N1540 K1544 M1545 E1546L1306-V1542 HydrophobicContact CD1-CG1 4.12Å; Y1494-V1542 HydrophobicContact CE2-CG1 4.05Å; Y1494-V1542 WeakPolarHBondContact OH-CA 3.35Å; V1536-V1542 HydrophobicContact CG1-CG2 3.79Å; S1538-V1542 PolarHBondContact O-N 3.34Å; A1539-V1542 VanDerWaalsContact O-CB 3.29Å; A1539-V1542 WeakPolarHBondContact O-CB 3.46Å; A1539-V1542 PolarHBondContact O-N 2.83Å; A1539-V1542 VanDerWaalsContact O-N 3.15Å; N1540-V1542 VanDerWaalsContact C-N 3.26Å; N1540-V1542 PolarHBondContact O-N 2.88Å; V1542-K1544 VanDerWaalsContact C-N 3.34Å; V1542-K1544 PolarHBondContact O-N 3.02Å; V1542-M1545 CarbonylContact O-C 3.59Å; V1542-M1545 PolarHBondContact O-N 3.1Å; V1542-M1545 VanDerWaalsContact O-N 3.09Å; V1542-E1546 HydrophobicContact CG1-CG 4.34Å; V1542-E1546 WeakPolarHBondContact O-CG 3.28Å; V1542-E1546 PolarHBondContact O-N 3.33Å
1543E79.1Confident81.1Confident109 Ų10951.9 Ų51.951%0.50928%0.281SS..Hα-helixtrans-59.2-42.2179.2-171.6-173.8170.500112.4A1539 N1540 M1545 E1546 T1547A1539-E1543 PolarHBondContact O-N 2.86Å; N1540-E1543 PolarHBondContact O-N 3.42Å; E1543-M1545 VanDerWaalsContact C-N 3.32Å; E1543-M1545 PolarHBondContact O-N 3.3Å; E1543-E1546 PolarHBondContact O-N 2.98Å; E1543-T1547 WeakPolarHBondContact O-CG2 3.19Å; E1543-T1547 PolarHBondContact O-N 3.28Å; E1543-T1547 PolarHBondContact O-OG1 2.89Å
1544K85.8Confident81.3Confident143 Ų14356.8 Ų56.862%0.62230%0.303SS*.Hα-helixtrans-62.5-36.6175.9-177.6177.5177.2-177.50112.9N1540 V1542 T1547 A1548N1540-K1544 WeakPolarHBondContact O-CB 3.44Å; N1540-K1544 PolarHBondContact O-N 3.27Å; V1542-K1544 VanDerWaalsContact C-N 3.34Å; V1542-K1544 PolarHBondContact O-N 3.02Å; K1544-T1547 WeakPolarHBondContact CA-OG1 3.42Å; K1544-T1547 PolarHBondContact O-OG1 3.32Å; K1544-A1548 PolarHBondContact O-N 3.49Å
1545M85.8Confident81.4Confident21 Ų2160.9 Ų60.910%0.10332%0.323CS..Hα-helixtrans-80.3-32176.1-70.8-62.6-70.700112Y1494 F1497 V1498 L1535 V1536 D1541 V1542 E1543 A1548 V1549Y1494-M1545 HydrophobicContact CD2-CB 4.47Å; Y1494-M1545 HydrophobicContact CE2-CB 3.68Å; F1497-M1545 HydrophobicContact CD1-CE 4.02Å; F1497-M1545 HydrophobicContact CE1-CE 3.96Å; V1498-M1545 HydrophobicContact CB-CE 4.42Å; V1498-M1545 HydrophobicContact CG2-CB 4.26Å; V1498-M1545 HydrophobicContact CG2-CE 3.77Å; L1535-M1545 HydrophobicContact CB-CE 4.21Å; L1535-M1545 HydrophobicContact CB-SD 4.46Å; L1535-M1545 HydrophobicContact CD1-CE 3.91Å; V1536-M1545 HydrophobicContact CG2-CG 4Å; D1541-M1545 WeakPolarHBondContact O-CB 3.41Å; D1541-M1545 VanDerWaalsContact O-CG 3.28Å; D1541-M1545 WeakPolarHBondContact O-CG 3.31Å; D1541-M1545 PolarHBondContact O-N 2.92Å; V1542-M1545 CarbonylContact O-C 3.59Å; V1542-M1545 PolarHBondContact O-N 3.1Å; V1542-M1545 VanDerWaalsContact O-N 3.09Å; E1543-M1545 VanDerWaalsContact C-N 3.32Å; E1543-M1545 PolarHBondContact O-N 3.3Å; M1545-A1548 PolarHBondContact O-N 2.91Å; M1545-V1549 WeakPolarHBondContact O-CB 3.35Å; M1545-V1549 WeakPolarHBondContact O-CG2 2.92Å; M1545-V1549 PolarHBondContact O-N 2.83Å
1546E80.9Confident81.2Confident15 Ų1560.8 Ų60.87%0.0732%0.32CS..Hα-helixtrans-64-41.4172.4-73.6-176.4116.900112.2K1309 R1490 Y1494 V1542 E1543 V1549 S1550K1309-E1546 IonicContact NZ-OE2 3.58Å; R1490-E1546 IonicContact CZ-OE1 3.96Å; R1490-E1546 IonicContact NE-OE1 3.29Å; R1490-E1546 IonicContact NH1-OE1 3.69Å; Y1494-E1546 HydrophobicContact CD2-CG 3.47Å; Y1494-E1546 VanDerWaalsContact CD2-CG 3.47Å; Y1494-E1546 HydrophobicContact CE2-CG 3.77Å; Y1494-E1546 HydrophobicContact CG-CG 4.36Å; V1542-E1546 HydrophobicContact CG1-CG 4.34Å; V1542-E1546 WeakPolarHBondContact O-CG 3.28Å; V1542-E1546 PolarHBondContact O-N 3.33Å; E1543-E1546 PolarHBondContact O-N 2.98Å; E1546-V1549 WeakPolarHBondContact O-CB 3.46Å; E1546-V1549 PolarHBondContact O-N 2.89Å; E1546-S1550 PolarHBondContact O-N 3.47Å
1547T82.2Confident81.2Confident71 Ų7163.6 Ų63.644%0.43634%0.339SS..Hα-helixtrans-67.8-39173.348.60000112.5E1543 K1544 V1549 S1550 V1551E1543-T1547 WeakPolarHBondContact O-CG2 3.19Å; E1543-T1547 PolarHBondContact O-N 3.28Å; E1543-T1547 PolarHBondContact O-OG1 2.89Å; K1544-T1547 WeakPolarHBondContact CA-OG1 3.42Å; K1544-T1547 PolarHBondContact O-OG1 3.32Å; T1547-V1549 VanDerWaalsContact C-N 3.29Å; T1547-V1549 PolarHBondContact O-N 3.42Å; T1547-S1550 PolarHBondContact O-N 3.27Å; T1547-S1550 PolarHBondContact O-OG 3.31Å; T1547-V1551 WeakPolarHBondContact O-CG2 3.25Å; T1547-V1551 PolarHBondContact O-N 2.88Å; T1547-V1551 VanDerWaalsContact O-N 3.14Å
1548A86.1Confident81.1Confident38 Ų3859.5 Ų59.531%0.31432%0.324SS..Hα-helixtrans-61.6-37.9172.200000112.5F1497 K1544 M1545 D1552F1497-A1548 HydrophobicContact CE1-CB 4.27Å; K1544-A1548 PolarHBondContact O-N 3.49Å; M1545-A1548 PolarHBondContact O-N 2.91Å; A1548-D1552 PolarHBondContact O-N 2.94Å; A1548-D1552 VanDerWaalsContact O-N 3.11Å
1549V83.8Confident80.9Confident4 Ų460.4 Ų60.42%0.02433%0.334CS..Hα-helixtrans-67.3-39.6176.1167.70000112.3R1493 F1497 M1545 E1546 T1547 W1553R1493-V1549 HydrophobicContact CG-CG1 3.67Å; R1493-V1549 VanDerWaalsContact CZ-CG1 3.45Å; F1497-V1549 HydrophobicContact CB-CG2 3.53Å; F1497-V1549 HydrophobicContact CD1-CG2 3.3Å; F1497-V1549 HydrophobicContact CD2-CG2 4.21Å; F1497-V1549 HydrophobicContact CE1-CG2 3.97Å; F1497-V1549 HydrophobicContact CG-CG2 3.44Å; F1497-V1549 VanDerWaalsContact CG-CG2 3.44Å; M1545-V1549 WeakPolarHBondContact O-CB 3.35Å; M1545-V1549 WeakPolarHBondContact O-CG2 2.92Å; M1545-V1549 PolarHBondContact O-N 2.83Å; E1546-V1549 WeakPolarHBondContact O-CB 3.46Å; E1546-V1549 PolarHBondContact O-N 2.89Å; T1547-V1549 VanDerWaalsContact C-N 3.29Å; T1547-V1549 PolarHBondContact O-N 3.42Å; V1549-W1553 WeakPolarHBondContact O-CB 3.39Å; V1549-W1553 PolarHBondContact O-N 2.8Å
1550S77.6Confident81.1Confident19 Ų1959.7 Ų59.713%0.13333%0.325CS..Hα-helixtrans-66.5-40.4177.571.50000111.4E1546 T1547 W1553 Q1554E1546-S1550 PolarHBondContact O-N 3.47Å; T1547-S1550 PolarHBondContact O-N 3.27Å; T1547-S1550 PolarHBondContact O-OG 3.31Å; S1550-W1553 PolarHBondContact O-N 2.86Å; S1550-Q1554 WeakPolarHBondContact O-CB 3.36Å; S1550-Q1554 WeakPolarHBondContact O-CG 3.06Å; S1550-Q1554 PolarHBondContact O-N 3.26Å
1551V83.5Confident81.1Confident70 Ų7055.8 Ų55.842%0.42430%0.301SS..Hα-helixtrans-64.3-47.7176.7174.60000112.3T1547 W1553 Q1554 Q1555T1547-V1551 WeakPolarHBondContact O-CG2 3.25Å; T1547-V1551 PolarHBondContact O-N 2.88Å; T1547-V1551 VanDerWaalsContact O-N 3.14Å; V1551-W1553 VanDerWaalsContact C-N 3.26Å; V1551-W1553 PolarHBondContact O-N 3.42Å; V1551-Q1554 PolarHBondContact O-N 3.4Å; V1551-Q1555 WeakPolarHBondContact O-CG 3.34Å; V1551-Q1555 PolarHBondContact O-N 2.95Å; V1551-Q1555 VanDerWaalsContact O-N 3.1Å
1552D81Confident81.2Confident58 Ų5855.2 Ų55.231%0.3130%0.297SS..Hα-helixtrans-60.3-35.2176.8170.983.4000112.5F1497 A1548 K1556F1497-D1552 HydrophobicContact CE2-CB 3.93Å; F1497-D1552 HydrophobicContact CZ-CB 4.48Å; A1548-D1552 PolarHBondContact O-N 2.94Å; A1548-D1552 VanDerWaalsContact O-N 3.11Å; D1552-K1556 VanDerWaalsContact O-CE 3.3Å; D1552-K1556 WeakPolarHBondContact O-CE 3.45Å; D1552-K1556 IonicContact OD1-NZ 3.72Å; D1552-K1556 IonicContact OD2-NZ 3.78Å; D1552-K1556 PolarHBondContact OD2-NZ 2.92Å
1553W82.1Confident81.3Confident20 Ų2060.3 Ų60.38%0.07632%0.324CS..Hα-helixtrans-72.8-41.7175.2-176.982.6000112.2S1482 V1483 N1486 V1549 S1550 V1551 Q1555 K1556 R1561S1482-W1553 WeakPolarHBondContact O-CZ2 3.43Å; S1482-W1553 WeakPolarHBondContact OG-CH2 3.36Å; S1482-W1553 WeakPolarHBondContact OG-CZ2 3.24Å; V1483-W1553 HydrophobicContact CG2-CH2 3.77Å; V1483-W1553 HydrophobicContact CG2-CZ3 4.2Å; N1486-W1553 HydrophobicContact CB-CH2 4.26Å; N1486-W1553 HydrophobicContact CB-CZ2 3.76Å; V1549-W1553 WeakPolarHBondContact O-CB 3.39Å; V1549-W1553 PolarHBondContact O-N 2.8Å; S1550-W1553 PolarHBondContact O-N 2.86Å; V1551-W1553 VanDerWaalsContact C-N 3.26Å; V1551-W1553 PolarHBondContact O-N 3.42Å; W1553-Q1555 VanDerWaalsContact C-N 3.29Å; W1553-Q1555 PolarHBondContact O-N 3.36Å; W1553-K1556 PolarHBondContact O-N 2.87Å; W1553-R1561 HydrophobicContact CD2-CG 4.35Å; W1553-R1561 HydrophobicContact CZ2-CB 3.8Å; W1553-R1561 HydrophobicContact CZ2-CG 4.27Å; W1553-R1561 PolarHBondContact NE1-O 3.14Å; W1553-R1561 WeakPolarHBondContact O-CG 3.37Å
1554Q78.1Confident81.5Confident109 Ų10957.2 Ų57.251%0.50931%0.311SS..Hα-helixtrans-63.6-29.1177.5-77.3-180-1.200113.4S1550 V1551 K1556 R1561S1550-Q1554 WeakPolarHBondContact O-CB 3.36Å; S1550-Q1554 WeakPolarHBondContact O-CG 3.06Å; S1550-Q1554 PolarHBondContact O-N 3.26Å; V1551-Q1554 PolarHBondContact O-N 3.4Å; Q1554-K1556 PolarHBondContact O-N 3.47Å; Q1554-R1561 PolarHBondContact O-NE 2.92Å; Q1554-R1561 PolarHBondContact O-NH2 3.43Å
1555Q81.1Confident81.5Confident156 Ų15650.4 Ų50.473%0.72928%0.281SS*.THydrogen-bonded Turntrans-69.3-14178-72177.79.900114.4V1551 W1553V1551-Q1555 WeakPolarHBondContact O-CG 3.34Å; V1551-Q1555 PolarHBondContact O-N 2.95Å; V1551-Q1555 VanDerWaalsContact O-N 3.1Å; W1553-Q1555 VanDerWaalsContact C-N 3.29Å; W1553-Q1555 PolarHBondContact O-N 3.36Å
1556K77.8Confident81.5Confident62 Ų6252 Ų5227%0.2729%0.292SS..SBendtrans-85.5158.4-178.5-67.6160.4-170.5164.10111.6D1552 W1553 Q1554 R1561D1552-K1556 VanDerWaalsContact O-CE 3.3Å; D1552-K1556 WeakPolarHBondContact O-CE 3.45Å; D1552-K1556 IonicContact OD1-NZ 3.72Å; D1552-K1556 IonicContact OD2-NZ 3.78Å; D1552-K1556 PolarHBondContact OD2-NZ 2.92Å; W1553-K1556 PolarHBondContact O-N 2.87Å; Q1554-K1556 PolarHBondContact O-N 3.47Å; K1556-R1561 HydrophobicContact CB-CG 4.06Å; K1556-R1561 PolarHBondContact O-NE 2.72Å; K1556-R1561 PolarHBondContact O-NH2 3.42Å
1557S80.8Confident81.7Confident58 Ų5855.3 Ų55.341%0.40631%0.313SS..  trans-71.7150.5178.5680000111.7A1559 T1560 R1561S1557-A1559 VanDerWaalsContact C-N 3.28Å; S1557-A1559 PolarHBondContact O-N 2.78Å; S1557-A1559 VanDerWaalsContact O-N 3.11Å; S1557-T1560 PolarHBondContact N-OG1 2.9Å; S1557-T1560 VanDerWaalsContact N-OG1 3.08Å; S1557-T1560 CarbonylContact O-C 3.55Å; S1557-T1560 WeakPolarHBondContact O-CA 3.38Å; S1557-T1560 PolarHBondContact O-N 3.33Å; S1557-T1560 PolarHBondContact O-OG1 3.12Å; S1557-T1560 WeakPolarHBondContact OG-CG2 3.37Å; S1557-T1560 PolarHBondContact OG-OG1 3Å; S1557-R1561 PolarHBondContact O-N 3.19Å
1558S74.2Confident81.8Confident31 Ų3153.7 Ų53.722%0.21730%0.302CS..Hα-helixtrans-49.5-43-176-56.50000114.5D1479 R1561 L1562D1479-S1558 VanDerWaalsContact CG-OG 3.29Å; D1479-S1558 WeakPolarHBondContact OD1-CA 3.32Å; D1479-S1558 WeakPolarHBondContact OD1-CB 3.35Å; D1479-S1558 PolarHBondContact OD1-OG 2.76Å; D1479-S1558 PolarHBondContact OD2-OG 3.19Å; S1558-R1561 PolarHBondContact O-N 2.69Å; S1558-L1562 PolarHBondContact O-N 3.38Å
1559A75.8Confident81.9Confident66 Ų6653.2 Ų53.255%0.54530%0.296SS..Hα-helixtrans-67-37.5176.400000113.1S1557 L1563S1557-A1559 VanDerWaalsContact C-N 3.28Å; S1557-A1559 PolarHBondContact O-N 2.78Å; S1557-A1559 VanDerWaalsContact O-N 3.11Å; A1559-L1563 WeakPolarHBondContact O-CB 3.3Å; A1559-L1563 PolarHBondContact O-N 3.43Å
1560T79.3Confident82Confident34 Ų3456.9 Ų56.921%0.20931%0.314CS..Hα-helixtrans-78.1-27.6176.1580000112.6Y1118 S1557 N1564Y1118-T1560 HydrophobicContact CE1-CG2 4.48Å; S1557-T1560 PolarHBondContact N-OG1 2.9Å; S1557-T1560 VanDerWaalsContact N-OG1 3.08Å; S1557-T1560 CarbonylContact O-C 3.55Å; S1557-T1560 WeakPolarHBondContact O-CA 3.38Å; S1557-T1560 PolarHBondContact O-N 3.33Å; S1557-T1560 PolarHBondContact O-OG1 3.12Å; S1557-T1560 WeakPolarHBondContact OG-CG2 3.37Å; S1557-T1560 PolarHBondContact OG-OG1 3Å; T1560-N1564 VanDerWaalsContact O-CB 3.29Å; T1560-N1564 WeakPolarHBondContact O-CB 3.35Å; T1560-N1564 VanDerWaalsContact O-CG 3.25Å; T1560-N1564 PolarHBondContact O-N 3.18Å; T1560-N1564 PolarHBondContact O-ND2 3.06Å
1561R83.2Confident82.3Confident39 Ų3956.1 Ų56.115%0.14731%0.31CS..Hα-helixtrans-61.6-48.3167.5-70.6-172.9-157.8144.5-3.9111.1D1479 W1553 Q1554 K1556 S1557 S1558 N1564 A1565D1479-R1561 IonicContact OD1-NH1 2.74Å; D1479-R1561 PolarHBondContact OD1-NH1 3.23Å; D1479-R1561 IonicContact OD2-NH1 2.68Å; D1479-R1561 PolarHBondContact OD2-NH1 3.46Å; W1553-R1561 HydrophobicContact CD2-CG 4.35Å; W1553-R1561 HydrophobicContact CZ2-CB 3.8Å; W1553-R1561 HydrophobicContact CZ2-CG 4.27Å; W1553-R1561 PolarHBondContact NE1-O 3.14Å; W1553-R1561 WeakPolarHBondContact O-CG 3.37Å; Q1554-R1561 PolarHBondContact O-NE 2.92Å; Q1554-R1561 PolarHBondContact O-NH2 3.43Å; K1556-R1561 HydrophobicContact CB-CG 4.06Å; K1556-R1561 PolarHBondContact O-NE 2.72Å; K1556-R1561 PolarHBondContact O-NH2 3.42Å; S1557-R1561 PolarHBondContact O-N 3.19Å; S1558-R1561 PolarHBondContact O-N 2.69Å; R1561-N1564 PolarHBondContact O-N 3.18Å; R1561-A1565 WeakPolarHBondContact O-CB 3.42Å; R1561-A1565 PolarHBondContact O-N 2.82Å
1562L86.1Confident82.3Confident34 Ų3454.3 Ų54.318%0.17830%0.302CS..Hα-helixtrans-61.9-49.1176.7-178.662.8000111.6L1478 C1481 L1485 S1558 N1564 A1565 V1566L1478-L1562 HydrophobicContact CD2-CD2 3.54Å; C1481-L1562 HydrophobicContact CB-CD1 4.24Å; L1485-L1562 HydrophobicContact CD1-CD1 3.73Å; S1558-L1562 PolarHBondContact O-N 3.38Å; L1562-N1564 VanDerWaalsContact C-N 3.33Å; L1562-N1564 PolarHBondContact O-N 3.04Å; L1562-A1565 WeakPolarHBondContact O-CB 3.4Å; L1562-A1565 PolarHBondContact O-N 3.07Å; L1562-A1565 VanDerWaalsContact O-N 3.1Å; L1562-V1566 HydrophobicContact CD1-CG2 4.31Å; L1562-V1566 WeakPolarHBondContact O-CG2 3.37Å; L1562-V1566 PolarHBondContact O-N 2.85Å
1563L83.9Confident82.5Confident110 Ų11055 Ų5558%0.57630%0.303SS*.Hα-helixtrans-59.1-43.9178.4-176.764000111.9A1559 V1566 V1567A1559-L1563 WeakPolarHBondContact O-CB 3.3Å; A1559-L1563 PolarHBondContact O-N 3.43Å; L1563-V1566 PolarHBondContact O-N 2.94Å; L1563-V1567 WeakPolarHBondContact O-CG2 3.19Å; L1563-V1567 PolarHBondContact O-N 2.7Å
1564N83Confident82.8Confident44 Ų4454.4 Ų54.424%0.23530%0.302CS..Hα-helixtrans-65.7-36.7175.2-74.9-47.4000112.3T1560 R1561 L1562 N1568T1560-N1564 VanDerWaalsContact O-CB 3.29Å; T1560-N1564 WeakPolarHBondContact O-CB 3.35Å; T1560-N1564 VanDerWaalsContact O-CG 3.25Å; T1560-N1564 PolarHBondContact O-N 3.18Å; T1560-N1564 PolarHBondContact O-ND2 3.06Å; R1561-N1564 PolarHBondContact O-N 3.18Å; L1562-N1564 VanDerWaalsContact C-N 3.33Å; L1562-N1564 PolarHBondContact O-N 3.04Å; N1564-N1568 VanDerWaalsContact O-CB 3.24Å; N1564-N1568 WeakPolarHBondContact O-CB 3.18Å; N1564-N1568 PolarHBondContact O-N 2.99Å; N1564-N1568 PolarHBondContact O-ND2 3.21Å
1565A85.2Confident83.2Confident0 Ų051.5 Ų51.50%029%0.29CS..Hα-helixtrans-65.5-42.8175.400000111.7L1485 N1486 R1561 L1562 N1568 C1569L1485-A1565 HydrophobicContact CB-CB 3.84Å; N1486-A1565 HydrophobicContact CB-CB 4.24Å; R1561-A1565 WeakPolarHBondContact O-CB 3.42Å; R1561-A1565 PolarHBondContact O-N 2.82Å; L1562-A1565 WeakPolarHBondContact O-CB 3.4Å; L1562-A1565 PolarHBondContact O-N 3.07Å; L1562-A1565 VanDerWaalsContact O-N 3.1Å; A1565-N1568 PolarHBondContact O-N 3.47Å; A1565-C1569 WeakPolarHBondContact O-CB 3.43Å; A1565-C1569 PolarHBondContact O-N 3.38Å
1566V85.9Confident83.4Confident55 Ų5548.4 Ų48.433%0.33328%0.278SS..Hα-helixtrans-63.2-47.4175173.10000111.6L1485 L1562 L1563 N1568 C1569 I1570L1485-V1566 HydrophobicContact CD1-CG2 3.7Å; L1562-V1566 HydrophobicContact CD1-CG2 4.31Å; L1562-V1566 WeakPolarHBondContact O-CG2 3.37Å; L1562-V1566 PolarHBondContact O-N 2.85Å; L1563-V1566 PolarHBondContact O-N 2.94Å; V1566-N1568 VanDerWaalsContact C-N 3.33Å; V1566-N1568 PolarHBondContact O-N 2.97Å; V1566-C1569 WeakPolarHBondContact O-CB 3.29Å; V1566-C1569 PolarHBondContact O-N 2.95Å; V1566-C1569 VanDerWaalsContact O-N 3.14Å; V1566-I1570 HydrophobicContact CG1-CD1 3.97Å; V1566-I1570 WeakPolarHBondContact O-CG1 3.22Å; V1566-I1570 PolarHBondContact O-N 3.1Å
1567V84.9Confident83.8Confident84 Ų8448.1 Ų48.151%0.50928%0.279SS..Hα-helixtrans-63.4-39.6178171.30000111.4L1563 C1569 G1571L1563-V1567 WeakPolarHBondContact O-CG2 3.19Å; L1563-V1567 PolarHBondContact O-N 2.7Å; V1567-C1569 VanDerWaalsContact C-N 3.34Å; V1567-G1571 PolarHBondContact O-N 3.16Å
1568N85.2Confident84.3Confident36 Ų3645.4 Ų45.419%0.19326%0.259CS..Hα-helixtrans-67.8-32.2174.1-74-26.5000112.6C1489 H1492 N1564 A1565 V1566 G1571 A1572C1489-N1568 HydrophobicContact CB-CB 4.03Å; H1492-N1568 PolarHBondContact ND1-O 2.96Å; N1564-N1568 VanDerWaalsContact O-CB 3.24Å; N1564-N1568 WeakPolarHBondContact O-CB 3.18Å; N1564-N1568 PolarHBondContact O-N 2.99Å; N1564-N1568 PolarHBondContact O-ND2 3.21Å; A1565-N1568 PolarHBondContact O-N 3.47Å; V1566-N1568 VanDerWaalsContact C-N 3.33Å; V1566-N1568 PolarHBondContact O-N 2.97Å; N1568-G1571 PolarHBondContact O-N 3.46Å; N1568-A1572 VanDerWaalsContact O-CB 3.27Å; N1568-A1572 WeakPolarHBondContact O-CB 3.37Å; N1568-A1572 PolarHBondContact O-N 3.45Å
1569C86.6Confident85Confident28 Ų2844.2 Ų44.219%0.18925%0.25CS..Hα-helixtrans-68-48.6176.9-169.90000111.5C1489 A1565 V1566 V1567 G1571 A1572 H1573C1489-C1569 WeakPolarHBondContact SG-CA 3.3Å; C1489-C1569 WeakPolarHBondContact SG-CB 3.33Å; C1489-C1569 PolarHBondContact SG-N 2.85Å; A1565-C1569 WeakPolarHBondContact O-CB 3.43Å; A1565-C1569 PolarHBondContact O-N 3.38Å; V1566-C1569 WeakPolarHBondContact O-CB 3.29Å; V1566-C1569 PolarHBondContact O-N 2.95Å; V1566-C1569 VanDerWaalsContact O-N 3.14Å; V1567-C1569 VanDerWaalsContact C-N 3.34Å; C1569-G1571 VanDerWaalsContact C-N 3.27Å; C1569-G1571 PolarHBondContact O-N 2.92Å; C1569-A1572 PolarHBondContact O-N 2.7Å; C1569-H1573 PolarHBondContact O-N 2.91Å
1570I86.4Confident85.6Confident81 Ų8145.1 Ų45.142%0.41524%0.242SC..Hα-helixtrans-60.7-39.8174.3-66168.7000110.3V1566 T1574 L1577 F1682V1566-I1570 HydrophobicContact CG1-CD1 3.97Å; V1566-I1570 WeakPolarHBondContact O-CG1 3.22Å; V1566-I1570 PolarHBondContact O-N 3.1Å; I1570-T1574 WeakPolarHBondContact O-CG2 3.33Å; I1570-L1577 HydrophobicContact CG2-CD1 3.99Å; I1570-F1682 HydrophobicContact CG2-CE1 4.15Å
1571G84.1Confident86.2Confident4 Ų445.5 Ų45.54%0.04124%0.241CC..Hα-helixtrans-66.3-36.917500000114.2V1567 N1568 C1569V1567-G1571 PolarHBondContact O-N 3.16Å; N1568-G1571 PolarHBondContact O-N 3.46Å; C1569-G1571 VanDerWaalsContact C-N 3.27Å; C1569-G1571 PolarHBondContact O-N 2.92Å
1572A83Confident86.5Confident31 Ų3143.7 Ų43.726%0.25623%0.234SC..Hα-helixtrans-70-43.8179.300000112.9H1492 N1568 C1569H1492-A1572 HydrophobicContact CB-CB 3.62Å; N1568-A1572 VanDerWaalsContact O-CB 3.27Å; N1568-A1572 WeakPolarHBondContact O-CB 3.37Å; N1568-A1572 PolarHBondContact O-N 3.45Å; C1569-A1572 PolarHBondContact O-N 2.7Å
1573H85.2Confident86.7Confident72 Ų7242.2 Ų42.233%0.33323%0.227SC..THydrogen-bonded Turntrans-108.238.9-170.9-63.5-61.4000113.6C1569 D1575 I1576 L1577C1569-H1573 PolarHBondContact O-N 2.91Å; H1573-D1575 PolarHBondContact O-N 2.74Å; H1573-I1576 HydrophobicContact CB-CD1 4.3Å; H1573-I1576 PolarHBondContact O-N 3.46Å; H1573-L1577 WeakPolarHBondContact O-CG 3.41Å; H1573-L1577 PolarHBondContact O-N 2.85Å
1574T88.6Confident86.9Confident9 Ų937.9 Ų37.96%0.05520%0.203CC..Hα-helixtrans-65.6-25179.244.50000114I1570 C1578 F1682 H1683 M1686I1570-T1574 WeakPolarHBondContact O-CG2 3.33Å; T1574-C1578 PolarHBondContact O-N 3.12Å; T1574-C1578 PolarHBondContact O-SG 3.31Å; T1574-F1682 HydrophobicContact CG2-CD1 3.64Å; T1574-F1682 HydrophobicContact CG2-CE1 3.42Å; T1574-F1682 VanDerWaalsContact CG2-CE1 3.42Å; T1574-H1683 WeakPolarHBondContact CB-ND1 3.37Å; T1574-H1683 PolarHBondContact OG1-ND1 3.36Å; T1574-M1686 HydrophobicContact CG2-CB 4.46Å; T1574-M1686 HydrophobicContact CG2-CG 4.11Å
1575D86.8Confident87.2Confident48 Ų4835.8 Ų35.826%0.25719%0.192SC..Hα-helixtrans-69.4-48.7174.958.1-23.2000112.1H1573 L1577 C1578 Y1579 W1617H1573-D1575 PolarHBondContact O-N 2.74Å; D1575-L1577 VanDerWaalsContact C-N 3.27Å; D1575-L1577 PolarHBondContact O-N 3.2Å; D1575-C1578 WeakPolarHBondContact O-CB 3.49Å; D1575-C1578 PolarHBondContact O-N 2.78Å; D1575-C1578 VanDerWaalsContact O-N 3.1Å; D1575-Y1579 PolarHBondContact O-N 2.96Å; D1575-W1617 HydrophobicContact CB-CH2 4.13Å; D1575-W1617 HydrophobicContact CB-CZ2 4.03Å
1576I84.8Confident87.4Confident91 Ų9135.8 Ų35.847%0.46719%0.192SC..Hα-helixtrans-60.8-39176-59.8175.8000110.4H1573 Y1579 F1580H1573-I1576 HydrophobicContact CB-CD1 4.3Å; H1573-I1576 PolarHBondContact O-N 3.46Å; I1576-Y1579 PolarHBondContact O-N 3.49Å; I1576-F1580 WeakPolarHBondContact O-CB 3.42Å; I1576-F1580 PolarHBondContact O-N 2.69Å
1577L86.3Confident87.4Confident56 Ų5633.5 Ų33.529%0.29318%0.179SC..Hα-helixtrans-61.4-42.5174-71.2172.6000112.1I1570 H1573 D1575 F1580 F1581I1570-L1577 HydrophobicContact CG2-CD1 3.99Å; H1573-L1577 WeakPolarHBondContact O-CG 3.41Å; H1573-L1577 PolarHBondContact O-N 2.85Å; D1575-L1577 VanDerWaalsContact C-N 3.27Å; D1575-L1577 PolarHBondContact O-N 3.2Å; L1577-F1580 PolarHBondContact O-N 2.74Å; L1577-F1581 HydrophobicContact CB-CE2 4.39Å; L1577-F1581 WeakPolarHBondContact O-CD2 2.85Å; L1577-F1581 PolarHBondContact O-N 2.94Å
1578C91.2Very high87.4Confident0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-63.3-41.4175.5-66.60000112T1574 D1575 F1581 A1582 W1617 L1676 S1679 L1680T1574-C1578 PolarHBondContact O-N 3.12Å; T1574-C1578 PolarHBondContact O-SG 3.31Å; D1575-C1578 WeakPolarHBondContact O-CB 3.49Å; D1575-C1578 PolarHBondContact O-N 2.78Å; D1575-C1578 VanDerWaalsContact O-N 3.1Å; C1578-F1581 PolarHBondContact O-N 2.77Å; C1578-A1582 WeakPolarHBondContact O-CB 3.49Å; C1578-A1582 PolarHBondContact O-N 3.04Å; C1578-W1617 HydrophobicContact CB-CH2 4.03Å; C1578-W1617 HydrophobicContact CB-CZ3 3.73Å; C1578-L1676 WeakPolarHBondContact O-CD1 3.36Å; C1578-S1679 PolarHBondContact SG-OG 3.03Å; C1578-S1679 VanDerWaalsContact SG-OG 3.39Å; C1578-L1680 HydrophobicContact CB-CD2 4.11Å
1579Y90Very high87.1Confident6 Ų631.7 Ų31.72%0.02417%0.165CC..Hα-helixtrans-65.9-41.3176.2-58.6-26.4000112.2D1575 I1576 A1582 I1583 G1605 N1606 P1612 F1616 W1617 L1905D1575-Y1579 PolarHBondContact O-N 2.96Å; I1576-Y1579 PolarHBondContact O-N 3.49Å; Y1579-A1582 PolarHBondContact O-N 3.27Å; Y1579-I1583 WeakPolarHBondContact O-CG1 3.23Å; Y1579-I1583 PolarHBondContact O-N 3.44Å; Y1579-G1605 VanDerWaalsContact OH-C 3.25Å; Y1579-G1605 VanDerWaalsContact OH-CA 3.29Å; Y1579-G1605 WeakPolarHBondContact OH-CA 3Å; Y1579-G1605 PolarHBondContact OH-O 2.71Å; Y1579-N1606 HydrophobicContact CE2-CB 4.39Å; Y1579-P1612 WeakPolarHBondContact OH-CG 3.3Å; Y1579-F1616 AromaticContact CE1-CE1 3.88Å; Y1579-F1616 HydrophobicContact CE1-CE1 3.88Å; Y1579-F1616 AromaticContact CE1-CZ 3.79Å; Y1579-F1616 HydrophobicContact CE1-CZ 3.79Å; Y1579-W1617 HydrophobicContact CD1-CH2 4.43Å; Y1579-W1617 AromaticContact CE1-CH2 3.72Å; Y1579-W1617 HydrophobicContact CE1-CH2 3.72Å; Y1579-W1617 HydrophobicContact CE1-CZ2 4.35Å; Y1579-W1617 HydrophobicContact CE1-CZ3 4.4Å; Y1579-L1905 HydrophobicContact CD2-CD2 4.4Å
1580F88.1Confident86.5Confident85 Ų8531.1 Ų31.137%0.37316%0.164SC..Hα-helixtrans-60.1-48174.6177.1-101.3000111.4I1576 L1577 A1582 I1583 M1584I1576-F1580 WeakPolarHBondContact O-CB 3.42Å; I1576-F1580 PolarHBondContact O-N 2.69Å; L1577-F1580 PolarHBondContact O-N 2.74Å; F1580-A1582 VanDerWaalsContact C-N 3.32Å; F1580-A1582 PolarHBondContact O-N 3.31Å; F1580-I1583 PolarHBondContact O-N 2.72Å; F1580-M1584 HydrophobicContact CD1-CG 4.02Å; F1580-M1584 HydrophobicContact CD2-CG 4.48Å; F1580-M1584 HydrophobicContact CE1-CG 3.58Å; F1580-M1584 HydrophobicContact CE1-SD 4.23Å; F1580-M1584 HydrophobicContact CE2-CE 4.21Å; F1580-M1584 HydrophobicContact CE2-CG 4.08Å; F1580-M1584 HydrophobicContact CE2-SD 4.16Å; F1580-M1584 HydrophobicContact CG-CG 4.45Å; F1580-M1584 HydrophobicContact CZ-CE 4.35Å; F1580-M1584 HydrophobicContact CZ-CG 3.61Å; F1580-M1584 HydrophobicContact CZ-SD 3.7Å; F1580-M1584 VanDerWaalsContact O-CG 3.32Å; F1580-M1584 WeakPolarHBondContact O-CG 3.49Å; F1580-M1584 PolarHBondContact O-N 3.09Å
1581F91.1Very high86.2Confident43 Ų4327.3 Ų27.319%0.18915%0.145CC..Hα-helixtrans-67.2-30.2177.4-67.5-52.6000113.2L1577 C1578 M1584 T1585 V1675 L1676 S1679L1577-F1581 HydrophobicContact CB-CE2 4.39Å; L1577-F1581 WeakPolarHBondContact O-CD2 2.85Å; L1577-F1581 PolarHBondContact O-N 2.94Å; C1578-F1581 PolarHBondContact O-N 2.77Å; F1581-M1584 PolarHBondContact O-N 3.18Å; F1581-T1585 WeakPolarHBondContact O-CB 3.24Å; F1581-T1585 PolarHBondContact O-N 3.28Å; F1581-T1585 PolarHBondContact O-OG1 3.49Å; F1581-V1675 HydrophobicContact CD1-CG1 3.73Å; F1581-V1675 HydrophobicContact CD2-CG1 4.33Å; F1581-V1675 HydrophobicContact CE1-CG1 3.65Å; F1581-V1675 HydrophobicContact CE2-CG1 4.25Å; F1581-V1675 HydrophobicContact CG-CG1 4.09Å; F1581-V1675 HydrophobicContact CZ-CG1 3.92Å; F1581-L1676 HydrophobicContact CB-CB 4.23Å; F1581-L1676 HydrophobicContact CB-CD1 3.81Å; F1581-S1679 WeakPolarHBondContact CD2-OG 3.44Å
1582A91Very high86.3Confident0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-64.1-44.3171.800000112C1578 Y1579 F1580 T1585 Q1586 L1597 M1620 L1676C1578-A1582 WeakPolarHBondContact O-CB 3.49Å; C1578-A1582 PolarHBondContact O-N 3.04Å; Y1579-A1582 PolarHBondContact O-N 3.27Å; F1580-A1582 VanDerWaalsContact C-N 3.32Å; F1580-A1582 PolarHBondContact O-N 3.31Å; A1582-T1585 PolarHBondContact O-N 3.25Å; A1582-Q1586 PolarHBondContact O-N 2.87Å; A1582-L1597 HydrophobicContact CB-CB 4.24Å; A1582-M1620 HydrophobicContact CB-CE 3.82Å; A1582-L1676 HydrophobicContact CB-CD1 4.32Å; A1582-L1676 HydrophobicContact CB-CD2 4.39Å
1583I90.3Very high86.5Confident4 Ų431.4 Ų31.42%0.02116%0.16CC..Hα-helixtrans-65-44.9174.4-66.3161.2000110.6Y1579 F1580 T1585 Q1586 V1587 P1598 Y1897 L1905Y1579-I1583 WeakPolarHBondContact O-CG1 3.23Å; Y1579-I1583 PolarHBondContact O-N 3.44Å; F1580-I1583 PolarHBondContact O-N 2.72Å; I1583-T1585 VanDerWaalsContact C-N 3.33Å; I1583-T1585 PolarHBondContact O-N 2.89Å; I1583-Q1586 PolarHBondContact O-N 3.43Å; I1583-V1587 HydrophobicContact CG2-CG2 4.41Å; I1583-V1587 VanDerWaalsContact O-CG2 3.23Å; I1583-V1587 WeakPolarHBondContact O-CG2 3.35Å; I1583-V1587 PolarHBondContact O-N 3.2Å; I1583-P1598 HydrophobicContact CG1-CB 4.09Å; I1583-Y1897 HydrophobicContact CG2-CD1 4.42Å; I1583-Y1897 HydrophobicContact CG2-CE1 3.97Å; I1583-L1905 HydrophobicContact CD1-CD1 3.87Å
1584M88.1Confident86.6Confident18 Ų1828 Ų289%0.08915%0.145CC..Hα-helixtrans-59.9-40.5176.1-71.2-66.188.500112.8F1580 F1581 Q1586 V1587 M1588 W1672 V1898F1580-M1584 HydrophobicContact CD1-CG 4.02Å; F1580-M1584 HydrophobicContact CD2-CG 4.48Å; F1580-M1584 HydrophobicContact CE1-CG 3.58Å; F1580-M1584 HydrophobicContact CE1-SD 4.23Å; F1580-M1584 HydrophobicContact CE2-CE 4.21Å; F1580-M1584 HydrophobicContact CE2-CG 4.08Å; F1580-M1584 HydrophobicContact CE2-SD 4.16Å; F1580-M1584 HydrophobicContact CG-CG 4.45Å; F1580-M1584 HydrophobicContact CZ-CE 4.35Å; F1580-M1584 HydrophobicContact CZ-CG 3.61Å; F1580-M1584 HydrophobicContact CZ-SD 3.7Å; F1580-M1584 VanDerWaalsContact O-CG 3.32Å; F1580-M1584 WeakPolarHBondContact O-CG 3.49Å; F1580-M1584 PolarHBondContact O-N 3.09Å; F1581-M1584 PolarHBondContact O-N 3.18Å; M1584-Q1586 VanDerWaalsContact C-N 3.32Å; M1584-Q1586 PolarHBondContact O-N 3.05Å; M1584-V1587 HydrophobicContact CE-CB 4.44Å; M1584-V1587 HydrophobicContact CE-CG2 4.13Å; M1584-V1587 PolarHBondContact O-N 3.06Å; M1584-M1588 VanDerWaalsContact O-CG 3.29Å; M1584-M1588 WeakPolarHBondContact O-CG 3.12Å; M1584-M1588 PolarHBondContact O-N 3.31Å; M1584-W1672 HydrophobicContact CB-CE3 4.23Å; M1584-W1672 HydrophobicContact CB-CZ3 4.38Å; M1584-V1898 HydrophobicContact CE-CB 4.21Å; M1584-V1898 HydrophobicContact CE-CG1 3.86Å; M1584-V1898 HydrophobicContact CE-CG2 3.22Å
1585T88.9Confident86.6Confident0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-59.2-44.9177.2-58.70000110.4F1581 A1582 I1583 T1589 T1594 L1597 D1673F1581-T1585 WeakPolarHBondContact O-CB 3.24Å; F1581-T1585 PolarHBondContact O-N 3.28Å; F1581-T1585 PolarHBondContact O-OG1 3.49Å; A1582-T1585 PolarHBondContact O-N 3.25Å; I1583-T1585 VanDerWaalsContact C-N 3.33Å; I1583-T1585 PolarHBondContact O-N 2.89Å; T1585-T1589 WeakPolarHBondContact O-CB 3.2Å; T1585-T1589 WeakPolarHBondContact O-CG2 3.48Å; T1585-T1589 PolarHBondContact O-N 2.98Å; T1585-T1589 VanDerWaalsContact O-N 3.15Å; T1585-T1589 PolarHBondContact O-OG1 3.19Å; T1585-T1594 HydrophobicContact CG2-CG2 4.01Å; T1585-L1597 HydrophobicContact CG2-CD1 4.22Å; T1585-D1673 WeakPolarHBondContact CG2-OD1 3.42Å
1586Q89.2Confident86.8Confident1 Ų129.2 Ų29.21%0.00515%0.153CC..Hα-helixtrans-64.3-42175.1-178.660.717.100112.9A1582 I1583 M1584 M1588 G1590 G1591 T1594 P1598 F1876A1582-Q1586 PolarHBondContact O-N 2.87Å; I1583-Q1586 PolarHBondContact O-N 3.43Å; M1584-Q1586 VanDerWaalsContact C-N 3.32Å; M1584-Q1586 PolarHBondContact O-N 3.05Å; Q1586-M1588 VanDerWaalsContact C-N 3.34Å; Q1586-M1588 PolarHBondContact O-N 2.72Å; Q1586-G1590 WeakPolarHBondContact O-CA 3.26Å; Q1586-G1590 PolarHBondContact O-N 3.26Å; Q1586-G1591 PolarHBondContact NE2-O 3.01Å; Q1586-G1591 PolarHBondContact OE1-O 3.48Å; Q1586-G1591 VanDerWaalsContact OE1-O 3.08Å; Q1586-T1594 PolarHBondContact OE1-O 3.2Å; Q1586-T1594 PolarHBondContact OE1-OG1 3.09Å; Q1586-P1598 HydrophobicContact CB-CG 3.85Å; Q1586-P1598 HydrophobicContact CG-CG 4.02Å; Q1586-F1876 HydrophobicContact CG-CE1 4.31Å; Q1586-F1876 HydrophobicContact CG-CE2 4.06Å; Q1586-F1876 HydrophobicContact CG-CZ 3.6Å
1587V86.3Confident87Confident7 Ų725 Ų254%0.04213%0.131CC..Hα-helixtrans-61.4-41.3-179172.30000112I1583 M1584 Q1894 Y1897 V1898I1583-V1587 HydrophobicContact CG2-CG2 4.41Å; I1583-V1587 VanDerWaalsContact O-CG2 3.23Å; I1583-V1587 WeakPolarHBondContact O-CG2 3.35Å; I1583-V1587 PolarHBondContact O-N 3.2Å; M1584-V1587 HydrophobicContact CE-CB 4.44Å; M1584-V1587 HydrophobicContact CE-CG2 4.13Å; M1584-V1587 PolarHBondContact O-N 3.06Å; V1587-Q1894 HydrophobicContact CG1-CB 3.78Å; V1587-Q1894 HydrophobicContact CG1-CG 3.81Å; V1587-Y1897 HydrophobicContact CG2-CD1 3.44Å; V1587-Y1897 VanDerWaalsContact CG2-CD1 3.44Å; V1587-Y1897 HydrophobicContact CG2-CE1 3.79Å; V1587-V1898 HydrophobicContact CG1-CG2 4.31Å; V1587-V1898 HydrophobicContact CG2-CG2 3.62Å
1588M83.3Confident87Confident66 Ų6622.3 Ų22.333%0.32512%0.117SC..Hα-helixtrans-85.6-27.8-172.7-63-68.5166.600113.3M1584 Q1586 W1672M1584-M1588 VanDerWaalsContact O-CG 3.29Å; M1584-M1588 WeakPolarHBondContact O-CG 3.12Å; M1584-M1588 PolarHBondContact O-N 3.31Å; Q1586-M1588 VanDerWaalsContact C-N 3.34Å; Q1586-M1588 PolarHBondContact O-N 2.72Å; M1588-W1672 HydrophobicContact CB-CG 4.26Å; M1588-W1672 HydrophobicContact CE-CZ2 4.5Å; M1588-W1672 HydrophobicContact CG-CD2 4.31Å; M1588-W1672 HydrophobicContact CG-CG 4.29Å; M1588-W1672 HydrophobicContact CG-CZ2 4.38Å
1589T79.8Confident86.9Confident15 Ų1524.3 Ų24.39%0.09213%0.128CC..Hα-helixtrans-97.7-27.4-179.760.50000113.1T1585 G1591 T1594 I1888T1585-T1589 WeakPolarHBondContact O-CB 3.2Å; T1585-T1589 WeakPolarHBondContact O-CG2 3.48Å; T1585-T1589 PolarHBondContact O-N 2.98Å; T1585-T1589 VanDerWaalsContact O-N 3.15Å; T1585-T1589 PolarHBondContact O-OG1 3.19Å; T1589-G1591 PolarHBondContact O-N 2.77Å; T1589-T1594 PolarHBondContact OG1-OG1 3.47Å; T1589-I1888 WeakPolarHBondContact O-CD1 3.31Å
1590G75.1Confident86.9Confident16 Ų1625.7 Ų25.717%0.16514%0.135CC..  trans64.34.4176.800000115.9Q1586Q1586-G1590 WeakPolarHBondContact O-CA 3.26Å; Q1586-G1590 PolarHBondContact O-N 3.26Å
1591G79.3Confident86.9Confident1 Ų121.7 Ų21.71%0.0112%0.117CC..  trans-87.7159.1-166.200000115Q1586 T1589 I1593 T1594 L1595Q1586-G1591 PolarHBondContact NE2-O 3.01Å; Q1586-G1591 PolarHBondContact OE1-O 3.48Å; Q1586-G1591 VanDerWaalsContact OE1-O 3.08Å; T1589-G1591 PolarHBondContact O-N 2.77Å; G1591-I1593 VanDerWaalsContact C-N 3.35Å; G1591-T1594 PolarHBondContact O-OG1 3.22Å; G1591-L1595 PolarHBondContact O-N 2.89Å
1592L85.3Confident86.7Confident84 Ų8419.6 Ų19.644%0.4411%0.108SC..THydrogen-bonded Turntrans-74.7-24.8173.5-152.6131.3000112.4L1595 P1596 L1660 F1661L1592-L1595 WeakPolarHBondContact O-CB 3.41Å; L1592-L1595 PolarHBondContact O-N 3.17Å; L1592-P1596 WeakPolarHBondContact O-CD 3.44Å; L1592-L1660 WeakPolarHBondContact CB-O 3.49Å; L1592-L1660 HydrophobicContact CD1-CD1 4.49Å; L1592-L1660 PolarHBondContact N-O 3.47Å; L1592-F1661 HydrophobicContact CB-CD1 4.38Å
1593I87.8Confident86.4Confident37 Ų3723 Ų2319%0.1912%0.123CC..THydrogen-bonded Turntrans-69.2-33.2174.9-65.4-179000111.8G1591 P1596 Y1623 V1627 F1661 V1663G1591-I1593 VanDerWaalsContact C-N 3.35Å; I1593-P1596 WeakPolarHBondContact O-CD 3.14Å; I1593-Y1623 WeakPolarHBondContact O-CE1 3.4Å; I1593-Y1623 PolarHBondContact O-OH 3.41Å; I1593-V1627 HydrophobicContact CG2-CG1 4.39Å; I1593-V1627 HydrophobicContact CG2-CG2 3.86Å; I1593-F1661 HydrophobicContact CD1-CB 4.06Å; I1593-F1661 HydrophobicContact CD1-CD1 4.39Å; I1593-F1661 HydrophobicContact CG1-CB 4.18Å; I1593-F1661 HydrophobicContact CG1-CD1 3.99Å; I1593-F1661 WeakPolarHBondContact CG1-O 3.13Å; I1593-F1661 PolarHBondContact N-O 3.39Å; I1593-V1663 HydrophobicContact CD1-CG2 3.55Å
1594T88.5Confident86.3Confident1 Ų127 Ų271%0.00614%0.138CC..THydrogen-bonded Turntrans-85.9-18.5178.942.50000112.9T1585 Q1586 T1589 G1591 P1596 L1597 P1598 V1627T1585-T1594 HydrophobicContact CG2-CG2 4.01Å; Q1586-T1594 PolarHBondContact OE1-O 3.2Å; Q1586-T1594 PolarHBondContact OE1-OG1 3.09Å; T1589-T1594 PolarHBondContact OG1-OG1 3.47Å; G1591-T1594 PolarHBondContact O-OG1 3.22Å; T1594-P1596 VanDerWaalsContact C-CD 3.42Å; T1594-P1596 VanDerWaalsContact C-N 3.35Å; T1594-L1597 VanDerWaalsContact O-CB 3.31Å; T1594-L1597 WeakPolarHBondContact O-CB 3.35Å; T1594-L1597 PolarHBondContact O-N 3.49Å; T1594-P1598 VanDerWaalsContact O-CD 3.29Å; T1594-P1598 WeakPolarHBondContact O-CD 3.44Å; T1594-V1627 HydrophobicContact CG2-CG1 4.48Å
1595L87.5Confident86.1Confident39 Ų3926.1 Ų26.120%0.20413%0.134CC..THydrogen-bonded Turntrans-53.9-36.3-178.1-168.797.4000114.6G1591 L1592 L1597 P1598 L1599 F1876G1591-L1595 PolarHBondContact O-N 2.89Å; L1592-L1595 WeakPolarHBondContact O-CB 3.41Å; L1592-L1595 PolarHBondContact O-N 3.17Å; L1595-L1597 PolarHBondContact O-N 2.04Å; L1595-P1598 VanDerWaalsContact O-CD 3.24Å; L1595-P1598 WeakPolarHBondContact O-CD 3.17Å; L1595-P1598 WeakPolarHBondContact O-CG 3.4Å; L1595-L1599 HydrophobicContact CD2-CD1 3.79Å; L1595-L1599 HydrophobicContact CG-CD1 3.96Å; L1595-L1599 HydrophobicContact CG-CG 4.49Å; L1595-L1599 WeakPolarHBondContact O-CG 3.36Å; L1595-L1599 PolarHBondContact O-N 2.84Å; L1595-F1876 HydrophobicContact CD1-CD2 4.07Å; L1595-F1876 HydrophobicContact CD1-CE2 4.31Å
1596P90.3Very high85.8Confident43 Ų4327 Ų2728%0.27914%0.139SC..Hα-helixtrans-61.2-27.1175.4-27.839.1000114.3L1592 I1593 T1594 L1599 M1600 Y1623L1592-P1596 WeakPolarHBondContact O-CD 3.44Å; I1593-P1596 WeakPolarHBondContact O-CD 3.14Å; T1594-P1596 VanDerWaalsContact C-CD 3.42Å; T1594-P1596 VanDerWaalsContact C-N 3.35Å; P1596-L1599 PolarHBondContact O-N 2.69Å; P1596-M1600 VanDerWaalsContact O-CB 3.31Å; P1596-M1600 WeakPolarHBondContact O-CB 3.26Å; P1596-M1600 VanDerWaalsContact O-CG 3.23Å; P1596-M1600 WeakPolarHBondContact O-CG 3.44Å; P1596-M1600 PolarHBondContact O-N 3.47Å; P1596-Y1623 HydrophobicContact CB-CE1 4.41Å
1597L89.9Confident85.5Confident2 Ų227.4 Ų27.41%0.0114%0.141CC..Hα-helixtrans-61.6-57.1-178.6-66.7168.8000113A1582 T1585 T1594 L1595 S1601 Y1623 T1624 L1676A1582-L1597 HydrophobicContact CB-CB 4.24Å; T1585-L1597 HydrophobicContact CG2-CD1 4.22Å; T1594-L1597 VanDerWaalsContact O-CB 3.31Å; T1594-L1597 WeakPolarHBondContact O-CB 3.35Å; T1594-L1597 PolarHBondContact O-N 3.49Å; L1595-L1597 PolarHBondContact O-N 2.04Å; L1597-S1601 PolarHBondContact O-N 3.05Å; L1597-Y1623 HydrophobicContact CD2-CD1 3.78Å; L1597-Y1623 HydrophobicContact CD2-CE1 4.38Å; L1597-Y1623 HydrophobicContact CG-CD1 4.11Å; L1597-Y1623 HydrophobicContact CG-CE1 4.21Å; L1597-T1624 HydrophobicContact CD1-CG2 4.41Å; L1597-T1624 HydrophobicContact CD2-CG2 3.85Å; L1597-L1676 HydrophobicContact CD1-CD2 3.98Å; L1597-L1676 HydrophobicContact CD2-CD2 4.4Å
1598P87Confident85.1Confident0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-65.8-37174.826.2-35000112.2I1583 Q1586 T1594 L1595 M1600 S1601 L1602I1583-P1598 HydrophobicContact CG1-CB 4.09Å; Q1586-P1598 HydrophobicContact CB-CG 3.85Å; Q1586-P1598 HydrophobicContact CG-CG 4.02Å; T1594-P1598 VanDerWaalsContact O-CD 3.29Å; T1594-P1598 WeakPolarHBondContact O-CD 3.44Å; L1595-P1598 VanDerWaalsContact O-CD 3.24Å; L1595-P1598 WeakPolarHBondContact O-CD 3.17Å; L1595-P1598 WeakPolarHBondContact O-CG 3.4Å; P1598-M1600 PolarHBondContact O-N 2.94Å; P1598-S1601 WeakPolarHBondContact CA-OG 3.42Å; P1598-S1601 PolarHBondContact O-N 3.21Å; P1598-S1601 VanDerWaalsContact O-N 3.14Å; P1598-S1601 PolarHBondContact O-OG 3.16Å; P1598-L1602 WeakPolarHBondContact O-CB 3.39Å; P1598-L1602 WeakPolarHBondContact O-CG 2.94Å; P1598-L1602 PolarHBondContact O-N 3.16Å
1599L88.1Confident84.4Confident43 Ų4327 Ų2723%0.22514%0.141CC..Hα-helixtrans-61.9-41.3178.2-65.7178.5000112.4L1595 P1596 L1602 F1603 I1868L1595-L1599 HydrophobicContact CD2-CD1 3.79Å; L1595-L1599 HydrophobicContact CG-CD1 3.96Å; L1595-L1599 HydrophobicContact CG-CG 4.49Å; L1595-L1599 WeakPolarHBondContact O-CG 3.36Å; L1595-L1599 PolarHBondContact O-N 2.84Å; P1596-L1599 PolarHBondContact O-N 2.69Å; L1599-L1602 PolarHBondContact O-N 3.21Å; L1599-F1603 HydrophobicContact CB-CD2 4.37Å; L1599-F1603 HydrophobicContact CD2-CD2 4.44Å; L1599-F1603 HydrophobicContact CD2-CE2 3.93Å; L1599-F1603 WeakPolarHBondContact O-CB 3.48Å; L1599-F1603 PolarHBondContact O-N 3.09Å; L1599-I1868 HydrophobicContact CD2-CG2 4.05Å
1600M89.3Confident83.8Confident35 Ų3529.5 Ų29.517%0.17216%0.157CC..Hα-helixtrans-62.1-41.5172.8-76.317769.400112P1596 P1598 W1604 G1605 F1616 T1619P1596-M1600 VanDerWaalsContact O-CB 3.31Å; P1596-M1600 WeakPolarHBondContact O-CB 3.26Å; P1596-M1600 VanDerWaalsContact O-CG 3.23Å; P1596-M1600 WeakPolarHBondContact O-CG 3.44Å; P1596-M1600 PolarHBondContact O-N 3.47Å; P1598-M1600 PolarHBondContact O-N 2.94Å; M1600-W1604 HydrophobicContact CE-CE3 4.31Å; M1600-W1604 HydrophobicContact CE-CZ3 4.28Å; M1600-W1604 WeakPolarHBondContact O-CA 3.3Å; M1600-W1604 WeakPolarHBondContact O-CB 3.06Å; M1600-W1604 PolarHBondContact O-N 2.92Å; M1600-G1605 PolarHBondContact O-N 3.08Å; M1600-F1616 HydrophobicContact CB-CE2 4.17Å; M1600-F1616 HydrophobicContact CE-CD2 4.43Å; M1600-F1616 HydrophobicContact CE-CE2 4.49Å; M1600-T1619 HydrophobicContact CE-CG2 3.87Å
1601S88.6Confident83.6Confident0 Ų032.3 Ų32.30%016%0.163CC..Iπ-helixtrans-66.2-40.1177.270.80000113.4L1597 P1598 G1605 N1606L1597-S1601 PolarHBondContact O-N 3.05Å; P1598-S1601 WeakPolarHBondContact CA-OG 3.42Å; P1598-S1601 PolarHBondContact O-N 3.21Å; P1598-S1601 VanDerWaalsContact O-N 3.14Å; P1598-S1601 PolarHBondContact O-OG 3.16Å; S1601-G1605 PolarHBondContact O-N 2.78Å; S1601-N1606 PolarHBondContact O-N 2.94Å
1602L87.6Confident83.5Confident0 Ų033.1 Ų33.10%017%0.168CC..Iπ-helixtrans-78.6-40-176.2-69.4175.7000113.2P1598 L1599 I1868 F1904 L1905P1598-L1602 WeakPolarHBondContact O-CB 3.39Å; P1598-L1602 WeakPolarHBondContact O-CG 2.94Å; P1598-L1602 PolarHBondContact O-N 3.16Å; L1599-L1602 PolarHBondContact O-N 3.21Å; L1602-I1868 HydrophobicContact CB-CD1 4.22Å; L1602-I1868 HydrophobicContact CD1-CD1 4.38Å; L1602-I1868 HydrophobicContact CD1-CG2 4.47Å; L1602-F1904 HydrophobicContact CD2-CB 3.85Å; L1602-L1905 HydrophobicContact CD2-CD2 3.88Å; L1602-L1905 HydrophobicContact CD2-CG 4.01Å
1603F85.2Confident83.2Confident72 Ų7231.2 Ų31.232%0.31616%0.162SC..Iπ-helixtrans-93-28.9-178.2-67-46.9000114.6L1599 V1865 I1868L1599-F1603 HydrophobicContact CB-CD2 4.37Å; L1599-F1603 HydrophobicContact CD2-CD2 4.44Å; L1599-F1603 HydrophobicContact CD2-CE2 3.93Å; L1599-F1603 WeakPolarHBondContact O-CB 3.48Å; L1599-F1603 PolarHBondContact O-N 3.09Å; F1603-V1865 HydrophobicContact CE1-CG2 4.12Å; F1603-I1868 HydrophobicContact CD1-CD1 4.35Å; F1603-I1868 HydrophobicContact CE1-CB 4.29Å; F1603-I1868 HydrophobicContact CE1-CD1 3.78Å; F1603-I1868 HydrophobicContact CE1-CG2 4.11Å; F1603-I1868 HydrophobicContact CE2-CG2 4.12Å; F1603-I1868 HydrophobicContact CZ-CB 4.06Å; F1603-I1868 HydrophobicContact CZ-CD1 4.33Å; F1603-I1868 HydrophobicContact CZ-CG2 3.55Å
1604W86.4Confident83Confident86 Ų8634.4 Ų34.433%0.32617%0.174SC..Iπ-helixtrans-115.2-52-175.9-171.27.8000112.6M1600 S1608 F1615 F1616M1600-W1604 HydrophobicContact CE-CE3 4.31Å; M1600-W1604 HydrophobicContact CE-CZ3 4.28Å; M1600-W1604 WeakPolarHBondContact O-CA 3.3Å; M1600-W1604 WeakPolarHBondContact O-CB 3.06Å; M1600-W1604 PolarHBondContact O-N 2.92Å; W1604-S1608 WeakPolarHBondContact O-CB 3.48Å; W1604-S1608 PolarHBondContact O-N 2.9Å; W1604-F1615 AromaticContact CH2-CD1 3.58Å; W1604-F1615 HydrophobicContact CH2-CD1 3.58Å; W1604-F1615 AromaticContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CZ2-CD1 4.02Å; W1604-F1616 HydrophobicContact CB-CD2 4.34Å; W1604-F1616 HydrophobicContact CB-CE2 4.46Å; W1604-F1616 HydrophobicContact CD2-CB 4.46Å; W1604-F1616 AromaticContact CD2-CD2 3.82Å; W1604-F1616 HydrophobicContact CD2-CD2 3.82Å; W1604-F1616 AromaticContact CE3-CD2 3.87Å; W1604-F1616 HydrophobicContact CE3-CD2 3.87Å; W1604-F1616 HydrophobicContact CG-CD2 4.03Å; W1604-F1616 HydrophobicContact CZ2-CB 4.34Å
1605G83.8Confident82.9Confident1 Ų140.9 Ų40.91%0.0120%0.203CC..Iπ-helixtrans-55.9-63.2-176.200000112.3Y1579 M1600 S1601 S1608Y1579-G1605 VanDerWaalsContact OH-C 3.25Å; Y1579-G1605 VanDerWaalsContact OH-CA 3.29Å; Y1579-G1605 WeakPolarHBondContact OH-CA 3Å; Y1579-G1605 PolarHBondContact OH-O 2.71Å; M1600-G1605 PolarHBondContact O-N 3.08Å; S1601-G1605 PolarHBondContact O-N 2.78Å; G1605-S1608 PolarHBondContact O-OG 3.07Å
1606N83.2Confident82.9Confident17 Ų1739 Ų399%0.09119%0.193CC..THydrogen-bonded Turntrans-79.9-24.3-170.7-160.322.6000114.9Y1579 S1601 S1608 L1905 A1908 R1912Y1579-N1606 HydrophobicContact CE2-CB 4.39Å; S1601-N1606 PolarHBondContact O-N 2.94Å; N1606-S1608 VanDerWaalsContact C-N 3.33Å; N1606-L1905 HydrophobicContact CB-CD2 4.19Å; N1606-L1905 PolarHBondContact ND2-O 3.18Å; N1606-A1908 HydrophobicContact CB-CB 4.16Å; N1606-A1908 WeakPolarHBondContact ND2-CB 3.42Å; N1606-R1912 PolarHBondContact O-NH1 2.9Å; N1606-R1912 PolarHBondContact OD1-NH1 3.47Å
1607L82.4Confident83Confident11 Ų1137.4 Ų37.46%0.05818%0.181CC..THydrogen-bonded Turntrans-77.7-14.8175.6-72.6176.2000113.2F1776 L1780 L1861 A1908 I1911L1607-F1776 HydrophobicContact CB-CE1 4.41Å; L1607-F1776 HydrophobicContact CB-CZ 3.92Å; L1607-L1780 HydrophobicContact CD2-CD1 4.36Å; L1607-L1780 HydrophobicContact CD2-CD2 4.46Å; L1607-L1780 WeakPolarHBondContact O-CD1 3.28Å; L1607-L1861 HydrophobicContact CD1-CD1 4.25Å; L1607-A1908 HydrophobicContact CD2-CB 3.87Å; L1607-A1908 HydrophobicContact CG-CB 4.22Å; L1607-I1911 HydrophobicContact CD2-CB 4.25Å; L1607-I1911 HydrophobicContact CD2-CG2 4.06Å
1608S79Confident83Confident11 Ų1139 Ų398%0.07719%0.191CC..SBendtrans-71136.4176.367.30000113W1604 G1605 N1606 P1612 R1912W1604-S1608 WeakPolarHBondContact O-CB 3.48Å; W1604-S1608 PolarHBondContact O-N 2.9Å; G1605-S1608 PolarHBondContact O-OG 3.07Å; N1606-S1608 VanDerWaalsContact C-N 3.33Å; S1608-P1612 WeakPolarHBondContact OG-CA 3.39Å; S1608-R1912 VanDerWaalsContact O-CD 3.27Å; S1608-R1912 WeakPolarHBondContact O-CD 3.31Å
1609N69.1Low83.2Confident53 Ų5340.9 Ų40.928%0.28320%0.202SC..SBendtrans-123.9131.3178.9-172-16.5000109.5P1783 F1785 R1912N1609-P1783 HydrophobicContact CB-CB 4.5Å; N1609-P1783 WeakPolarHBondContact ND2-CB 3.33Å; N1609-F1785 PolarHBondContact ND2-O 3.39Å; N1609-R1912 HydrophobicContact CB-CG 3.92Å
1610P66.5Low83.3Confident68 Ų6838.9 Ų38.944%0.44219%0.192SC..SBendcis-86.6-10.1-1.734.6-36.1000114.7
1611R71Confident83.4Confident74 Ų7437.3 Ų37.328%0.27918%0.184SC..SBendtrans-154.6156.4-179.168.7-171.8-169.7-179.111.4111.5L1692 K1694 D1695R1611-L1692 PolarHBondContact NH1-O 3.09Å; R1611-L1692 PolarHBondContact NH2-O 3.31Å; R1611-K1694 PolarHBondContact NH2-O 2.99Å; R1611-D1695 IonicContact CZ-OD1 2.68Å; R1611-D1695 IonicContact NE-OD1 2.94Å; R1611-D1695 IonicContact NH2-OD1 2.72Å; R1611-D1695 PolarHBondContact NH2-OD1 2.69Å
1612P77.9Confident83.5Confident18 Ų1839.9 Ų39.912%0.11720%0.2CC..  trans-64.3144.5172.8-14.927.2000111.5Y1579 S1608 F1616 W1617Y1579-P1612 WeakPolarHBondContact OH-CG 3.3Å; S1608-P1612 WeakPolarHBondContact OG-CA 3.39Å; P1612-F1616 HydrophobicContact CB-CB 4.35Å; P1612-F1616 HydrophobicContact CB-CD1 3.59Å; P1612-F1616 HydrophobicContact CB-CE1 4.19Å; P1612-F1616 HydrophobicContact CB-CG 4.11Å; P1612-F1616 HydrophobicContact CG-CD1 4.43Å; P1612-W1617 HydrophobicContact CB-CZ2 4.38Å; P1612-W1617 HydrophobicContact CG-CZ2 3.97Å
1613S78Confident83.7Confident44 Ų4443.1 Ų43.131%0.30821%0.213SC..  trans-64.8157.117971.80000112.2F1615 F1616 W1617S1613-F1615 PolarHBondContact O-N 2.96Å; S1613-F1615 PolarHBondContact OG-N 3.35Å; S1613-F1616 WeakPolarHBondContact O-CB 3.43Å; S1613-F1616 PolarHBondContact O-N 3.4Å; S1613-F1616 PolarHBondContact OG-N 2.91Å; S1613-F1616 VanDerWaalsContact OG-N 3.14Å; S1613-W1617 PolarHBondContact O-N 3.49Å
1614K83.6Confident84Confident105 Ų10539.7 Ų39.746%0.45720%0.198SC..Hα-helixtrans-53.5-36.3167.8176.7-167.3162-150.40111.9W1617 V1618 W1693K1614-W1617 PolarHBondContact O-N 3.08Å; K1614-V1618 HydrophobicContact CG-CG2 4.25Å; K1614-V1618 WeakPolarHBondContact O-CG2 3.22Å; K1614-V1618 PolarHBondContact O-N 3.25Å; K1614-W1693 HydrophobicContact CG-CZ2 4.08Å
1615F86.4Confident84.1Confident137 Ų13737.1 Ų37.160%0.60119%0.189SC*.Hα-helixtrans-65.7-39-178-177.7-117.4000112.2W1604 S1613 V1618 T1619W1604-F1615 AromaticContact CH2-CD1 3.58Å; W1604-F1615 HydrophobicContact CH2-CD1 3.58Å; W1604-F1615 AromaticContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CZ2-CD1 4.02Å; S1613-F1615 PolarHBondContact O-N 2.96Å; S1613-F1615 PolarHBondContact OG-N 3.35Å; F1615-V1618 PolarHBondContact O-N 3Å; F1615-T1619 WeakPolarHBondContact O-CB 3.36Å; F1615-T1619 PolarHBondContact O-N 3.05Å; F1615-T1619 PolarHBondContact O-OG1 2.86Å
1616F88.5Confident84.4Confident0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-56.1-53.6172.3169.2-95.5000111.5Y1579 M1600 W1604 P1612 S1613 V1618 T1619 M1620Y1579-F1616 AromaticContact CE1-CE1 3.88Å; Y1579-F1616 HydrophobicContact CE1-CE1 3.88Å; Y1579-F1616 AromaticContact CE1-CZ 3.79Å; Y1579-F1616 HydrophobicContact CE1-CZ 3.79Å; M1600-F1616 HydrophobicContact CB-CE2 4.17Å; M1600-F1616 HydrophobicContact CE-CD2 4.43Å; M1600-F1616 HydrophobicContact CE-CE2 4.49Å; W1604-F1616 HydrophobicContact CB-CD2 4.34Å; W1604-F1616 HydrophobicContact CB-CE2 4.46Å; W1604-F1616 HydrophobicContact CD2-CB 4.46Å; W1604-F1616 AromaticContact CD2-CD2 3.82Å; W1604-F1616 HydrophobicContact CD2-CD2 3.82Å; W1604-F1616 AromaticContact CE3-CD2 3.87Å; W1604-F1616 HydrophobicContact CE3-CD2 3.87Å; W1604-F1616 HydrophobicContact CG-CD2 4.03Å; W1604-F1616 HydrophobicContact CZ2-CB 4.34Å; P1612-F1616 HydrophobicContact CB-CB 4.35Å; P1612-F1616 HydrophobicContact CB-CD1 3.59Å; P1612-F1616 HydrophobicContact CB-CE1 4.19Å; P1612-F1616 HydrophobicContact CB-CG 4.11Å; P1612-F1616 HydrophobicContact CG-CD1 4.43Å; S1613-F1616 WeakPolarHBondContact O-CB 3.43Å; S1613-F1616 PolarHBondContact O-N 3.4Å; S1613-F1616 PolarHBondContact OG-N 2.91Å; S1613-F1616 VanDerWaalsContact OG-N 3.14Å; F1616-V1618 PolarHBondContact O-N 3.2Å; F1616-T1619 PolarHBondContact O-N 2.83Å; F1616-M1620 HydrophobicContact CE1-SD 3.98Å; F1616-M1620 HydrophobicContact CZ-SD 3.84Å; F1616-M1620 WeakPolarHBondContact O-CB 3.5Å; F1616-M1620 PolarHBondContact O-N 3.26Å
1617W91.1Very high84.7Confident8 Ų839.7 Ų39.73%0.0321%0.207CC..Hα-helixtrans-66.5-36.5-178.2-66.7114.3000113.8D1575 C1578 Y1579 P1612 S1613 K1614 M1620 I1621 L1680 H1683 W1693D1575-W1617 HydrophobicContact CB-CH2 4.13Å; D1575-W1617 HydrophobicContact CB-CZ2 4.03Å; C1578-W1617 HydrophobicContact CB-CH2 4.03Å; C1578-W1617 HydrophobicContact CB-CZ3 3.73Å; Y1579-W1617 HydrophobicContact CD1-CH2 4.43Å; Y1579-W1617 AromaticContact CE1-CH2 3.72Å; Y1579-W1617 HydrophobicContact CE1-CH2 3.72Å; Y1579-W1617 HydrophobicContact CE1-CZ2 4.35Å; Y1579-W1617 HydrophobicContact CE1-CZ3 4.4Å; P1612-W1617 HydrophobicContact CB-CZ2 4.38Å; P1612-W1617 HydrophobicContact CG-CZ2 3.97Å; S1613-W1617 PolarHBondContact O-N 3.49Å; K1614-W1617 PolarHBondContact O-N 3.08Å; W1617-M1620 HydrophobicContact CE3-SD 4.09Å; W1617-M1620 HydrophobicContact CZ3-SD 3.88Å; W1617-I1621 WeakPolarHBondContact O-CG1 3.23Å; W1617-I1621 PolarHBondContact O-N 3.05Å; W1617-I1621 VanDerWaalsContact O-N 3.08Å; W1617-L1680 HydrophobicContact CE3-CD2 3.7Å; W1617-L1680 HydrophobicContact CZ3-CD2 3.74Å; W1617-H1683 AromaticContact CD2-CD2 3.59Å; W1617-H1683 AromaticContact CD2-NE2 3.7Å; W1617-H1683 AromaticContact CE2-CD2 3.55Å; W1617-H1683 AromaticContact CE2-NE2 3.14Å; W1617-H1683 AromaticContact CE3-CD2 3.72Å; W1617-H1683 AromaticContact CH2-CD2 3.82Å; W1617-H1683 AromaticContact CH2-NE2 3.75Å; W1617-H1683 AromaticContact CZ2-CD2 3.68Å; W1617-H1683 AromaticContact CZ2-CE1 3.99Å; W1617-H1683 AromaticContact CZ2-NE2 3.18Å; W1617-H1683 WeakPolarHBondContact CZ2-NE2 3.46Å; W1617-H1683 AromaticContact CZ3-CD2 3.83Å; W1617-H1683 AromaticContact NE1-NE2 3.48Å; W1617-H1683 PolarHBondContact NE1-NE2 3.42Å; W1617-W1693 HydrophobicContact CB-CH2 4.21Å; W1617-W1693 HydrophobicContact CB-CZ3 4.08Å
1618V89.9Confident84.9Confident37 Ų3739.7 Ų39.722%0.22421%0.207CC..Hα-helixtrans-64.8-47.4174.1171.60000110.3K1614 F1615 F1616 M1620 I1621 T1622 W1693K1614-V1618 HydrophobicContact CG-CG2 4.25Å; K1614-V1618 WeakPolarHBondContact O-CG2 3.22Å; K1614-V1618 PolarHBondContact O-N 3.25Å; F1615-V1618 PolarHBondContact O-N 3Å; F1616-V1618 PolarHBondContact O-N 3.2Å; V1618-M1620 VanDerWaalsContact C-N 3.3Å; V1618-M1620 PolarHBondContact O-N 2.88Å; V1618-I1621 PolarHBondContact O-N 3.17Å; V1618-T1622 HydrophobicContact CG1-CG2 4.42Å; V1618-T1622 PolarHBondContact O-N 3.23Å; V1618-T1622 PolarHBondContact O-OG1 2.89Å; V1618-T1622 VanDerWaalsContact O-OG1 3.08Å; V1618-W1693 HydrophobicContact CG2-CH2 3.98Å; V1618-W1693 HydrophobicContact CG2-CZ2 3.78Å
1619T91.1Very high85.3Confident38 Ų3842.1 Ų42.123%0.23322%0.221CC..Hα-helixtrans-59.7-42.1178.5-53.40000111.2M1600 F1615 F1616 T1622 Y1623M1600-T1619 HydrophobicContact CE-CG2 3.87Å; F1615-T1619 WeakPolarHBondContact O-CB 3.36Å; F1615-T1619 PolarHBondContact O-N 3.05Å; F1615-T1619 PolarHBondContact O-OG1 2.86Å; F1616-T1619 PolarHBondContact O-N 2.83Å; T1619-T1622 WeakPolarHBondContact CA-OG1 3.4Å; T1619-T1622 PolarHBondContact O-N 2.88Å; T1619-T1622 PolarHBondContact O-OG1 3.3Å; T1619-T1622 VanDerWaalsContact O-OG1 3.04Å; T1619-Y1623 VanDerWaalsContact O-CB 3.25Å; T1619-Y1623 WeakPolarHBondContact O-CB 3.39Å; T1619-Y1623 PolarHBondContact O-N 2.92Å
1620M90.9Very high86.1Confident2 Ų243.5 Ų43.51%0.0123%0.228CC..Hα-helixtrans-63.7-41.7178.1-166.7171.717500112.3A1582 F1616 W1617 V1618 T1624 L1676 L1680A1582-M1620 HydrophobicContact CB-CE 3.82Å; F1616-M1620 HydrophobicContact CE1-SD 3.98Å; F1616-M1620 HydrophobicContact CZ-SD 3.84Å; F1616-M1620 WeakPolarHBondContact O-CB 3.5Å; F1616-M1620 PolarHBondContact O-N 3.26Å; W1617-M1620 HydrophobicContact CE3-SD 4.09Å; W1617-M1620 HydrophobicContact CZ3-SD 3.88Å; V1618-M1620 VanDerWaalsContact C-N 3.3Å; V1618-M1620 PolarHBondContact O-N 2.88Å; M1620-T1624 WeakPolarHBondContact O-CG2 3.25Å; M1620-T1624 PolarHBondContact O-N 3.36Å; M1620-T1624 VanDerWaalsContact O-N 3.11Å; M1620-T1624 PolarHBondContact O-OG1 3.12Å; M1620-L1676 HydrophobicContact CE-CD1 4.07Å; M1620-L1680 HydrophobicContact CB-CD2 4.41Å; M1620-L1680 HydrophobicContact CE-CD2 3.96Å; M1620-L1680 HydrophobicContact CG-CD1 4Å; M1620-L1680 HydrophobicContact CG-CD2 3.9Å; M1620-L1680 HydrophobicContact SD-CD2 3.7Å
1621I90.9Very high87.1Confident2 Ų240.6 Ų40.61%0.0121%0.208CC..Hα-helixtrans-65.4-50.1173.7-69.1164.7000111.2W1162 W1617 V1618 Y1623 T1624 E1625 L1680 F1681 R1684W1162-I1621 HydrophobicContact CZ3-CG2 4.1Å; W1617-I1621 WeakPolarHBondContact O-CG1 3.23Å; W1617-I1621 PolarHBondContact O-N 3.05Å; W1617-I1621 VanDerWaalsContact O-N 3.08Å; V1618-I1621 PolarHBondContact O-N 3.17Å; I1621-Y1623 VanDerWaalsContact C-N 3.25Å; I1621-Y1623 PolarHBondContact O-N 3.06Å; I1621-T1624 PolarHBondContact O-N 3.34Å; I1621-T1624 PolarHBondContact O-OG1 2.71Å; I1621-E1625 HydrophobicContact CG2-CG 4.34Å; I1621-E1625 WeakPolarHBondContact O-CG 3.21Å; I1621-E1625 PolarHBondContact O-N 2.69Å; I1621-L1680 HydrophobicContact CD1-CB 4.35Å; I1621-L1680 HydrophobicContact CG1-CB 3.71Å; I1621-L1680 HydrophobicContact CG1-CD1 4.23Å; I1621-L1680 HydrophobicContact CG1-CG 4.39Å; I1621-F1681 HydrophobicContact CG2-CE2 4Å; I1621-F1681 HydrophobicContact CG2-CZ 4.16Å; I1621-R1684 HydrophobicContact CD1-CB 4.43Å
1622T90.7Very high87.8Confident53 Ų5337.2 Ų37.233%0.32520%0.196SC..Hα-helixtrans-64.5-33.6-177.950.40000111.8W1162 V1618 T1619 C1626W1162-T1622 HydrophobicContact CH2-CG2 4.48Å; V1618-T1622 HydrophobicContact CG1-CG2 4.42Å; V1618-T1622 PolarHBondContact O-N 3.23Å; V1618-T1622 PolarHBondContact O-OG1 2.89Å; V1618-T1622 VanDerWaalsContact O-OG1 3.08Å; T1619-T1622 WeakPolarHBondContact CA-OG1 3.4Å; T1619-T1622 PolarHBondContact O-N 2.88Å; T1619-T1622 PolarHBondContact O-OG1 3.3Å; T1619-T1622 VanDerWaalsContact O-OG1 3.04Å; T1622-C1626 WeakPolarHBondContact O-CB 3.09Å; T1622-C1626 PolarHBondContact O-N 3.27Å; T1622-C1626 PolarHBondContact O-SG 3.07Å
1623Y92.4Very high88.2Confident69 Ų6939.2 Ų39.227%0.27121%0.207SC..Hα-helixtrans-68-43.6175-166.5-93.7000111.4I1593 P1596 L1597 T1619 I1621 C1626 V1627I1593-Y1623 WeakPolarHBondContact O-CE1 3.4Å; I1593-Y1623 PolarHBondContact O-OH 3.41Å; P1596-Y1623 HydrophobicContact CB-CE1 4.41Å; L1597-Y1623 HydrophobicContact CD2-CD1 3.78Å; L1597-Y1623 HydrophobicContact CD2-CE1 4.38Å; L1597-Y1623 HydrophobicContact CG-CD1 4.11Å; L1597-Y1623 HydrophobicContact CG-CE1 4.21Å; T1619-Y1623 VanDerWaalsContact O-CB 3.25Å; T1619-Y1623 WeakPolarHBondContact O-CB 3.39Å; T1619-Y1623 PolarHBondContact O-N 2.92Å; I1621-Y1623 VanDerWaalsContact C-N 3.25Å; I1621-Y1623 PolarHBondContact O-N 3.06Å; Y1623-C1626 PolarHBondContact O-N 3.29Å; Y1623-V1627 HydrophobicContact CD1-CG2 3.78Å; Y1623-V1627 HydrophobicContact CE1-CG2 3.5Å; Y1623-V1627 VanDerWaalsContact CE1-CG2 3.5Å; Y1623-V1627 WeakPolarHBondContact O-CB 3.28Å; Y1623-V1627 VanDerWaalsContact O-CG2 3.27Å; Y1623-V1627 WeakPolarHBondContact O-CG2 3.46Å; Y1623-V1627 PolarHBondContact O-N 3.18Å
1624T91.3Very high88.6Confident0 Ų038.1 Ų38.10%020%0.2CC..Hα-helixtrans-66.5-38.5176.254.30000112.6L1597 M1620 I1621 V1627 I1628 L1676 L1680L1597-T1624 HydrophobicContact CD1-CG2 4.41Å; L1597-T1624 HydrophobicContact CD2-CG2 3.85Å; M1620-T1624 WeakPolarHBondContact O-CG2 3.25Å; M1620-T1624 PolarHBondContact O-N 3.36Å; M1620-T1624 VanDerWaalsContact O-N 3.11Å; M1620-T1624 PolarHBondContact O-OG1 3.12Å; I1621-T1624 PolarHBondContact O-N 3.34Å; I1621-T1624 PolarHBondContact O-OG1 2.71Å; T1624-V1627 PolarHBondContact O-N 3.06Å; T1624-I1628 VanDerWaalsContact O-CG1 3.28Å; T1624-I1628 WeakPolarHBondContact O-CG1 3.43Å; T1624-I1628 PolarHBondContact O-N 3.11Å; T1624-L1676 HydrophobicContact CG2-CD2 3.58Å; T1624-L1676 HydrophobicContact CG2-CG 4Å; T1624-L1680 HydrophobicContact CG2-CD1 4.02Å
1625E89.8Confident88.6Confident32 Ų3233.5 Ų33.515%0.1518%0.18CC..Hα-helixtrans-60.1-45.5172-71174.5167.800111.3L1158 I1621 I1628 V1629 L1677 F1681L1158-E1625 HydrophobicContact CD2-CG 4.39Å; I1621-E1625 HydrophobicContact CG2-CG 4.34Å; I1621-E1625 WeakPolarHBondContact O-CG 3.21Å; I1621-E1625 PolarHBondContact O-N 2.69Å; E1625-I1628 PolarHBondContact O-N 2.78Å; E1625-V1629 WeakPolarHBondContact O-CG2 3.47Å; E1625-V1629 PolarHBondContact O-N 3Å; E1625-V1629 VanDerWaalsContact O-N 3.09Å; E1625-L1677 HydrophobicContact CG-CD1 3.67Å; E1625-F1681 WeakPolarHBondContact OE1-CE2 3.37Å; E1625-F1681 WeakPolarHBondContact OE1-CZ 3.29Å
1626C89Confident88.4Confident69 Ų6927.7 Ų27.747%0.46615%0.154SC..Hα-helixtrans-63.2-43175.2-68.10000112.5T1622 Y1623 I1628 V1629 I1630T1622-C1626 WeakPolarHBondContact O-CB 3.09Å; T1622-C1626 PolarHBondContact O-N 3.27Å; T1622-C1626 PolarHBondContact O-SG 3.07Å; Y1623-C1626 PolarHBondContact O-N 3.29Å; C1626-I1628 VanDerWaalsContact C-N 3.35Å; C1626-I1628 PolarHBondContact O-N 2.89Å; C1626-V1629 PolarHBondContact O-N 3.38Å; C1626-I1630 WeakPolarHBondContact O-CB 3.42Å; C1626-I1630 WeakPolarHBondContact O-CD1 3.43Å; C1626-I1630 VanDerWaalsContact O-CG1 3.23Å; C1626-I1630 WeakPolarHBondContact O-CG1 3.49Å; C1626-I1630 PolarHBondContact O-N 3.44Å
1627V88.8Confident87.7Confident2 Ų229.5 Ų29.51%0.01217%0.17CC..Hα-helixtrans-62.5-40.9177.7169.10000111.4I1593 T1594 Y1623 T1624 K1631I1593-V1627 HydrophobicContact CG2-CG1 4.39Å; I1593-V1627 HydrophobicContact CG2-CG2 3.86Å; T1594-V1627 HydrophobicContact CG2-CG1 4.48Å; Y1623-V1627 HydrophobicContact CD1-CG2 3.78Å; Y1623-V1627 HydrophobicContact CE1-CG2 3.5Å; Y1623-V1627 VanDerWaalsContact CE1-CG2 3.5Å; Y1623-V1627 WeakPolarHBondContact O-CB 3.28Å; Y1623-V1627 VanDerWaalsContact O-CG2 3.27Å; Y1623-V1627 WeakPolarHBondContact O-CG2 3.46Å; Y1623-V1627 PolarHBondContact O-N 3.18Å; T1624-V1627 PolarHBondContact O-N 3.06Å; V1627-K1631 HydrophobicContact CG1-CD 3.84Å; V1627-K1631 HydrophobicContact CG1-CG 4.28Å; V1627-K1631 VanDerWaalsContact O-CB 3.27Å; V1627-K1631 WeakPolarHBondContact O-CB 3.45Å; V1627-K1631 VanDerWaalsContact O-CG 3.26Å; V1627-K1631 WeakPolarHBondContact O-CG 3.23Å; V1627-K1631 PolarHBondContact O-N 3.19Å
1628I87.7Confident87.1Confident12 Ų1233.1 Ų33.16%0.06219%0.185CC..Hα-helixtrans-63.6-46.7176.4-69.9165000110.6T1624 E1625 C1626 K1631 F1632 D1673 I1674 L1677T1624-I1628 VanDerWaalsContact O-CG1 3.28Å; T1624-I1628 WeakPolarHBondContact O-CG1 3.43Å; T1624-I1628 PolarHBondContact O-N 3.11Å; E1625-I1628 PolarHBondContact O-N 2.78Å; C1626-I1628 VanDerWaalsContact C-N 3.35Å; C1626-I1628 PolarHBondContact O-N 2.89Å; I1628-K1631 PolarHBondContact O-N 2.85Å; I1628-F1632 VanDerWaalsContact O-CB 3.32Å; I1628-F1632 WeakPolarHBondContact O-CB 3.49Å; I1628-F1632 PolarHBondContact O-N 2.9Å; I1628-D1673 HydrophobicContact CD1-CB 4.08Å; I1628-D1673 HydrophobicContact CG1-CB 3.67Å; I1628-I1674 HydrophobicContact CD1-CG1 4.25Å; I1628-L1677 HydrophobicContact CD1-CB 4.25Å; I1628-L1677 HydrophobicContact CD1-CD2 3.9Å
1629V86.3Confident86.7Confident61 Ų6133.3 Ų33.337%0.3719%0.185SC..Hα-helixtrans-65.3-44.1179174.20000111.6E1625 C1626 F1632 V1633E1625-V1629 WeakPolarHBondContact O-CG2 3.47Å; E1625-V1629 PolarHBondContact O-N 3Å; E1625-V1629 VanDerWaalsContact O-N 3.09Å; C1626-V1629 PolarHBondContact O-N 3.38Å; V1629-F1632 PolarHBondContact O-N 3.45Å; V1629-V1633 HydrophobicContact CG1-CG2 4.5Å; V1629-V1633 WeakPolarHBondContact O-CG2 3.05Å; V1629-V1633 PolarHBondContact O-N 2.9Å
1630I87Confident86.2Confident83 Ų8336.1 Ų36.143%0.42620%0.203SC..Hα-helixtrans-61.8-48.9176.6-70.3165.2000110.3C1626 F1632 V1633 C1634C1626-I1630 WeakPolarHBondContact O-CB 3.42Å; C1626-I1630 WeakPolarHBondContact O-CD1 3.43Å; C1626-I1630 VanDerWaalsContact O-CG1 3.23Å; C1626-I1630 WeakPolarHBondContact O-CG1 3.49Å; C1626-I1630 PolarHBondContact O-N 3.44Å; I1630-F1632 VanDerWaalsContact C-N 3.33Å; I1630-F1632 PolarHBondContact O-N 3.27Å; I1630-V1633 PolarHBondContact O-N 3.25Å; I1630-C1634 WeakPolarHBondContact O-CB 3.44Å; I1630-C1634 PolarHBondContact O-N 2.83Å; I1630-C1634 PolarHBondContact O-SG 3.2Å; I1630-C1634 VanDerWaalsContact O-SG 3.37Å
1631K86.7Confident85.8Confident6 Ų638.3 Ų38.33%0.02621%0.212CC..Hα-helixtrans-59.3-43.1177.5-76.6176.2173.3173.40111.9V1627 I1628 C1634 Q1635 F1669 D1673V1627-K1631 HydrophobicContact CG1-CD 3.84Å; V1627-K1631 HydrophobicContact CG1-CG 4.28Å; V1627-K1631 VanDerWaalsContact O-CB 3.27Å; V1627-K1631 WeakPolarHBondContact O-CB 3.45Å; V1627-K1631 VanDerWaalsContact O-CG 3.26Å; V1627-K1631 WeakPolarHBondContact O-CG 3.23Å; V1627-K1631 PolarHBondContact O-N 3.19Å; I1628-K1631 PolarHBondContact O-N 2.85Å; K1631-C1634 CarbonylContact O-C 3.51Å; K1631-C1634 PolarHBondContact O-N 2.9Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.46Å; K1631-Q1635 PolarHBondContact O-N 3.02Å; K1631-Q1635 VanDerWaalsContact O-N 3.13Å; K1631-F1669 HydrophobicContact CB-CD2 3.83Å; K1631-F1669 HydrophobicContact CB-CE2 4.11Å; K1631-D1673 IonicContact NZ-OD1 3.73Å; K1631-D1673 PolarHBondContact NZ-OD1 3.45Å; K1631-D1673 IonicContact NZ-OD2 2.68Å; K1631-D1673 PolarHBondContact NZ-OD2 3.4Å
1632F85.8Confident85.3Confident3 Ų338.5 Ų38.51%0.01321%0.213CC..Hα-helixtrans-60.3-51176.7-178.1-83.3000111.6G1145 A1150 L1151 I1154 I1628 V1629 I1630 C1634 Q1635 F1636 F1669G1145-F1632 WeakPolarHBondContact O-CE2 3.3Å; A1150-F1632 HydrophobicContact CB-CE2 4.38Å; A1150-F1632 HydrophobicContact CB-CZ 4.25Å; L1151-F1632 HydrophobicContact CB-CE1 3.91Å; L1151-F1632 HydrophobicContact CB-CZ 4.14Å; L1151-F1632 HydrophobicContact CD1-CD1 3.94Å; L1151-F1632 HydrophobicContact CD1-CE1 3.78Å; L1151-F1632 HydrophobicContact CG-CE1 4.43Å; I1154-F1632 HydrophobicContact CD1-CD2 3.52Å; I1154-F1632 HydrophobicContact CD1-CE2 3.63Å; I1154-F1632 HydrophobicContact CD1-CG 4.16Å; I1154-F1632 HydrophobicContact CD1-CZ 4.35Å; I1628-F1632 VanDerWaalsContact O-CB 3.32Å; I1628-F1632 WeakPolarHBondContact O-CB 3.49Å; I1628-F1632 PolarHBondContact O-N 2.9Å; V1629-F1632 PolarHBondContact O-N 3.45Å; I1630-F1632 VanDerWaalsContact C-N 3.33Å; I1630-F1632 PolarHBondContact O-N 3.27Å; F1632-C1634 PolarHBondContact O-N 3.41Å; F1632-Q1635 PolarHBondContact O-N 2.84Å; F1632-F1636 HydrophobicContact CE1-CE2 4.21Å; F1632-F1636 HydrophobicContact CE1-CZ 4.23Å; F1632-F1669 HydrophobicContact CB-CE2 4.27Å; F1632-F1669 HydrophobicContact CB-CZ 4.37Å; F1632-F1669 HydrophobicContact CD2-CZ 4.1Å
1633V85.7Confident84.7Confident60 Ų6037.9 Ų37.936%0.36421%0.211SC..Hα-helixtrans-61.2-32.2177.2172.80000111.7V1629 I1630 F1636 M1639V1629-V1633 HydrophobicContact CG1-CG2 4.5Å; V1629-V1633 WeakPolarHBondContact O-CG2 3.05Å; V1629-V1633 PolarHBondContact O-N 2.9Å; I1630-V1633 PolarHBondContact O-N 3.25Å; V1633-F1636 WeakPolarHBondContact O-CD2 3.4Å; V1633-M1639 HydrophobicContact CG1-CE 4.26Å
1634C86.6Confident84Confident22 Ų2239.9 Ų39.915%0.14923%0.225CC..Hα-helixtrans-79.3-9176.3-74.50000115.2I1630 K1631 F1632 Y1641 N1642 V1663I1630-C1634 WeakPolarHBondContact O-CB 3.44Å; I1630-C1634 PolarHBondContact O-N 2.83Å; I1630-C1634 PolarHBondContact O-SG 3.2Å; I1630-C1634 VanDerWaalsContact O-SG 3.37Å; K1631-C1634 CarbonylContact O-C 3.51Å; K1631-C1634 PolarHBondContact O-N 2.9Å; F1632-C1634 PolarHBondContact O-N 3.41Å; C1634-Y1641 WeakPolarHBondContact CA-OH 3.41Å; C1634-Y1641 VanDerWaalsContact CB-OH 3.27Å; C1634-Y1641 WeakPolarHBondContact CB-OH 3.22Å; C1634-Y1641 PolarHBondContact O-OH 2.93Å; C1634-Y1641 PolarHBondContact SG-OH 3.47Å; C1634-Y1641 VanDerWaalsContact SG-OH 3.4Å; C1634-N1642 PolarHBondContact O-ND2 3.39Å; C1634-V1663 HydrophobicContact CB-CG1 3.29Å
1635Q84Confident83.5Confident7 Ų745 Ų453%0.03326%0.256CS..Hα-helixtrans-79.5-19.9173.4-65.7-52.1-79.600113.4T1146 K1631 F1632 A1637 N1642 Q1665 F1669T1146-Q1635 HydrophobicContact CG2-CB 3.66Å; T1146-Q1635 HydrophobicContact CG2-CG 4.36Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.46Å; K1631-Q1635 PolarHBondContact O-N 3.02Å; K1631-Q1635 VanDerWaalsContact O-N 3.13Å; F1632-Q1635 PolarHBondContact O-N 2.84Å; Q1635-A1637 PolarHBondContact O-N 3.41Å; Q1635-N1642 PolarHBondContact O-ND2 2.88Å; Q1635-Q1665 VanDerWaalsContact OE1-CA 3.28Å; Q1635-F1669 HydrophobicContact CG-CB 4.43Å; Q1635-F1669 HydrophobicContact CG-CD1 3.56Å; Q1635-F1669 HydrophobicContact CG-CD2 3.94Å; Q1635-F1669 HydrophobicContact CG-CE1 3.68Å; Q1635-F1669 HydrophobicContact CG-CE2 4.02Å; Q1635-F1669 HydrophobicContact CG-CG 3.7Å; Q1635-F1669 HydrophobicContact CG-CZ 3.9Å
1636F81.9Confident83.3Confident15 Ų1547.2 Ų47.27%0.06626%0.263CS..SBendtrans-54.5135.5-178-80.5-71000112.1T1146 L1228 F1632 V1633 F1638 M1639 N1642T1146-F1636 WeakPolarHBondContact O-CE1 3.32Å; T1146-F1636 WeakPolarHBondContact O-CZ 3.48Å; L1228-F1636 HydrophobicContact CD1-CE1 4.32Å; L1228-F1636 HydrophobicContact CD1-CZ 4.43Å; F1632-F1636 HydrophobicContact CE1-CE2 4.21Å; F1632-F1636 HydrophobicContact CE1-CZ 4.23Å; V1633-F1636 WeakPolarHBondContact O-CD2 3.4Å; F1636-F1638 HydrophobicContact CB-CD1 3.71Å; F1636-F1638 HydrophobicContact CB-CE1 3.35Å; F1636-F1638 HydrophobicContact CB-CE2 4.38Å; F1636-F1638 HydrophobicContact CB-CG 4.36Å; F1636-F1638 HydrophobicContact CB-CZ 3.72Å; F1636-F1638 HydrophobicContact CD1-CD1 4.44Å; F1636-F1638 AromaticContact CD1-CE1 3.88Å; F1636-F1638 HydrophobicContact CD1-CE1 3.88Å; F1636-F1638 AromaticContact CD2-CE1 3.98Å; F1636-F1638 HydrophobicContact CD2-CE1 3.98Å; F1636-F1638 HydrophobicContact CD2-CZ 4.05Å; F1636-F1638 HydrophobicContact CG-CD1 4.22Å; F1636-F1638 AromaticContact CG-CE1 3.49Å; F1636-F1638 HydrophobicContact CG-CE1 3.49Å; F1636-F1638 VanDerWaalsContact CG-CE1 3.49Å; F1636-F1638 AromaticContact CG-CZ 3.96Å; F1636-F1638 HydrophobicContact CG-CZ 3.96Å; F1636-F1638 PolarHBondContact O-N 3.34Å; F1636-M1639 WeakPolarHBondContact O-CB 3.24Å; F1636-M1639 PolarHBondContact O-N 2.93Å; F1636-M1639 VanDerWaalsContact O-N 3.15Å; F1636-N1642 PolarHBondContact O-ND2 3.44Å
1637A74.6Confident82.8Confident39 Ų3948.8 Ų48.832%0.32226%0.259SS..THydrogen-bonded Turntrans-67.3-15.7-174.100000114.7Q1227 Q1635 M1639Q1227-A1637 HydrophobicContact CG-CB 4.45Å; Q1635-A1637 PolarHBondContact O-N 3.41Å; A1637-M1639 VanDerWaalsContact C-N 3.25Å; A1637-M1639 PolarHBondContact O-N 3.42Å
1638F78.9Confident82.4Confident83 Ų8353.1 Ų53.136%0.36429%0.286SS..THydrogen-bonded Turntrans-73.6-12.3174.363.4-106.6000113.9I1224 F1636I1224-F1638 HydrophobicContact CG1-CB 4.29Å; F1636-F1638 HydrophobicContact CB-CD1 3.71Å; F1636-F1638 HydrophobicContact CB-CE1 3.35Å; F1636-F1638 HydrophobicContact CB-CE2 4.38Å; F1636-F1638 HydrophobicContact CB-CG 4.36Å; F1636-F1638 HydrophobicContact CB-CZ 3.72Å; F1636-F1638 HydrophobicContact CD1-CD1 4.44Å; F1636-F1638 AromaticContact CD1-CE1 3.88Å; F1636-F1638 HydrophobicContact CD1-CE1 3.88Å; F1636-F1638 AromaticContact CD2-CE1 3.98Å; F1636-F1638 HydrophobicContact CD2-CE1 3.98Å; F1636-F1638 HydrophobicContact CD2-CZ 4.05Å; F1636-F1638 HydrophobicContact CG-CD1 4.22Å; F1636-F1638 AromaticContact CG-CE1 3.49Å; F1636-F1638 HydrophobicContact CG-CE1 3.49Å; F1636-F1638 VanDerWaalsContact CG-CE1 3.49Å; F1636-F1638 AromaticContact CG-CZ 3.96Å; F1636-F1638 HydrophobicContact CG-CZ 3.96Å; F1636-F1638 PolarHBondContact O-N 3.34Å
1639M81.7Confident82.1Confident42 Ų4259.8 Ų59.821%0.20732%0.317CS..SBendtrans-69.5128.6175.3-67.1-65.6-172.900109.9V1633 F1636 A1637 Y1641 N1642V1633-M1639 HydrophobicContact CG1-CE 4.26Å; F1636-M1639 WeakPolarHBondContact O-CB 3.24Å; F1636-M1639 PolarHBondContact O-N 2.93Å; F1636-M1639 VanDerWaalsContact O-N 3.15Å; A1637-M1639 VanDerWaalsContact C-N 3.25Å; A1637-M1639 PolarHBondContact O-N 3.42Å; M1639-Y1641 VanDerWaalsContact C-N 3.26Å; M1639-Y1641 HydrophobicContact CB-CD1 4.42Å; M1639-Y1641 HydrophobicContact CB-CE1 3.87Å; M1639-Y1641 HydrophobicContact CB-CE2 4.02Å; M1639-Y1641 HydrophobicContact CG-CE1 4.35Å; M1639-Y1641 PolarHBondContact O-N 3.35Å; M1639-Y1641 VanDerWaalsContact O-N 3.13Å; M1639-Y1641 HydrophobicContact SD-CE1 4.46Å; M1639-N1642 HydrophobicContact CB-CB 4.5Å; M1639-N1642 WeakPolarHBondContact O-CB 3.36Å; M1639-N1642 PolarHBondContact O-N 2.89Å
1640P79.6Confident81.9Confident96 Ų9658.9 Ų58.962%0.62331%0.309SS*.G310 helixtrans-61.9-30.8-168.821.9-33000113.8N1642 S1643P1640-N1642 VanDerWaalsContact C-N 3.3Å; P1640-N1642 PolarHBondContact O-N 3.42Å; P1640-S1643 VanDerWaalsContact O-CB 3.29Å; P1640-S1643 WeakPolarHBondContact O-CB 3.31Å; P1640-S1643 PolarHBondContact O-N 3.48Å; P1640-S1643 PolarHBondContact O-OG 2.78Å
1641Y82.7Confident81.3Confident49 Ų4961.5 Ų61.519%0.19232%0.319CS..G310 helixtrans-75.2-13.9176.757.2-101.2000114.1C1634 M1639 S1643 D1658 V1663C1634-Y1641 WeakPolarHBondContact CA-OH 3.41Å; C1634-Y1641 VanDerWaalsContact CB-OH 3.27Å; C1634-Y1641 WeakPolarHBondContact CB-OH 3.22Å; C1634-Y1641 PolarHBondContact O-OH 2.93Å; C1634-Y1641 PolarHBondContact SG-OH 3.47Å; C1634-Y1641 VanDerWaalsContact SG-OH 3.4Å; M1639-Y1641 VanDerWaalsContact C-N 3.26Å; M1639-Y1641 HydrophobicContact CB-CD1 4.42Å; M1639-Y1641 HydrophobicContact CB-CE1 3.87Å; M1639-Y1641 HydrophobicContact CB-CE2 4.02Å; M1639-Y1641 HydrophobicContact CG-CE1 4.35Å; M1639-Y1641 PolarHBondContact O-N 3.35Å; M1639-Y1641 VanDerWaalsContact O-N 3.13Å; M1639-Y1641 HydrophobicContact SD-CE1 4.46Å; Y1641-S1643 VanDerWaalsContact C-N 3.34Å; Y1641-D1658 HydrophobicContact CD2-CB 4.3Å; Y1641-V1663 HydrophobicContact CE2-CG1 4.38Å
1642N80.1Confident80.6Confident5 Ų569 Ų693%0.02736%0.356CS..G310 helixtrans-85.2-10.4172.6-68.6-20.5000112.1C1634 Q1635 F1636 M1639 P1640 R1647C1634-N1642 PolarHBondContact O-ND2 3.39Å; Q1635-N1642 PolarHBondContact O-ND2 2.88Å; F1636-N1642 PolarHBondContact O-ND2 3.44Å; M1639-N1642 HydrophobicContact CB-CB 4.5Å; M1639-N1642 WeakPolarHBondContact O-CB 3.36Å; M1639-N1642 PolarHBondContact O-N 2.89Å; P1640-N1642 VanDerWaalsContact C-N 3.3Å; P1640-N1642 PolarHBondContact O-N 3.42Å; N1642-R1647 PolarHBondContact O-NH2 3.25Å
1643S78.2Confident80.2Confident40 Ų4071.7 Ų71.728%0.2837%0.371SS..SBendtrans-55.6147.8172.867.10000111.5P1640 Y1641 T1645 W1646 R1647P1640-S1643 VanDerWaalsContact O-CB 3.29Å; P1640-S1643 WeakPolarHBondContact O-CB 3.31Å; P1640-S1643 PolarHBondContact O-N 3.48Å; P1640-S1643 PolarHBondContact O-OG 2.78Å; Y1641-S1643 VanDerWaalsContact C-N 3.34Å; S1643-T1645 PolarHBondContact O-N 3.18Å; S1643-T1645 PolarHBondContact OG-OG1 2.92Å; S1643-W1646 PolarHBondContact O-N 3.35Å; S1643-W1646 WeakPolarHBondContact OG-CB 3.46Å; S1643-W1646 PolarHBondContact OG-N 2.78Å; S1643-R1647 PolarHBondContact O-N 3.46Å
1644I77.1Confident79.6Confident112 Ų11269.6 Ų69.657%0.57436%0.358SS*.Hα-helixtrans-60.8-41179.3-60.8173.2000109.7R1647 T1648I1644-R1647 PolarHBondContact O-N 3.06Å; I1644-T1648 PolarHBondContact O-N 2.9Å; I1644-T1648 PolarHBondContact O-OG1 3.45Å; I1644-T1648 VanDerWaalsContact O-OG1 3.12Å
1645T81.1Confident79.2Confident107 Ų10772 Ų7266%0.65637%0.368SS*.Hα-helixtrans-57.7-50.3178.3460000112.8S1643 R1647 T1648 E1649S1643-T1645 PolarHBondContact O-N 3.18Å; S1643-T1645 PolarHBondContact OG-OG1 2.92Å; T1645-R1647 VanDerWaalsContact C-N 3.35Å; T1645-R1647 PolarHBondContact O-N 2.8Å; T1645-T1648 PolarHBondContact O-N 2.85Å; T1645-E1649 PolarHBondContact O-N 3.01Å; T1645-E1649 VanDerWaalsContact O-N 3.1Å
1646W85Confident79Confident78 Ų7872 Ų7230%0.29537%0.368SS..Hα-helixtrans-60.1-44.8178-179.4-86.8000112S1643 T1648 E1649 H1650 D1658S1643-W1646 PolarHBondContact O-N 3.35Å; S1643-W1646 WeakPolarHBondContact OG-CB 3.46Å; S1643-W1646 PolarHBondContact OG-N 2.78Å; W1646-T1648 PolarHBondContact O-N 2.88Å; W1646-E1649 PolarHBondContact O-N 3.36Å; W1646-H1650 AromaticContact CD2-CE1 3.95Å; W1646-H1650 AromaticContact CD2-ND1 3.7Å; W1646-H1650 AromaticContact CE2-ND1 3.76Å; W1646-H1650 AromaticContact CE3-CE1 3.81Å; W1646-H1650 AromaticContact CH2-CE1 3.88Å; W1646-H1650 AromaticContact CZ3-CE1 3.78Å; W1646-H1650 WeakPolarHBondContact O-CB 3.39Å; W1646-H1650 PolarHBondContact O-N 2.84Å; W1646-H1650 PolarHBondContact O-ND1 2.95Å; W1646-D1658 PolarHBondContact NE1-OD1 3.11Å
1647R78.4Confident79Confident103 Ų10376.4 Ų76.439%0.38939%0.392SS..Hα-helixtrans-60.8-41.9-179.6-108-174.4-68.2-167.3-6.8112.6N1642 S1643 I1644 T1645 Q1651 Q1665N1642-R1647 PolarHBondContact O-NH2 3.25Å; S1643-R1647 PolarHBondContact O-N 3.46Å; I1644-R1647 PolarHBondContact O-N 3.06Å; T1645-R1647 VanDerWaalsContact C-N 3.35Å; T1645-R1647 PolarHBondContact O-N 2.8Å; R1647-Q1651 WeakPolarHBondContact O-CA 3.2Å; R1647-Q1651 WeakPolarHBondContact O-CB 3.37Å; R1647-Q1651 PolarHBondContact O-N 3.41Å; R1647-Q1665 VanDerWaalsContact CZ-OE1 3.28Å
1648T80.6Confident79.3Confident93 Ų9375.3 Ų75.357%0.57138%0.381SS*.Hα-helixtrans-69.9-46.2179.4-55.80000111.6I1644 T1645 W1646 H1650 Q1651I1644-T1648 PolarHBondContact O-N 2.9Å; I1644-T1648 PolarHBondContact O-OG1 3.45Å; I1644-T1648 VanDerWaalsContact O-OG1 3.12Å; T1645-T1648 PolarHBondContact O-N 2.85Å; W1646-T1648 PolarHBondContact O-N 2.88Å; T1648-H1650 PolarHBondContact O-N 2.96Å; T1648-Q1651 PolarHBondContact O-N 2.91Å
1649E81.8Confident79.3Confident151 Ų15173.7 Ų73.771%0.70637%0.374SS*.Hα-helixtrans-60.7-45.6179.8-176.3176.3-153.800112T1645 W1646T1645-E1649 PolarHBondContact O-N 3.01Å; T1645-E1649 VanDerWaalsContact O-N 3.1Å; W1646-E1649 PolarHBondContact O-N 3.36Å
1650H82Confident79.2Confident43 Ų4374 Ų7420%0.19938%0.376CS..THydrogen-bonded Turntrans-92.58.9-175.2-64.681.2000113.6W1646 T1648 M1652 D1653 K1659W1646-H1650 AromaticContact CD2-CE1 3.95Å; W1646-H1650 AromaticContact CD2-ND1 3.7Å; W1646-H1650 AromaticContact CE2-ND1 3.76Å; W1646-H1650 AromaticContact CE3-CE1 3.81Å; W1646-H1650 AromaticContact CH2-CE1 3.88Å; W1646-H1650 AromaticContact CZ3-CE1 3.78Å; W1646-H1650 WeakPolarHBondContact O-CB 3.39Å; W1646-H1650 PolarHBondContact O-N 2.84Å; W1646-H1650 PolarHBondContact O-ND1 2.95Å; T1648-H1650 PolarHBondContact O-N 2.96Å; H1650-M1652 PolarHBondContact O-N 2.85Å; H1650-D1653 PolarHBondContact O-N 3.37Å; H1650-K1659 PolarHBondContact O-NZ 3.22Å
1651Q75.5Confident79.5Confident137 Ų13774 Ų7464%0.6437%0.366SS*.THydrogen-bonded Turntrans-58.6-44.4-170.9-171.7172.1-1400113.5R1647 T1648 K1659R1647-Q1651 WeakPolarHBondContact O-CA 3.2Å; R1647-Q1651 WeakPolarHBondContact O-CB 3.37Å; R1647-Q1651 PolarHBondContact O-N 3.41Å; T1648-Q1651 PolarHBondContact O-N 2.91Å; Q1651-K1659 PolarHBondContact O-NZ 3.15Å
1652M71Confident79.2Confident165 Ų16572.3 Ų72.381%0.81336%0.364SS*.THydrogen-bonded Turntrans-83-14.2-178-69.5-64.1-166.100114.3H1650 P1654H1650-M1652 PolarHBondContact O-N 2.85Å; M1652-P1654 VanDerWaalsContact O-CD 3.26Å; M1652-P1654 WeakPolarHBondContact O-CD 3.4Å
1653D78.2Confident79.3Confident59 Ų5972.7 Ų72.732%0.31637%0.367SS..  trans-84.5114.7-179.9-172.74.9000111.2H1650 M1655 S1656 K1659H1650-D1653 PolarHBondContact O-N 3.37Å; D1653-M1655 PolarHBondContact O-N 2.87Å; D1653-M1655 PolarHBondContact OD1-N 3.26Å; D1653-S1656 PolarHBondContact O-OG 2.85Å; D1653-K1659 PolarHBondContact O-NZ 2.65Å
1654P72Confident79.2Confident15 Ų1571.8 Ų71.810%0.09736%0.361CS..THydrogen-bonded Turntrans-71.7-15.517530.7-35.2000113.4M1652 P1880M1652-P1654 VanDerWaalsContact O-CD 3.26Å; M1652-P1654 WeakPolarHBondContact O-CD 3.4Å; P1654-P1880 HydrophobicContact CB-CB 4.07Å; P1654-P1880 WeakPolarHBondContact CG-O 3.19Å
1655M78Confident79.2Confident74 Ų7468.2 Ų68.237%0.36534%0.342SS..THydrogen-bonded Turntrans-98.86.8-174.6-60.1-65.4-86.100114D1653D1653-M1655 PolarHBondContact O-N 2.87Å; D1653-M1655 PolarHBondContact OD1-N 3.26Å
1656S81Confident78.9Confident5 Ų568 Ų684%0.03533%0.329CS..  trans-59141173.4430000111.9D1653 D1658 K1659 L1660D1653-S1656 PolarHBondContact O-OG 2.85Å; S1656-D1658 VanDerWaalsContact C-N 3.29Å; S1656-D1658 WeakPolarHBondContact CB-OD1 3.15Å; S1656-D1658 PolarHBondContact O-N 3.18Å; S1656-K1659 PolarHBondContact O-N 2.87Å; S1656-K1659 VanDerWaalsContact OG-CD 3.29Å; S1656-K1659 WeakPolarHBondContact OG-CD 3.37Å; S1656-K1659 VanDerWaalsContact OG-CE 3.31Å; S1656-K1659 WeakPolarHBondContact OG-CE 3.48Å; S1656-K1659 WeakPolarHBondContact OG-CG 3.21Å; S1656-L1660 WeakPolarHBondContact O-CB 3.46Å; S1656-L1660 PolarHBondContact O-N 3.38Å
1657L82.3Confident78.3Confident109 Ų10970.2 Ų70.257%0.57135%0.346SS*.Hα-helixtrans-58-38-169.9-69.2175.3000113.2L1660 F1661L1657-L1660 PolarHBondContact O-N 2.92Å; L1657-F1661 HydrophobicContact CD2-CE2 4.38Å; L1657-F1661 VanDerWaalsContact O-CD2 3.31Å; L1657-F1661 WeakPolarHBondContact O-CD2 3.04Å; L1657-F1661 PolarHBondContact O-N 2.67Å
1658D80.9Confident78.1Confident15 Ų1569.3 Ų69.38%0.0836%0.356CS..Hα-helixtrans-65.8-3617862.6-70.7000112.5Y1641 W1646 S1656 G1662 V1663 S1664Y1641-D1658 HydrophobicContact CD2-CB 4.3Å; W1646-D1658 PolarHBondContact NE1-OD1 3.11Å; S1656-D1658 VanDerWaalsContact C-N 3.29Å; S1656-D1658 WeakPolarHBondContact CB-OD1 3.15Å; S1656-D1658 PolarHBondContact O-N 3.18Å; D1658-G1662 PolarHBondContact O-N 3.08Å; D1658-V1663 PolarHBondContact O-N 3.49Å; D1658-S1664 PolarHBondContact O-N 3.04Å
1659K77.6Confident77.9Confident50 Ų5066.3 Ų66.322%0.21734%0.335CS..Hα-helixtrans-78-41.4175.6-62.1-178.9-157.3159.90111.9H1650 Q1651 D1653 S1656 G1662H1650-K1659 PolarHBondContact O-NZ 3.22Å; Q1651-K1659 PolarHBondContact O-NZ 3.15Å; D1653-K1659 PolarHBondContact O-NZ 2.65Å; S1656-K1659 PolarHBondContact O-N 2.87Å; S1656-K1659 VanDerWaalsContact OG-CD 3.29Å; S1656-K1659 WeakPolarHBondContact OG-CD 3.37Å; S1656-K1659 VanDerWaalsContact OG-CE 3.31Å; S1656-K1659 WeakPolarHBondContact OG-CE 3.48Å; S1656-K1659 WeakPolarHBondContact OG-CG 3.21Å; K1659-G1662 PolarHBondContact O-N 2.83Å; K1659-G1662 VanDerWaalsContact O-N 3.12Å
1660L81.1Confident77.7Confident49 Ų4959.2 Ų59.226%0.25730%0.302SS..Hα-helixtrans-61.7-44.4179.6-178.164.6000111.7L1592 S1656 L1657 G1662 L1877L1592-L1660 WeakPolarHBondContact CB-O 3.49Å; L1592-L1660 HydrophobicContact CD1-CD1 4.49Å; L1592-L1660 PolarHBondContact N-O 3.47Å; S1656-L1660 WeakPolarHBondContact O-CB 3.46Å; S1656-L1660 PolarHBondContact O-N 3.38Å; L1657-L1660 PolarHBondContact O-N 2.92Å; L1660-G1662 VanDerWaalsContact C-N 3.34Å; L1660-L1877 HydrophobicContact CD1-CD2 4.08Å
1661F84.3Confident77.7Confident94 Ų9461.3 Ų61.341%0.41231%0.314SS..Hα-helixtrans-76.3-20.7174.6-75-64.6000113.3L1592 I1593 L1657 V1663L1592-F1661 HydrophobicContact CB-CD1 4.38Å; I1593-F1661 HydrophobicContact CD1-CB 4.06Å; I1593-F1661 HydrophobicContact CD1-CD1 4.39Å; I1593-F1661 HydrophobicContact CG1-CB 4.18Å; I1593-F1661 HydrophobicContact CG1-CD1 3.99Å; I1593-F1661 WeakPolarHBondContact CG1-O 3.13Å; I1593-F1661 PolarHBondContact N-O 3.39Å; L1657-F1661 HydrophobicContact CD2-CE2 4.38Å; L1657-F1661 VanDerWaalsContact O-CD2 3.31Å; L1657-F1661 WeakPolarHBondContact O-CD2 3.04Å; L1657-F1661 PolarHBondContact O-N 2.67Å; F1661-V1663 HydrophobicContact CB-CG2 3.76Å
1662G77.8Confident78.2Confident15 Ų1558.9 Ų58.916%0.15530%0.299CS..THydrogen-bonded Turntrans81.436.7-177.400000113.5D1658 K1659 L1660D1658-G1662 PolarHBondContact O-N 3.08Å; K1659-G1662 PolarHBondContact O-N 2.83Å; K1659-G1662 VanDerWaalsContact O-N 3.12Å; L1660-G1662 VanDerWaalsContact C-N 3.34Å
1663V81.1Confident79Confident13 Ų1351.1 Ų51.18%0.07926%0.261CS..  trans-115.7-6.4-167.6-179.80000112.8I1593 C1634 Y1641 D1658 F1661I1593-V1663 HydrophobicContact CD1-CG2 3.55Å; C1634-V1663 HydrophobicContact CB-CG1 3.29Å; Y1641-V1663 HydrophobicContact CE2-CG1 4.38Å; D1658-V1663 PolarHBondContact O-N 3.49Å; F1661-V1663 HydrophobicContact CB-CG2 3.76Å
1664S76Confident79.4Confident21 Ų2149 Ų4915%0.14725%0.25CC..  trans-47.3138.3176.266.70000113.9D1658 R1666D1658-S1664 PolarHBondContact O-N 3.04Å; S1664-R1666 PolarHBondContact O-N 3.05Å
1665Q77Confident80.1Confident37 Ų3750.7 Ų50.717%0.17326%0.26CS..  trans-57.3128.9176.2-170.7-177.4-1.400112.3E1254 Q1635 R1647E1254-Q1665 PolarHBondContact OE1-NE2 2.96Å; Q1635-Q1665 VanDerWaalsContact OE1-CA 3.28Å; R1647-Q1665 VanDerWaalsContact CZ-OE1 3.28Å
1666R75Confident80.7Confident102 Ų10247.2 Ų47.239%0.38524%0.242SC..  trans-152138.4176.9-65.8-174.5-176.6-178.30.5111.9S1664 S1668 F1669S1664-R1666 PolarHBondContact O-N 3.05Å; R1666-S1668 PolarHBondContact O-N 3.38Å; R1666-F1669 HydrophobicContact CB-CB 4.44Å; R1666-F1669 WeakPolarHBondContact O-CB 3.49Å; R1666-F1669 PolarHBondContact O-N 2.77Å; R1666-F1669 VanDerWaalsContact O-N 3.12Å
1667D72.1Confident81.1Confident124 Ų12447 Ų4766%0.66324%0.241SC*.THydrogen-bonded Turntrans-51.1-16.8176.2-64.651.6000116K1256K1256-D1667 IonicContact NZ-OD2 3.37Å; K1256-D1667 PolarHBondContact NZ-OD2 3.41Å
1668S74.3Confident81.4Confident85 Ų8544.3 Ų44.359%0.59423%0.225SC*.THydrogen-bonded Turntrans-139.942179.7-64.30000112.4R1666 A1670R1666-S1668 PolarHBondContact O-N 3.38Å; S1668-A1670 VanDerWaalsContact C-N 3.28Å; S1668-A1670 PolarHBondContact O-N 3.3Å; S1668-A1670 VanDerWaalsContact O-N 3.17Å
1669F77.2Confident81.7Confident29 Ų2944.1 Ų44.113%0.12723%0.225CC..THydrogen-bonded Turntrans-55-30.6-172.767.6-87000116.1K1631 F1632 Q1635 R1666K1631-F1669 HydrophobicContact CB-CD2 3.83Å; K1631-F1669 HydrophobicContact CB-CE2 4.11Å; F1632-F1669 HydrophobicContact CB-CE2 4.27Å; F1632-F1669 HydrophobicContact CB-CZ 4.37Å; F1632-F1669 HydrophobicContact CD2-CZ 4.1Å; Q1635-F1669 HydrophobicContact CG-CB 4.43Å; Q1635-F1669 HydrophobicContact CG-CD1 3.56Å; Q1635-F1669 HydrophobicContact CG-CD2 3.94Å; Q1635-F1669 HydrophobicContact CG-CE1 3.68Å; Q1635-F1669 HydrophobicContact CG-CE2 4.02Å; Q1635-F1669 HydrophobicContact CG-CG 3.7Å; Q1635-F1669 HydrophobicContact CG-CZ 3.9Å; R1666-F1669 HydrophobicContact CB-CB 4.44Å; R1666-F1669 WeakPolarHBondContact O-CB 3.49Å; R1666-F1669 PolarHBondContact O-N 2.77Å; R1666-F1669 VanDerWaalsContact O-N 3.12Å
1670A77.4Confident82.3Confident2 Ų241.9 Ų41.92%0.01722%0.215CC..THydrogen-bonded Turntrans-112.7-0.5-172.600000115.7S1668 W1672 D1673 I1674S1668-A1670 VanDerWaalsContact C-N 3.28Å; S1668-A1670 PolarHBondContact O-N 3.3Å; S1668-A1670 VanDerWaalsContact O-N 3.17Å; A1670-W1672 VanDerWaalsContact C-N 3.33Å; A1670-W1672 PolarHBondContact O-N 3.32Å; A1670-D1673 WeakPolarHBondContact CA-OD2 3.47Å; A1670-D1673 WeakPolarHBondContact O-CB 3.5Å; A1670-D1673 PolarHBondContact O-N 3.46Å; A1670-I1674 HydrophobicContact CB-CD1 3.77Å; A1670-I1674 HydrophobicContact CB-CG1 4.3Å; A1670-I1674 VanDerWaalsContact O-CD1 3.3Å; A1670-I1674 WeakPolarHBondContact O-CD1 3.5Å; A1670-I1674 WeakPolarHBondContact O-CG1 3.46Å; A1670-I1674 PolarHBondContact O-N 3.39Å
1671L81Confident82.7Confident88 Ų8840 Ų4046%0.46121%0.205SC..Hα-helixtrans-55.7-44.1-166.7-175.2150000113.2I1674 V1675L1671-I1674 PolarHBondContact O-N 2.98Å; L1671-V1675 HydrophobicContact CD2-CG2 4.33Å; L1671-V1675 WeakPolarHBondContact O-CG2 3.42Å; L1671-V1675 PolarHBondContact O-N 2.94Å
1672W87Confident82.8Confident86 Ų8639.4 Ų39.433%0.32620%0.202SC..Hα-helixtrans-71.6-35.2178.4-67.8103.5000112.9M1584 M1588 A1670 I1674 V1675 L1676M1584-W1672 HydrophobicContact CB-CE3 4.23Å; M1584-W1672 HydrophobicContact CB-CZ3 4.38Å; M1588-W1672 HydrophobicContact CB-CG 4.26Å; M1588-W1672 HydrophobicContact CE-CZ2 4.5Å; M1588-W1672 HydrophobicContact CG-CD2 4.31Å; M1588-W1672 HydrophobicContact CG-CG 4.29Å; M1588-W1672 HydrophobicContact CG-CZ2 4.38Å; A1670-W1672 VanDerWaalsContact C-N 3.33Å; A1670-W1672 PolarHBondContact O-N 3.32Å; W1672-I1674 VanDerWaalsContact C-N 3.29Å; W1672-I1674 PolarHBondContact O-N 3.33Å; W1672-V1675 PolarHBondContact O-N 2.89Å; W1672-L1676 WeakPolarHBondContact O-CB 3.49Å; W1672-L1676 PolarHBondContact O-N 2.85Å
1673D87.1Confident83.4Confident1 Ų139.1 Ų39.11%0.00520%0.197CC..Hα-helixtrans-63.1-36.7173.4-49.7-91.4000111.2T1585 I1628 K1631 A1670 L1676 L1677T1585-D1673 WeakPolarHBondContact CG2-OD1 3.42Å; I1628-D1673 HydrophobicContact CD1-CB 4.08Å; I1628-D1673 HydrophobicContact CG1-CB 3.67Å; K1631-D1673 IonicContact NZ-OD1 3.73Å; K1631-D1673 PolarHBondContact NZ-OD1 3.45Å; K1631-D1673 IonicContact NZ-OD2 2.68Å; K1631-D1673 PolarHBondContact NZ-OD2 3.4Å; A1670-D1673 WeakPolarHBondContact CA-OD2 3.47Å; A1670-D1673 WeakPolarHBondContact O-CB 3.5Å; A1670-D1673 PolarHBondContact O-N 3.46Å; D1673-L1676 PolarHBondContact O-N 3.42Å; D1673-L1677 WeakPolarHBondContact O-CB 3.28Å; D1673-L1677 PolarHBondContact O-N 3.19Å
1674I86.7Confident83.7Confident16 Ų1639.2 Ų39.28%0.08220%0.196CC..Hα-helixtrans-71.7-40.9176.9-64.3150.6000111.7L1139 I1143 I1628 A1670 L1671 W1672 L1676 L1677 F1678L1139-I1674 HydrophobicContact CD2-CG2 4.06Å; I1143-I1674 HydrophobicContact CD1-CD1 3.28Å; I1143-I1674 HydrophobicContact CD1-CG1 4.06Å; I1143-I1674 HydrophobicContact CD1-CG2 4.37Å; I1143-I1674 HydrophobicContact CG1-CD1 3.76Å; I1143-I1674 HydrophobicContact CG2-CD1 3.95Å; I1628-I1674 HydrophobicContact CD1-CG1 4.25Å; A1670-I1674 HydrophobicContact CB-CD1 3.77Å; A1670-I1674 HydrophobicContact CB-CG1 4.3Å; A1670-I1674 VanDerWaalsContact O-CD1 3.3Å; A1670-I1674 WeakPolarHBondContact O-CD1 3.5Å; A1670-I1674 WeakPolarHBondContact O-CG1 3.46Å; A1670-I1674 PolarHBondContact O-N 3.39Å; L1671-I1674 PolarHBondContact O-N 2.98Å; W1672-I1674 VanDerWaalsContact C-N 3.29Å; W1672-I1674 PolarHBondContact O-N 3.33Å; I1674-L1676 VanDerWaalsContact C-N 3.31Å; I1674-L1676 PolarHBondContact O-N 3.43Å; I1674-L1677 WeakPolarHBondContact O-CB 3.31Å; I1674-L1677 PolarHBondContact O-N 2.96Å; I1674-F1678 HydrophobicContact CG2-CD2 3.76Å; I1674-F1678 HydrophobicContact CG2-CE2 3.35Å; I1674-F1678 HydrophobicContact CG2-CZ 4.08Å; I1674-F1678 VanDerWaalsContact O-CD2 3.31Å; I1674-F1678 WeakPolarHBondContact O-CD2 3.23Å; I1674-F1678 PolarHBondContact O-N 3.28Å
1675V87.3Confident84.1Confident50 Ų5039.3 Ų39.330%0.30319%0.193SC..Hα-helixtrans-61.9-42.2172.8170.60000110.5F1581 L1671 W1672 F1678 S1679F1581-V1675 HydrophobicContact CD1-CG1 3.73Å; F1581-V1675 HydrophobicContact CD2-CG1 4.33Å; F1581-V1675 HydrophobicContact CE1-CG1 3.65Å; F1581-V1675 HydrophobicContact CE2-CG1 4.25Å; F1581-V1675 HydrophobicContact CG-CG1 4.09Å; F1581-V1675 HydrophobicContact CZ-CG1 3.92Å; L1671-V1675 HydrophobicContact CD2-CG2 4.33Å; L1671-V1675 WeakPolarHBondContact O-CG2 3.42Å; L1671-V1675 PolarHBondContact O-N 2.94Å; W1672-V1675 PolarHBondContact O-N 2.89Å; V1675-F1678 PolarHBondContact O-N 3.23Å; V1675-S1679 WeakPolarHBondContact O-CB 3.44Å; V1675-S1679 PolarHBondContact O-N 3.17Å
1676L90.8Very high84.4Confident0 Ų038.3 Ų38.30%019%0.188CC..Hα-helixtrans-62.5-44.7173.2178.559.3000111.5C1578 F1581 A1582 L1597 M1620 T1624 W1672 D1673 I1674 F1678 S1679 L1680C1578-L1676 WeakPolarHBondContact O-CD1 3.36Å; F1581-L1676 HydrophobicContact CB-CB 4.23Å; F1581-L1676 HydrophobicContact CB-CD1 3.81Å; A1582-L1676 HydrophobicContact CB-CD1 4.32Å; A1582-L1676 HydrophobicContact CB-CD2 4.39Å; L1597-L1676 HydrophobicContact CD1-CD2 3.98Å; L1597-L1676 HydrophobicContact CD2-CD2 4.4Å; M1620-L1676 HydrophobicContact CE-CD1 4.07Å; T1624-L1676 HydrophobicContact CG2-CD2 3.58Å; T1624-L1676 HydrophobicContact CG2-CG 4Å; W1672-L1676 WeakPolarHBondContact O-CB 3.49Å; W1672-L1676 PolarHBondContact O-N 2.85Å; D1673-L1676 PolarHBondContact O-N 3.42Å; I1674-L1676 VanDerWaalsContact C-N 3.31Å; I1674-L1676 PolarHBondContact O-N 3.43Å; L1676-F1678 PolarHBondContact O-N 3Å; L1676-S1679 PolarHBondContact O-N 3.11Å; L1676-L1680 HydrophobicContact CD1-CD1 4.1Å; L1676-L1680 HydrophobicContact CD1-CG 4.2Å; L1676-L1680 HydrophobicContact CG-CD1 3.95Å; L1676-L1680 HydrophobicContact CG-CG 4.5Å; L1676-L1680 WeakPolarHBondContact O-CB 3.4Å; L1676-L1680 VanDerWaalsContact O-CG 3.26Å; L1676-L1680 WeakPolarHBondContact O-CG 3.28Å; L1676-L1680 PolarHBondContact O-N 3.03Å
1677L90.1Very high84.8Confident1 Ų134.6 Ų34.61%0.00518%0.176CC..Hα-helixtrans-56.6-49.1175.8-172.570.9000111.2L1158 L1161 E1625 I1628 D1673 I1674 L1680 F1681L1158-L1677 HydrophobicContact CD2-CD2 3.81Å; L1161-L1677 HydrophobicContact CD2-CD2 4.39Å; E1625-L1677 HydrophobicContact CG-CD1 3.67Å; I1628-L1677 HydrophobicContact CD1-CB 4.25Å; I1628-L1677 HydrophobicContact CD1-CD2 3.9Å; D1673-L1677 WeakPolarHBondContact O-CB 3.28Å; D1673-L1677 PolarHBondContact O-N 3.19Å; I1674-L1677 WeakPolarHBondContact O-CB 3.31Å; I1674-L1677 PolarHBondContact O-N 2.96Å; L1677-L1680 PolarHBondContact O-N 3.41Å; L1677-F1681 HydrophobicContact CD1-CD2 4.03Å; L1677-F1681 HydrophobicContact CD1-CE2 3.76Å; L1677-F1681 HydrophobicContact CG-CD2 3.98Å; L1677-F1681 HydrophobicContact CG-CE2 4.07Å; L1677-F1681 WeakPolarHBondContact O-CD2 3.47Å; L1677-F1681 PolarHBondContact O-N 2.92Å
1678F87.1Confident85.1Confident52 Ų5232.2 Ų32.223%0.22816%0.158CC..Hα-helixtrans-68.5-33.8177.6-66.3-41.9000113.3M1136 L1139 L1161 I1674 V1675 L1676 F1681 F1682M1136-F1678 HydrophobicContact CE-CD1 3.82Å; M1136-F1678 HydrophobicContact CE-CE1 3.17Å; M1136-F1678 HydrophobicContact CE-CE2 4.32Å; M1136-F1678 HydrophobicContact CE-CZ 3.44Å; M1136-F1678 VanDerWaalsContact CE-CZ 3.44Å; M1136-F1678 HydrophobicContact SD-CD1 3.74Å; M1136-F1678 HydrophobicContact SD-CD2 3.9Å; M1136-F1678 HydrophobicContact SD-CE1 3.42Å; M1136-F1678 WeakPolarHBondContact SD-CE1 3.12Å; M1136-F1678 HydrophobicContact SD-CE2 3.54Å; M1136-F1678 VanDerWaalsContact SD-CE2 3.54Å; M1136-F1678 HydrophobicContact SD-CG 3.99Å; M1136-F1678 HydrophobicContact SD-CZ 3.28Å; M1136-F1678 WeakPolarHBondContact SD-CZ 3.15Å; L1139-F1678 HydrophobicContact CD2-CE1 4.15Å; L1139-F1678 HydrophobicContact CD2-CE2 4.11Å; L1139-F1678 HydrophobicContact CD2-CZ 3.4Å; L1161-F1678 HydrophobicContact CD1-CE1 4.27Å; L1161-F1678 HydrophobicContact CD2-CD1 4.37Å; L1161-F1678 HydrophobicContact CD2-CE1 4.01Å; I1674-F1678 HydrophobicContact CG2-CD2 3.76Å; I1674-F1678 HydrophobicContact CG2-CE2 3.35Å; I1674-F1678 HydrophobicContact CG2-CZ 4.08Å; I1674-F1678 VanDerWaalsContact O-CD2 3.31Å; I1674-F1678 WeakPolarHBondContact O-CD2 3.23Å; I1674-F1678 PolarHBondContact O-N 3.28Å; V1675-F1678 PolarHBondContact O-N 3.23Å; L1676-F1678 PolarHBondContact O-N 3Å; F1678-F1681 PolarHBondContact O-N 2.6Å; F1678-F1682 WeakPolarHBondContact O-CB 3.32Å; F1678-F1682 PolarHBondContact O-N 3.38Å
1679S88.4Confident85.3Confident12 Ų1231.4 Ų31.48%0.08414%0.144CC..Hα-helixtrans-62.4-42.6171.1-168.80000111.6C1578 F1581 V1675 L1676 F1682 H1683C1578-S1679 PolarHBondContact SG-OG 3.03Å; C1578-S1679 VanDerWaalsContact SG-OG 3.39Å; F1581-S1679 WeakPolarHBondContact CD2-OG 3.44Å; V1675-S1679 WeakPolarHBondContact O-CB 3.44Å; V1675-S1679 PolarHBondContact O-N 3.17Å; L1676-S1679 PolarHBondContact O-N 3.11Å; S1679-F1682 PolarHBondContact O-N 2.97Å; S1679-H1683 WeakPolarHBondContact O-CB 3.49Å; S1679-H1683 PolarHBondContact O-N 3.27Å
1680L90.6Very high85.2Confident2 Ų231 Ų311%0.0114%0.143CC..Hα-helixtrans-67.4-40.6176.5-70.4165.1000112.7C1578 W1617 M1620 I1621 T1624 L1676 L1677 H1683 R1684C1578-L1680 HydrophobicContact CB-CD2 4.11Å; W1617-L1680 HydrophobicContact CE3-CD2 3.7Å; W1617-L1680 HydrophobicContact CZ3-CD2 3.74Å; M1620-L1680 HydrophobicContact CB-CD2 4.41Å; M1620-L1680 HydrophobicContact CE-CD2 3.96Å; M1620-L1680 HydrophobicContact CG-CD1 4Å; M1620-L1680 HydrophobicContact CG-CD2 3.9Å; M1620-L1680 HydrophobicContact SD-CD2 3.7Å; I1621-L1680 HydrophobicContact CD1-CB 4.35Å; I1621-L1680 HydrophobicContact CG1-CB 3.71Å; I1621-L1680 HydrophobicContact CG1-CD1 4.23Å; I1621-L1680 HydrophobicContact CG1-CG 4.39Å; T1624-L1680 HydrophobicContact CG2-CD1 4.02Å; L1676-L1680 HydrophobicContact CD1-CD1 4.1Å; L1676-L1680 HydrophobicContact CD1-CG 4.2Å; L1676-L1680 HydrophobicContact CG-CD1 3.95Å; L1676-L1680 HydrophobicContact CG-CG 4.5Å; L1676-L1680 WeakPolarHBondContact O-CB 3.4Å; L1676-L1680 VanDerWaalsContact O-CG 3.26Å; L1676-L1680 WeakPolarHBondContact O-CG 3.28Å; L1676-L1680 PolarHBondContact O-N 3.03Å; L1677-L1680 PolarHBondContact O-N 3.41Å; L1680-H1683 PolarHBondContact O-N 3.09Å; L1680-R1684 VanDerWaalsContact O-CB 3.27Å; L1680-R1684 WeakPolarHBondContact O-CB 3.16Å; L1680-R1684 PolarHBondContact O-N 2.87Å
1681F88.5Confident84.9Confident10 Ų1031 Ų314%0.04414%0.143CC..Hα-helixtrans-67.7-35.5173-88.8-78.9000112.4L1161 W1162 I1621 E1625 L1677 F1678 R1684 Y1685L1161-F1681 HydrophobicContact CB-CZ 4.43Å; L1161-F1681 HydrophobicContact CD2-CD1 4.37Å; L1161-F1681 HydrophobicContact CD2-CD2 3.49Å; L1161-F1681 VanDerWaalsContact CD2-CD2 3.49Å; L1161-F1681 HydrophobicContact CD2-CE1 4.37Å; L1161-F1681 HydrophobicContact CD2-CE2 3.49Å; L1161-F1681 VanDerWaalsContact CD2-CE2 3.49Å; L1161-F1681 HydrophobicContact CD2-CG 3.96Å; L1161-F1681 HydrophobicContact CD2-CZ 3.96Å; L1161-F1681 HydrophobicContact CG-CD1 4.02Å; L1161-F1681 HydrophobicContact CG-CD2 4.05Å; L1161-F1681 HydrophobicContact CG-CE1 4.03Å; L1161-F1681 HydrophobicContact CG-CE2 4.06Å; L1161-F1681 HydrophobicContact CG-CG 4.03Å; L1161-F1681 HydrophobicContact CG-CZ 4.05Å; L1161-F1681 VanDerWaalsContact O-CE1 3.3Å; L1161-F1681 WeakPolarHBondContact O-CE1 3.29Å; W1162-F1681 HydrophobicContact CE3-CZ 4.33Å; I1621-F1681 HydrophobicContact CG2-CE2 4Å; I1621-F1681 HydrophobicContact CG2-CZ 4.16Å; E1625-F1681 WeakPolarHBondContact OE1-CE2 3.37Å; E1625-F1681 WeakPolarHBondContact OE1-CZ 3.29Å; L1677-F1681 HydrophobicContact CD1-CD2 4.03Å; L1677-F1681 HydrophobicContact CD1-CE2 3.76Å; L1677-F1681 HydrophobicContact CG-CD2 3.98Å; L1677-F1681 HydrophobicContact CG-CE2 4.07Å; L1677-F1681 WeakPolarHBondContact O-CD2 3.47Å; L1677-F1681 PolarHBondContact O-N 2.92Å; F1678-F1681 PolarHBondContact O-N 2.6Å; F1681-R1684 PolarHBondContact O-N 2.8Å; F1681-Y1685 WeakPolarHBondContact O-CB 3.43Å; F1681-Y1685 PolarHBondContact O-N 3.39Å
1682F87Confident84.6Confident82 Ų8228 Ų2836%0.3613%0.128SC..Hα-helixtrans-67.5-43.3172.8-177.8-110.7000111.7I1570 T1574 F1678 S1679 Y1685 M1686I1570-F1682 HydrophobicContact CG2-CE1 4.15Å; T1574-F1682 HydrophobicContact CG2-CD1 3.64Å; T1574-F1682 HydrophobicContact CG2-CE1 3.42Å; T1574-F1682 VanDerWaalsContact CG2-CE1 3.42Å; F1678-F1682 WeakPolarHBondContact O-CB 3.32Å; F1678-F1682 PolarHBondContact O-N 3.38Å; S1679-F1682 PolarHBondContact O-N 2.97Å; F1682-Y1685 HydrophobicContact CD2-CD1 4.18Å; F1682-Y1685 HydrophobicContact CE2-CD1 4.29Å; F1682-Y1685 WeakPolarHBondContact O-CB 3.49Å; F1682-Y1685 PolarHBondContact O-N 3.25Å; F1682-M1686 HydrophobicContact CD1-CG 4.38Å; F1682-M1686 HydrophobicContact CD2-CG 4.49Å; F1682-M1686 HydrophobicContact CE1-CG 4Å; F1682-M1686 HydrophobicContact CE2-CG 4.11Å; F1682-M1686 HydrophobicContact CE2-SD 4.27Å; F1682-M1686 HydrophobicContact CZ-CG 3.84Å; F1682-M1686 HydrophobicContact CZ-SD 4.09Å; F1682-M1686 WeakPolarHBondContact O-CG 3.41Å; F1682-M1686 PolarHBondContact O-N 2.99Å
1683H89.3Confident84.1Confident9 Ų925.4 Ų25.44%0.04212%0.118CC..Hα-helixtrans-61.4-45.8173-176.764.5000111.3T1574 W1617 S1679 L1680 Y1685 M1686 L1687T1574-H1683 WeakPolarHBondContact CB-ND1 3.37Å; T1574-H1683 PolarHBondContact OG1-ND1 3.36Å; W1617-H1683 AromaticContact CD2-CD2 3.59Å; W1617-H1683 AromaticContact CD2-NE2 3.7Å; W1617-H1683 AromaticContact CE2-CD2 3.55Å; W1617-H1683 AromaticContact CE2-NE2 3.14Å; W1617-H1683 AromaticContact CE3-CD2 3.72Å; W1617-H1683 AromaticContact CH2-CD2 3.82Å; W1617-H1683 AromaticContact CH2-NE2 3.75Å; W1617-H1683 AromaticContact CZ2-CD2 3.68Å; W1617-H1683 AromaticContact CZ2-CE1 3.99Å; W1617-H1683 AromaticContact CZ2-NE2 3.18Å; W1617-H1683 WeakPolarHBondContact CZ2-NE2 3.46Å; W1617-H1683 AromaticContact CZ3-CD2 3.83Å; W1617-H1683 AromaticContact NE1-NE2 3.48Å; W1617-H1683 PolarHBondContact NE1-NE2 3.42Å; S1679-H1683 WeakPolarHBondContact O-CB 3.49Å; S1679-H1683 PolarHBondContact O-N 3.27Å; L1680-H1683 PolarHBondContact O-N 3.09Å; H1683-Y1685 VanDerWaalsContact C-N 3.31Å; H1683-Y1685 PolarHBondContact O-N 3.39Å; H1683-M1686 PolarHBondContact O-N 3.08Å; H1683-L1687 VanDerWaalsContact NE2-CD1 3.3Å; H1683-L1687 WeakPolarHBondContact NE2-CD1 3.08Å; H1683-L1687 WeakPolarHBondContact O-CB 3.48Å; H1683-L1687 WeakPolarHBondContact O-CG 3.43Å; H1683-L1687 PolarHBondContact O-N 3.28Å
1684R87.9Confident83.2Confident15 Ų1532.7 Ų32.76%0.05715%0.149CC..Hα-helixtrans-58-39.5171.9171176.5163.4163.8-3.7112.4W1162 I1621 L1680 F1681 R1688 W1693W1162-R1684 VanDerWaalsContact CZ3-NH1 3.32Å; W1162-R1684 PolarHBondContact O-NH2 2.83Å; I1621-R1684 HydrophobicContact CD1-CB 4.43Å; L1680-R1684 VanDerWaalsContact O-CB 3.27Å; L1680-R1684 WeakPolarHBondContact O-CB 3.16Å; L1680-R1684 PolarHBondContact O-N 2.87Å; F1681-R1684 PolarHBondContact O-N 2.8Å; R1684-R1688 WeakPolarHBondContact O-CB 3.22Å; R1684-R1688 VanDerWaalsContact O-CG 3.28Å; R1684-R1688 WeakPolarHBondContact O-CG 3.48Å; R1684-R1688 PolarHBondContact O-N 2.93Å; R1684-W1693 HydrophobicContact CB-CE3 4.48Å; R1684-W1693 HydrophobicContact CB-CH2 4.4Å; R1684-W1693 HydrophobicContact CB-CZ3 3.99Å; R1684-W1693 HydrophobicContact CG-CE3 4.27Å; R1684-W1693 HydrophobicContact CG-CH2 4.05Å; R1684-W1693 HydrophobicContact CG-CZ2 4.43Å; R1684-W1693 HydrophobicContact CG-CZ3 3.96Å
1685Y84.7Confident81.8Confident22 Ų2237.4 Ų37.49%0.08618%0.175CC..Hα-helixtrans-65.8-47.7174.2167-122.2000111.5N1165 F1681 F1682 H1683 R1688 K1689N1165-Y1685 WeakPolarHBondContact ND2-CE2 3.47Å; F1681-Y1685 WeakPolarHBondContact O-CB 3.43Å; F1681-Y1685 PolarHBondContact O-N 3.39Å; F1682-Y1685 HydrophobicContact CD2-CD1 4.18Å; F1682-Y1685 HydrophobicContact CE2-CD1 4.29Å; F1682-Y1685 WeakPolarHBondContact O-CB 3.49Å; F1682-Y1685 PolarHBondContact O-N 3.25Å; H1683-Y1685 VanDerWaalsContact C-N 3.31Å; H1683-Y1685 PolarHBondContact O-N 3.39Å; Y1685-R1688 PolarHBondContact O-N 3.43Å; Y1685-R1688 VanDerWaalsContact O-N 3.16Å; Y1685-K1689 HydrophobicContact CE2-CB 4.43Å; Y1685-K1689 HydrophobicContact CE2-CD 4.4Å; Y1685-K1689 WeakPolarHBondContact O-CB 3.49Å; Y1685-K1689 PolarHBondContact O-N 3.17Å
1686M83.9Confident80.2Confident16 Ų1636.2 Ų36.28%0.07917%0.17CC..Hα-helixtrans-63.8-43.8178.1-69.8-59.2-6500112.3H1492 T1574 F1682 H1683 R1688 K1689 L1690H1492-M1686 WeakPolarHBondContact NE2-CE 3.48Å; T1574-M1686 HydrophobicContact CG2-CB 4.46Å; T1574-M1686 HydrophobicContact CG2-CG 4.11Å; F1682-M1686 HydrophobicContact CD1-CG 4.38Å; F1682-M1686 HydrophobicContact CD2-CG 4.49Å; F1682-M1686 HydrophobicContact CE1-CG 4Å; F1682-M1686 HydrophobicContact CE2-CG 4.11Å; F1682-M1686 HydrophobicContact CE2-SD 4.27Å; F1682-M1686 HydrophobicContact CZ-CG 3.84Å; F1682-M1686 HydrophobicContact CZ-SD 4.09Å; F1682-M1686 WeakPolarHBondContact O-CG 3.41Å; F1682-M1686 PolarHBondContact O-N 2.99Å; H1683-M1686 PolarHBondContact O-N 3.08Å; M1686-R1688 VanDerWaalsContact C-N 3.28Å; M1686-R1688 PolarHBondContact O-N 2.99Å; M1686-K1689 PolarHBondContact O-N 3.39Å; M1686-K1689 HydrophobicContact SD-CD 4.4Å; M1686-L1690 WeakPolarHBondContact O-CB 3.49Å; M1686-L1690 WeakPolarHBondContact O-CG 3.42Å; M1686-L1690 PolarHBondContact O-N 2.81Å
1687L81.4Confident78.5Confident25 Ų2543 Ų4313%0.13121%0.207CC..Hα-helixtrans-60.3-35.3172.5-72.8-176.4000112.4H1683 G1691 L1692 W1693H1683-L1687 VanDerWaalsContact NE2-CD1 3.3Å; H1683-L1687 WeakPolarHBondContact NE2-CD1 3.08Å; H1683-L1687 WeakPolarHBondContact O-CB 3.48Å; H1683-L1687 WeakPolarHBondContact O-CG 3.43Å; H1683-L1687 PolarHBondContact O-N 3.28Å; L1687-G1691 CarbonylContact O-C 3.56Å; L1687-G1691 PolarHBondContact O-N 2.87Å; L1687-G1691 VanDerWaalsContact O-N 3.16Å; L1687-L1692 HydrophobicContact CB-CB 4.46Å; L1687-L1692 HydrophobicContact CD2-CB 3.67Å; L1687-L1692 HydrophobicContact CD2-CD1 4Å; L1687-L1692 HydrophobicContact CD2-CG 4.5Å; L1687-L1692 PolarHBondContact O-N 3.25Å; L1687-W1693 HydrophobicContact CB-CB 4.27Å; L1687-W1693 HydrophobicContact CB-CE3 4.05Å; L1687-W1693 HydrophobicContact CD1-CE3 3.74Å; L1687-W1693 HydrophobicContact CD1-CZ3 4.08Å; L1687-W1693 PolarHBondContact O-N 3.38Å; L1687-W1693 VanDerWaalsContact O-N 3.16Å
1688R79.6Confident76.7Confident73 Ų7347.8 Ų47.828%0.27523%0.232SC..Hα-helixtrans-73.2-44174.4-76.9179.6-179.5-1654.3112.2R1684 Y1685 M1686 L1690 G1691 W1693R1684-R1688 WeakPolarHBondContact O-CB 3.22Å; R1684-R1688 VanDerWaalsContact O-CG 3.28Å; R1684-R1688 WeakPolarHBondContact O-CG 3.48Å; R1684-R1688 PolarHBondContact O-N 2.93Å; Y1685-R1688 PolarHBondContact O-N 3.43Å; Y1685-R1688 VanDerWaalsContact O-N 3.16Å; M1686-R1688 VanDerWaalsContact C-N 3.28Å; M1686-R1688 PolarHBondContact O-N 2.99Å; R1688-L1690 VanDerWaalsContact C-N 3.33Å; R1688-L1690 PolarHBondContact O-N 3.43Å; R1688-G1691 PolarHBondContact O-N 3.18Å; R1688-W1693 HydrophobicContact CG-CB 3.84Å; R1688-W1693 HydrophobicContact CG-CD2 4.45Å; R1688-W1693 HydrophobicContact CG-CG 3.9Å
1689K78Confident75.1Confident69 Ų6950 Ų5030%0.325%0.249SC..Hα-helixtrans-61.3-38.6178.9-178.9172.9-173.7175.20112.9Y1685 M1686Y1685-K1689 HydrophobicContact CE2-CB 4.43Å; Y1685-K1689 HydrophobicContact CE2-CD 4.4Å; Y1685-K1689 WeakPolarHBondContact O-CB 3.49Å; Y1685-K1689 PolarHBondContact O-N 3.17Å; M1686-K1689 PolarHBondContact O-N 3.39Å; M1686-K1689 HydrophobicContact SD-CD 4.4Å
1690L76.2Confident73.3Confident20 Ų2053.3 Ų53.311%0.10527%0.266CS..THydrogen-bonded Turntrans-84.4-8.7174.5-62.2170.5000113G1299 A1300 V1495 L1499 M1686 R1688 L1692G1299-L1690 CarbonylContact C-O 3.48Å; G1299-L1690 WeakPolarHBondContact CA-O 3.48Å; G1299-L1690 PolarHBondContact N-O 3.06Å; A1300-L1690 PolarHBondContact N-O 3.45Å; V1495-L1690 HydrophobicContact CG1-CD2 3.98Å; L1499-L1690 HydrophobicContact CD1-CD2 4.3Å; M1686-L1690 WeakPolarHBondContact O-CB 3.49Å; M1686-L1690 WeakPolarHBondContact O-CG 3.42Å; M1686-L1690 PolarHBondContact O-N 2.81Å; R1688-L1690 VanDerWaalsContact C-N 3.33Å; R1688-L1690 PolarHBondContact O-N 3.43Å; L1690-L1692 HydrophobicContact CB-CD1 3.81Å; L1690-L1692 HydrophobicContact CB-CG 4.09Å; L1690-L1692 HydrophobicContact CD1-CD1 3.96Å
1691G71.3Confident71.9Confident3 Ų354.7 Ų54.73%0.03128%0.275CS..THydrogen-bonded Turntrans73.323.8-179.200000115.6A1296 L1687 R1688A1296-G1691 VanDerWaalsContact C-CA 3.48Å; A1296-G1691 CarbonylContact O-C 3.54Å; A1296-G1691 WeakPolarHBondContact O-CA 3.11Å; L1687-G1691 CarbonylContact O-C 3.56Å; L1687-G1691 PolarHBondContact O-N 2.87Å; L1687-G1691 VanDerWaalsContact O-N 3.16Å; R1688-G1691 PolarHBondContact O-N 3.18Å
1692L74.3Confident70.6Confident25 Ų2557.3 Ų57.313%0.13129%0.286CS..  trans-89.2-13179.1-65.6163.1000113.5A1300 R1611 L1687 L1690 K1694A1300-L1692 HydrophobicContact CB-CD2 3.84Å; R1611-L1692 PolarHBondContact NH1-O 3.09Å; R1611-L1692 PolarHBondContact NH2-O 3.31Å; L1687-L1692 HydrophobicContact CB-CB 4.46Å; L1687-L1692 HydrophobicContact CD2-CB 3.67Å; L1687-L1692 HydrophobicContact CD2-CD1 4Å; L1687-L1692 HydrophobicContact CD2-CG 4.5Å; L1687-L1692 PolarHBondContact O-N 3.25Å; L1690-L1692 HydrophobicContact CB-CD1 3.81Å; L1690-L1692 HydrophobicContact CB-CG 4.09Å; L1690-L1692 HydrophobicContact CD1-CD1 3.96Å; L1692-K1694 VanDerWaalsContact C-N 3.28Å; L1692-K1694 PolarHBondContact O-N 3.2Å
1693W77Confident68.9Low31 Ų3158.2 Ų58.212%0.11730%0.298CS..SBendtrans-69.6-15.2-173.6-175-97.3000115.6K1614 W1617 V1618 R1684 L1687 R1688K1614-W1693 HydrophobicContact CG-CZ2 4.08Å; W1617-W1693 HydrophobicContact CB-CH2 4.21Å; W1617-W1693 HydrophobicContact CB-CZ3 4.08Å; V1618-W1693 HydrophobicContact CG2-CH2 3.98Å; V1618-W1693 HydrophobicContact CG2-CZ2 3.78Å; R1684-W1693 HydrophobicContact CB-CE3 4.48Å; R1684-W1693 HydrophobicContact CB-CH2 4.4Å; R1684-W1693 HydrophobicContact CB-CZ3 3.99Å; R1684-W1693 HydrophobicContact CG-CE3 4.27Å; R1684-W1693 HydrophobicContact CG-CH2 4.05Å; R1684-W1693 HydrophobicContact CG-CZ2 4.43Å; R1684-W1693 HydrophobicContact CG-CZ3 3.96Å; L1687-W1693 HydrophobicContact CB-CB 4.27Å; L1687-W1693 HydrophobicContact CB-CE3 4.05Å; L1687-W1693 HydrophobicContact CD1-CE3 3.74Å; L1687-W1693 HydrophobicContact CD1-CZ3 4.08Å; L1687-W1693 PolarHBondContact O-N 3.38Å; L1687-W1693 VanDerWaalsContact O-N 3.16Å; R1688-W1693 HydrophobicContact CG-CB 3.84Å; R1688-W1693 HydrophobicContact CG-CD2 4.45Å; R1688-W1693 HydrophobicContact CG-CG 3.9Å
1694K67.6Low67Low153 Ų15365.4 Ų65.467%0.66534%0.337SS*.SBendtrans-113.1151.4168.2-73.9-173.8175.2-173.70108.8R1611 L1692 A1696R1611-K1694 PolarHBondContact NH2-O 2.99Å; L1692-K1694 VanDerWaalsContact C-N 3.28Å; L1692-K1694 PolarHBondContact O-N 3.2Å; K1694-A1696 PolarHBondContact O-N 3.17Å
1695D56.2Low64.2Low116 Ų11673.1 Ų73.162%0.6237%0.37SS*.PPolyproline II helixtrans-75.5120.6175.1-60.5-50.2000109.7R1611R1611-D1695 IonicContact CZ-OD1 2.68Å; R1611-D1695 IonicContact NE-OD1 2.94Å; R1611-D1695 IonicContact NH2-OD1 2.72Å; R1611-D1695 PolarHBondContact NH2-OD1 2.69Å
1696A54.2Low61.8Low24 Ų2481.5 Ų81.520%0.19841%0.41CS..PPolyproline II helixtrans-79.2135.6166.800000107.2A1300 K1694 L1698A1300-A1696 HydrophobicContact CB-CB 4.33Å; K1694-A1696 PolarHBondContact O-N 3.17Å; A1696-L1698 PolarHBondContact O-N 3.14Å
1697N54.5Low59.2Low144 Ų14488.7 Ų88.777%0.7744%0.444SS*.PPolyproline II helixtrans-58.1128.8178.9-123.61.7000109.2T1699N1697-T1699 PolarHBondContact O-N 3.22Å; N1697-T1699 PolarHBondContact O-OG1 3.27Å
1698L53.5Low56.8Low101 Ų10193.4 Ų93.453%0.52948%0.476SS..  trans-77.628.6-171.8-80.1149.2000113.7A1696 K1784 F1785A1696-L1698 PolarHBondContact O-N 3.14Å; L1698-K1784 PolarHBondContact O-NZ 2.91Å; L1698-F1785 HydrophobicContact CD2-CE2 4.22Å
1699T53Low54.4Low98 Ų98101.1 Ų101.160%0.60151%0.505SS*.SBendtrans-70.1138.3171.547.80000110N1697 T1701N1697-T1699 PolarHBondContact O-N 3.22Å; N1697-T1699 PolarHBondContact O-OG1 3.27Å; T1699-T1701 PolarHBondContact O-N 3.39Å
1700D51.3Low52.4Low82 Ų82103 Ų10344%0.43953%0.527SS..  trans-56.6126.4-165-59.5-29.2000113.1F1702 T1703 K1784D1700-F1702 VanDerWaalsContact C-N 3.26Å; D1700-F1702 PolarHBondContact O-N 3.43Å; D1700-T1703 HydrophobicContact CB-CG2 3.64Å; D1700-T1703 PolarHBondContact O-N 3.09Å; D1700-T1703 PolarHBondContact O-OG1 3.29Å; D1700-K1784 IonicContact OD1-NZ 3.96Å; D1700-K1784 PolarHBondContact OD1-NZ 3.42Å
1701T60.3Low50.3Low31 Ų31106.6 Ų106.619%0.1956%0.56CS.*THydrogen-bonded Turntrans-76.2-9.5-158.61.60000115.3V1301 N1304 Q1305 E1308 T1699V1301-T1701 HydrophobicContact CG1-CG2 4.16Å; N1304-T1701 HydrophobicContact CB-CG2 4.01Å; Q1305-T1701 HydrophobicContact CG-CG2 3.82Å; Q1305-T1701 PolarHBondContact NE2-O 3.37Å; E1308-T1701 WeakPolarHBondContact OE2-CB 3.37Å; E1308-T1701 PolarHBondContact OE2-N 3.49Å; E1308-T1701 PolarHBondContact OE2-OG1 2.92Å; T1699-T1701 PolarHBondContact O-N 3.39Å
1702F61.6Low48.5Very low64 Ų64112.3 Ų112.328%0.28160%0.599SS.*THydrogen-bonded Turntrans-121.742.3177.3-62.6-77.1000112.1Q1305 E1308 D1700 L1704Q1305-F1702 HydrophobicContact CB-CE1 4.23Å; Q1305-F1702 HydrophobicContact CB-CE2 4.02Å; Q1305-F1702 HydrophobicContact CB-CZ 3.58Å; Q1305-F1702 HydrophobicContact CG-CE1 3.96Å; Q1305-F1702 HydrophobicContact CG-CE2 4.06Å; Q1305-F1702 HydrophobicContact CG-CZ 3.71Å; Q1305-F1702 WeakPolarHBondContact O-CE2 3.42Å; E1308-F1702 HydrophobicContact CB-CE2 4.28Å; E1308-F1702 WeakPolarHBondContact OE2-CD2 3.32Å; D1700-F1702 VanDerWaalsContact C-N 3.26Å; D1700-F1702 PolarHBondContact O-N 3.43Å; F1702-L1704 PolarHBondContact O-N 3.48Å
1703T51.1Low46.5Very low101 Ų101113.9 Ų113.962%0.6262%0.621SS**  trans-10060-178.947.20000114.6D1700D1700-T1703 HydrophobicContact CB-CG2 3.64Å; D1700-T1703 PolarHBondContact O-N 3.09Å; D1700-T1703 PolarHBondContact O-OG1 3.29Å
1704L48.4Very low44.3Very low161 Ų161117.3 Ų117.384%0.84365%0.65SS**SBendtrans-137.990.7161.3-84.1174.7000110.7F1702F1702-L1704 PolarHBondContact O-N 3.48Å
1705K31.1Very low42.6Very low176 Ų176116.8 Ų116.877%0.76566%0.655SS**  trans71.598.4166.9-56.4174.4178173.40118.2
1706E32.4Very low41.5Very low198 Ų198117.9 Ų117.993%0.92567%0.666SS**  -130.470.8124.5-74-164153.300109
1707E29.3Very low40.3Very low168 Ų168120.4 Ų120.479%0.78569%0.694SS**  trans-70.1136.4156.2-78-177.4147.500108.1R1709E1707-R1709 PolarHBondContact O-N 2.88Å
1708P31.4Very low39.1Very low124 Ų124119.2 Ų119.281%0.80570%0.697SS**  trans-69.399.7-178.628.7-34000109.4S1710P1708-S1710 PolarHBondContact O-N 3.41Å
1709R30Very low38Very low235 Ų235120.2 Ų120.289%0.88771%0.709SS**  trans-71.884.5172.1-82.7-177.4165.7-175.5-8.9110.4E1707E1707-R1709 PolarHBondContact O-N 2.88Å
1710S36.1Very low36.8Very low108 Ų108125.3 Ų125.376%0.75572%0.723SS**  trans-51.5153.3154.550.40000110.8P1708P1708-S1710 PolarHBondContact O-N 3.41Å
1711A31.5Very low35.7Very low96 Ų96130.7 Ų130.779%0.79374%0.743SS**  trans-66.5168.7-177.400000113.5
1712S33.6Very low34.1Very low122 Ų122137.8 Ų137.885%0.85378%0.777SS**  trans83.3109.2167.7-161.50000118
1713G32.7Very low32.5Very low59 Ų59139.3 Ų139.361%0.60880%0.802SS**  88.3100.5108.200000118.6
1714S30.7Very low31.3Very low102 Ų102143.6 Ų143.671%0.71382%0.815SS**  trans55.4125.2133.960.80000121.3
1715D32.3Very low30.1Very low143 Ų143144.7 Ų144.777%0.76582%0.816SS**  trans83.3130.9131.6-63.7-11.5000121.9
1716T31.6Very low29.8Very low139 Ų139141.1 Ų141.185%0.85381%0.811SS**  trans59.6115.3157.158.70000116.4
1717G29.6Very low29.4Very low77 Ų77141 Ų14179%0.79481%0.807SS**  cis99.381.627.700000110.9
1718S30.6Very low29.3Very low118 Ų118138.7 Ų138.783%0.82580%0.804SS**  trans-163.1145.9141.7560000110.6
1719P28.9Very low29.1Very low123 Ų123137.3 Ų137.380%0.79979%0.794SS**  trans-112.7119.9-166.835.3-22.3000113.7
1720K29.1Very low28.9Very low205 Ų205133.3 Ų133.389%0.89180%0.795SS**  trans-135.6113.3163.8-68.8176.8177.7174.70106.8
1721K27Very low28.5Very low194 Ų194133.5 Ų133.584%0.84379%0.792SS**  63.9142.765.1-76.3-170.2171.8-179.60113.1
1722I26.2Very low28.3Very low180 Ų180137.3 Ų137.392%0.92379%0.793SS**  trans85.6116-165.9-51.4156.5000110.1
1723A28.3Very low28Very low97 Ų97136.1 Ų136.180%0.80278%0.784SS**  cis-131.8163.50.900000112.5
1724Q25.9Very low27.8Very low191 Ų191140 Ų14089%0.89379%0.791SS**  trans-98.6133.7176.1-59.7165.1-82.100109.9
1725E24.9Very low27.8Very low184 Ų184140.6 Ų140.686%0.8679%0.791SS**  trans-144.6151154.6-81-145.5162.500109.5
1726P24.6Very low27.8Very low101 Ų101140.4 Ų140.466%0.65679%0.789SS**  -103.5161.5-100.434.6-40000117.1V1728P1726-V1728 HydrophobicContact CG-CG2 4.12Å
1727K24.2Very low27.7Very low194 Ų194142.7 Ų142.784%0.84379%0.79SS**  trans-61.5129152.8-67.1173.5176.61760109.3V1729K1727-V1729 HydrophobicContact CB-CG2 4.37Å
1728V26.4Very low27.7Very low120 Ų120142.3 Ų142.373%0.72779%0.787SS**  trans-130.986.1164.8-174.90000106.3P1726P1726-V1728 HydrophobicContact CG-CG2 4.12Å
1729V27.3Very low27.7Very low96 Ų96143.2 Ų143.258%0.58279%0.787SS**  4288.277.5-163.30000111.2K1727 T1731K1727-V1729 HydrophobicContact CB-CG2 4.37Å; V1729-T1731 VanDerWaalsContact C-N 3.28Å; V1729-T1731 HydrophobicContact CG1-CG2 4.37Å; V1729-T1731 WeakPolarHBondContact CG1-OG1 3.4Å; V1729-T1731 PolarHBondContact O-N 3.24Å
1730V25.3Very low27.6Very low150 Ų150142.6 Ų142.691%0.90979%0.786SS**  trans-76.683.8168.8-178.30000108.1
1731T27.1Very low27.5Very low113 Ų113136.9 Ų136.969%0.69379%0.785SS**  trans-97.9158.8167.610.10000111.4V1729V1729-T1731 VanDerWaalsContact C-N 3.28Å; V1729-T1731 HydrophobicContact CG1-CG2 4.37Å; V1729-T1731 WeakPolarHBondContact CG1-OG1 3.4Å; V1729-T1731 PolarHBondContact O-N 3.24Å
1732Q27.1Very low27.6Very low176 Ų176131.3 Ų131.382%0.82278%0.783SS**  trans-90.5175.1-165.3-62.9160.6-93.100112.6
1733S28Very low27.6Very low96 Ų96130.7 Ų130.767%0.67178%0.776SS**  trans76.1119.6152.528.60000120.6
1734D29.3Very low27.6Very low140 Ų140134 Ų13475%0.74978%0.778SS**  94107.2123.6-57.4-6.8000123.2
1735T29.5Very low27.6Very low116 Ų116129 Ų12971%0.71276%0.761SS**  55.7142.6125.762.90000124.4
1736L32.5Very low28.1Very low139 Ų139126.5 Ų126.573%0.72875%0.752SS**  trans72.2108.8157.5-66.4152000115.4
1737E29.3Very low28.3Very low186 Ų186127.9 Ų127.987%0.86976%0.761SS**  72.512384.7-77.6-170.6179.300113.8
1738G30.7Very low28.6Very low70 Ų70123 Ų12372%0.72275%0.752SS**  trans126.397.3168.200000116.5
1739T29.4Very low28.8Very low136 Ų136124.8 Ų124.883%0.83476%0.757SS**  trans31.5123131.4-23.50000121.6
1740S28.3Very low28.9Very low111 Ų111124.8 Ų124.878%0.77676%0.759SS**  trans60.9133.1144.963.30000122.2
1741G26.9Very low29.1Very low84 Ų84125 Ų12587%0.86676%0.755SS**  trans96.4110.4151.900000115.2
1742G29.1Very low29.5Very low78 Ų78123.9 Ų123.980%0.80476%0.757SS**  trans177.138.6-178.600000113.2
1743E25Very low29.7Very low167 Ų167121.8 Ų121.878%0.7876%0.756SS**  trans-66.7138.1178.6-172.9-178.4-178.700111.1V1745E1743-V1745 HydrophobicContact CG-CG2 3.79Å
1744I28.9Very low29.9Very low165 Ų165122 Ų12285%0.84676%0.757SS**  trans-126.3125.4160.6-60.4-177.1000107.9
1745V26.7Very low30Very low88 Ų88122.2 Ų122.253%0.53376%0.759SS.*  trans-97.1138.7-159.7172.10000111.4E1743E1743-V1745 HydrophobicContact CG-CG2 3.79Å
1746I33.9Very low30.1Very low131 Ų131124.6 Ų124.667%0.67276%0.764SS**  trans5.4149.3139-17.1167.3000117.5S1748I1746-S1748 VanDerWaalsContact CG2-N 3.35Å
1747P29.7Very low30.2Very low129 Ų129127 Ų12784%0.83877%0.771SS**  -136.514187.121.6-1.4000115.6
1748S29.6Very low30.1Very low93 Ų93127 Ų12765%0.6577%0.772SS**  trans-66.7152156.148.80000111.2I1746I1746-S1748 VanDerWaalsContact CG2-N 3.35Å
1749D30.7Very low30.3Very low156 Ų156132 Ų13283%0.83478%0.781SS**  trans-165.4164131.9-111.70.6000111.4
1750P30.5Very low30.4Very low97 Ų97133 Ų13363%0.6378%0.781SS**  trans-122.4-164.5-138.728-4.4000112.9
1751N28.4Very low30.5Very low153 Ų153134 Ų13482%0.81879%0.787SS**  trans119.5141.7163.7-61.3-47.1000115.2
1752A36.6Very low30.8Very low91 Ų91138.8 Ų138.875%0.75279%0.786SS**  trans60.492171.800000115.9
1753V31.4Very low31.4Very low132 Ų132140.4 Ų140.480%0.878%0.783SS**  cis70.2139.334.6-170.80000114.3
1754S31.1Very low32.2Very low99 Ų99138.5 Ų138.569%0.69279%0.785SS**  trans80.913317372.30000116.8
1755N31.4Very low32.6Very low145 Ų145137.9 Ų137.978%0.77578%0.781SS**  cis-159.3166.31.2-99.9-11.9000112.3
1756M31.7Very low33.4Very low167 Ų167139.1 Ų139.182%0.82379%0.791SS**  trans98.899.6158.7-71.9175.6-68.400121.6
1757E35.1Very low34Very low188 Ų188139.7 Ų139.788%0.87979%0.791SS**  trans90.2128.7136.6-61.7-175.7163.300120.7
1758E28Very low35Very low188 Ų188142.7 Ų142.788%0.87979%0.791SS**  trans-119.1152.2-153.8-58.4167.5134.900112.4
1759L34.8Very low35.8Very low174 Ų174148 Ų14891%0.91181%0.806SS**  trans-154.8136.3144.9-141.488000109.9
1760D30.8Very low37.1Very low157 Ų157144.1 Ų144.184%0.8479%0.79SS**  trans-64.8135.8-162.4-58.2-70.7000116.5
1761C29.7Very low39.1Very low133 Ų133141.5 Ų141.590%0.89978%0.781SS**  trans-161.3143.4144.3-97.20000110.6
1762E33.2Very low41.4Very low183 Ų183139.9 Ų139.986%0.85578%0.779SS**PPolyproline II helixtrans-63.1154.5-164-68.9175.611300116.5
1763P42.2Very low43.3Very low112 Ų112141.6 Ų141.673%0.72777%0.774SS**PPolyproline II helixtrans-64146.517128.1-35.6000112.1I1765P1763-I1765 PolarHBondContact O-N 3.14Å
1764P42.3Very low45.5Very low127 Ų127136.4 Ų136.483%0.82575%0.747SS**PPolyproline II helixtrans-67119.2-178.527.2-34000111.4
1765I36.5Very low47.6Very low152 Ų152139.2 Ų139.278%0.77974%0.743SS**PPolyproline II helixtrans-54.9133.2171.8-58.5166.1000108.7P1763 E1767P1763-I1765 PolarHBondContact O-N 3.14Å; I1765-E1767 PolarHBondContact O-N 3.49Å
1766P45Very low49.8Very low114 Ų114135 Ų13574%0.7472%0.718SS**PPolyproline II helixtrans-55.7129.8179.421.3-33.1000111.2K1768P1766-K1768 PolarHBondContact O-N 3.19Å
1767E46.3Very low52.1Low144 Ų144130.1 Ų130.167%0.67369%0.694SS**  trans-55.2100.1-177.2-78.9-165.2150.100110.8I1765 Q1769 H1778I1765-E1767 PolarHBondContact O-N 3.49Å; E1767-Q1769 PolarHBondContact O-N 3.39Å; E1767-H1778 IonicContact OE1-CE1 2.79Å; E1767-H1778 PolarHBondContact OE1-CE1 2.96Å; E1767-H1778 IonicContact OE1-ND1 3.87Å; E1767-H1778 PolarHBondContact OE1-ND1 3.1Å
1768K49.2Very low54.3Low192 Ų192125.4 Ų125.484%0.83567%0.672SS**  trans-55.8130173.9-156173.7-168.6174.10108.2P1766 S1770P1766-K1768 PolarHBondContact O-N 3.19Å; K1768-S1770 VanDerWaalsContact C-N 3.35Å; K1768-S1770 PolarHBondContact O-N 2.89Å
1769Q47.8Very low56.6Low205 Ų205121.6 Ų121.696%0.95865%0.654SS**  trans-49.394.3-174.9-76.7-176.9-11.200112E1767E1767-Q1769 PolarHBondContact O-N 3.39Å
1770S56.8Low58.7Low73 Ų73113.9 Ų113.951%0.5161%0.614SS.*  trans-91.9130.4-174.5-166.20000108.3K1768 G1774K1768-S1770 VanDerWaalsContact C-N 3.35Å; K1768-S1770 PolarHBondContact O-N 2.89Å; S1770-G1774 VanDerWaalsContact OG-CA 3.3Å; S1770-G1774 WeakPolarHBondContact OG-CA 3.33Å
1771G74.1Confident60.8Low42 Ų42109.5 Ų109.543%0.43359%0.587SS.*  trans-57164.9178.300000111.9I1773 G1774 R1775G1771-I1773 PolarHBondContact O-N 3.25Å; G1771-G1774 WeakPolarHBondContact O-CA 3.47Å; G1771-G1774 PolarHBondContact O-N 3.37Å; G1771-R1775 PolarHBondContact O-N 3.02Å
1772P76Confident62.8Low119 Ų119109.6 Ų109.677%0.77358%0.575SS**Hα-helixtrans-54.1-32.7-175.820.9-33.1000113.2F1776P1772-F1776 WeakPolarHBondContact O-CB 3.33Å; P1772-F1776 PolarHBondContact O-N 3.13Å
1773I75.5Confident64.6Low127 Ų127102.1 Ų102.165%0.65154%0.542SS*.Hα-helixtrans-66-46.6173.6-61.2169000111.6G1771 F1776 I1777G1771-I1773 PolarHBondContact O-N 3.25Å; I1773-F1776 WeakPolarHBondContact O-CB 3.42Å; I1773-F1776 PolarHBondContact O-N 2.86Å; I1773-I1777 HydrophobicContact CG2-CD1 3.89Å; I1773-I1777 VanDerWaalsContact O-CG1 3.31Å; I1773-I1777 WeakPolarHBondContact O-CG1 3.43Å; I1773-I1777 PolarHBondContact O-N 3.2Å
1774G77.8Confident65.4Low23 Ų23102.7 Ų102.724%0.23753%0.533CS..Hα-helixtrans-69.1-34.5179.200000112.6S1770 G1771 I1777 H1778S1770-G1774 VanDerWaalsContact OG-CA 3.3Å; S1770-G1774 WeakPolarHBondContact OG-CA 3.33Å; G1771-G1774 WeakPolarHBondContact O-CA 3.47Å; G1771-G1774 PolarHBondContact O-N 3.37Å; G1774-I1777 PolarHBondContact O-N 3.4Å; G1774-H1778 WeakPolarHBondContact O-CB 3.35Å; G1774-H1778 PolarHBondContact O-N 3.3Å
1775R76.5Confident66.5Low158 Ų15898.4 Ų98.460%0.59650%0.501SS*.Hα-helixtrans-64.7-40.8170.2-161.3178.9-154.6173.88.6112G1771 H1778 Q1779G1771-R1775 PolarHBondContact O-N 3.02Å; R1775-H1778 PolarHBondContact O-N 2.95Å; R1775-Q1779 WeakPolarHBondContact O-CB 3.2Å; R1775-Q1779 VanDerWaalsContact O-CG 3.28Å; R1775-Q1779 WeakPolarHBondContact O-CG 3.42Å; R1775-Q1779 PolarHBondContact O-N 3.09Å
1776F77.5Confident68Low56 Ų5696 Ų9625%0.24648%0.483CS..Hα-helixtrans-63.5-42.9173.8175.5-101.5000112.1L1607 P1772 I1773 Q1779 L1780L1607-F1776 HydrophobicContact CB-CE1 4.41Å; L1607-F1776 HydrophobicContact CB-CZ 3.92Å; P1772-F1776 WeakPolarHBondContact O-CB 3.33Å; P1772-F1776 PolarHBondContact O-N 3.13Å; I1773-F1776 WeakPolarHBondContact O-CB 3.42Å; I1773-F1776 PolarHBondContact O-N 2.86Å; F1776-Q1779 PolarHBondContact O-N 3.03Å; F1776-L1780 WeakPolarHBondContact O-CB 3.33Å; F1776-L1780 PolarHBondContact O-N 2.87Å
1777I79.7Confident69.1Low65 Ų6594.2 Ų94.233%0.33346%0.461SS..Hα-helixtrans-65.1-40.1176-69.2168000111.2I1773 G1774 L1780 F1781I1773-I1777 HydrophobicContact CG2-CD1 3.89Å; I1773-I1777 VanDerWaalsContact O-CG1 3.31Å; I1773-I1777 WeakPolarHBondContact O-CG1 3.43Å; I1773-I1777 PolarHBondContact O-N 3.2Å; G1774-I1777 PolarHBondContact O-N 3.4Å; I1777-L1780 WeakPolarHBondContact O-CB 3.36Å; I1777-L1780 PolarHBondContact O-N 2.94Å; I1777-F1781 HydrophobicContact CG2-CD2 3.72Å; I1777-F1781 HydrophobicContact CG2-CE2 3.32Å; I1777-F1781 HydrophobicContact CG2-CZ 4.14Å; I1777-F1781 WeakPolarHBondContact O-CD2 3.33Å; I1777-F1781 PolarHBondContact O-N 3.41Å
1778H80.2Confident70.1Confident89 Ų8988.8 Ų88.841%0.41244%0.437SS..Hα-helixtrans-62.5-45.4174.5-169.4-128.5000111.6E1767 G1774 R1775 L1780 F1781 H1782E1767-H1778 IonicContact OE1-CE1 2.79Å; E1767-H1778 PolarHBondContact OE1-CE1 2.96Å; E1767-H1778 IonicContact OE1-ND1 3.87Å; E1767-H1778 PolarHBondContact OE1-ND1 3.1Å; G1774-H1778 WeakPolarHBondContact O-CB 3.35Å; G1774-H1778 PolarHBondContact O-N 3.3Å; R1775-H1778 PolarHBondContact O-N 2.95Å; H1778-L1780 VanDerWaalsContact C-N 3.28Å; H1778-L1780 PolarHBondContact O-N 3.3Å; H1778-F1781 PolarHBondContact O-N 2.9Å; H1778-H1782 AromaticContact CD2-CD2 3.7Å; H1778-H1782 AromaticContact NE2-CD2 3.69Å; H1778-H1782 PolarHBondContact O-N 3.35Å
1779Q76.8Confident71Confident109 Ų10983.5 Ų83.551%0.50941%0.411SS..Hα-helixtrans-64.8-28.1174.6-72.5173.8-9.100113.5R1775 F1776R1775-Q1779 WeakPolarHBondContact O-CB 3.2Å; R1775-Q1779 VanDerWaalsContact O-CG 3.28Å; R1775-Q1779 WeakPolarHBondContact O-CG 3.42Å; R1775-Q1779 PolarHBondContact O-N 3.09Å; F1776-Q1779 PolarHBondContact O-N 3.03Å
1780L78.3Confident72.3Confident11 Ų1175.8 Ų75.86%0.05838%0.377CS..Hα-helixtrans-72-41.8175.1177.863.6000111.9L1607 F1776 I1777 H1778 L1861 I1911L1607-L1780 HydrophobicContact CD2-CD1 4.36Å; L1607-L1780 HydrophobicContact CD2-CD2 4.46Å; L1607-L1780 WeakPolarHBondContact O-CD1 3.28Å; F1776-L1780 WeakPolarHBondContact O-CB 3.33Å; F1776-L1780 PolarHBondContact O-N 2.87Å; I1777-L1780 WeakPolarHBondContact O-CB 3.36Å; I1777-L1780 PolarHBondContact O-N 2.94Å; H1778-L1780 VanDerWaalsContact C-N 3.28Å; H1778-L1780 PolarHBondContact O-N 3.3Å; L1780-L1861 HydrophobicContact CD2-CD1 4.46Å; L1780-L1861 HydrophobicContact CD2-CD2 4.22Å; L1780-I1911 HydrophobicContact CD1-CG2 4.28Å; L1780-I1911 HydrophobicContact CD2-CG2 4.26Å; L1780-I1911 HydrophobicContact CG-CG2 4.45Å
1781F76.4Confident73.4Confident65 Ų6572.3 Ų72.329%0.28535%0.352SS..Hα-helixtrans-80.8-31.7179.3-64.3-42.3000113.4I1777 H1778 P1783 V1857 V1858 L1861I1777-F1781 HydrophobicContact CG2-CD2 3.72Å; I1777-F1781 HydrophobicContact CG2-CE2 3.32Å; I1777-F1781 HydrophobicContact CG2-CZ 4.14Å; I1777-F1781 WeakPolarHBondContact O-CD2 3.33Å; I1777-F1781 PolarHBondContact O-N 3.41Å; H1778-F1781 PolarHBondContact O-N 2.9Å; F1781-P1783 VanDerWaalsContact C-CD 3.46Å; F1781-P1783 WeakPolarHBondContact O-CD 3.16Å; F1781-V1857 HydrophobicContact CD1-CG1 4.45Å; F1781-V1857 HydrophobicContact CE1-CG1 4.3Å; F1781-V1858 HydrophobicContact CE1-CG2 4.2Å; F1781-V1858 HydrophobicContact CZ-CG2 3.99Å; F1781-L1861 HydrophobicContact CE1-CD2 4.24Å; F1781-L1861 HydrophobicContact CZ-CD2 3.88Å
1782H70.5Confident73.9Confident136 Ų13670.9 Ų70.963%0.6333%0.334SS*.SBendtrans-12567.6-179.8-57.6-68.7000112.5H1778H1778-H1782 AromaticContact CD2-CD2 3.7Å; H1778-H1782 AromaticContact NE2-CD2 3.69Å; H1778-H1782 PolarHBondContact O-N 3.35Å
1783P71.4Confident74Confident26 Ų2667.3 Ų67.317%0.16931%0.311CS..  trans-74.3142.2178.730.9-35.6000112.5N1609 F1781 F1785 R1786N1609-P1783 HydrophobicContact CB-CB 4.5Å; N1609-P1783 WeakPolarHBondContact ND2-CB 3.33Å; F1781-P1783 VanDerWaalsContact C-CD 3.46Å; F1781-P1783 WeakPolarHBondContact O-CD 3.16Å; P1783-F1785 PolarHBondContact O-N 3.44Å; P1783-R1786 HydrophobicContact CG-CB 4.25Å; P1783-R1786 HydrophobicContact CG-CG 4.41Å
1784K59.8Low74.3Confident124 Ų12465 Ų6554%0.53930%0.299SS..SBendtrans-59.3-32176-173178.5175.3-175.40112.6L1698 D1700L1698-K1784 PolarHBondContact O-NZ 2.91Å; D1700-K1784 IonicContact OD1-NZ 3.96Å; D1700-K1784 PolarHBondContact OD1-NZ 3.42Å
1785F65Low74.9Confident36 Ų3663.9 Ų63.916%0.15829%0.288CS..SBendtrans-121.8117.2173.1-54.3-80.7000109.5E1308 M1311 N1609 L1698 P1783E1308-F1785 HydrophobicContact CG-CE1 4.36Å; M1311-F1785 HydrophobicContact SD-CB 4Å; M1311-F1785 HydrophobicContact SD-CD1 3.69Å; M1311-F1785 HydrophobicContact SD-CG 4.31Å; N1609-F1785 PolarHBondContact ND2-O 3.39Å; L1698-F1785 HydrophobicContact CD2-CE2 4.22Å; P1783-F1785 PolarHBondContact O-N 3.44Å
1786R67.7Low75.3Confident103 Ų10359.2 Ų59.239%0.38927%0.272SS..  trans-111.7115177.8-166.1-176.4-165.7175.113.3109.6P1783 I1788 N1913P1783-R1786 HydrophobicContact CG-CB 4.25Å; P1783-R1786 HydrophobicContact CG-CG 4.41Å; R1786-I1788 HydrophobicContact CG-CG1 4.38Å; R1786-N1913 VanDerWaalsContact CG-O 3.31Å; R1786-N1913 WeakPolarHBondContact CG-O 3.5Å; R1786-N1913 PolarHBondContact NE-O 2.75Å
1787Y67Low75.7Confident75 Ų7558 Ų5829%0.29428%0.275SS..  trans-92.6124.2172.8-172.5-82.5000108.6Q1314 R1789 N1913Q1314-Y1787 VanDerWaalsContact NE2-CZ 3.28Å; Y1787-R1789 HydrophobicContact CD1-CB 4.21Å; Y1787-R1789 HydrophobicContact CE1-CB 4.06Å; Y1787-N1913 VanDerWaalsContact O-CA 3.32Å; Y1787-N1913 WeakPolarHBondContact O-CA 3.4Å; Y1787-N1913 WeakPolarHBondContact O-CB 3.5Å
1788I67.4Low76.2Confident30 Ų3056 Ų5615%0.15427%0.265CS..  trans-100.8123.6-171.7-60175.7000109.6R1786 P1916R1786-I1788 HydrophobicContact CG-CG1 4.38Å; I1788-P1916 HydrophobicContact CG2-CB 4.16Å
1789R69.4Low76.7Confident81 Ų8151.9 Ų51.931%0.30625%0.245SC..  trans-154.2139.4-178.2-171.3170.6179.8153-2110.7V1383 Y1787 L1791 Q1910V1383-R1789 HydrophobicContact CG2-CG 4.23Å; Y1787-R1789 HydrophobicContact CD1-CB 4.21Å; Y1787-R1789 HydrophobicContact CE1-CB 4.06Å; R1789-L1791 HydrophobicContact CG-CD2 4.08Å; R1789-L1791 HydrophobicContact CG-CG 4.21Å; R1789-Q1910 PolarHBondContact O-NE2 3.14Å; R1789-Q1910 VanDerWaalsContact O-NE2 3.07Å; R1789-Q1910 PolarHBondContact O-OE1 2.88Å; R1789-Q1910 VanDerWaalsContact O-OE1 3.13Å
1790D73.5Confident77.1Confident43 Ų4348.8 Ų48.823%0.2323%0.234CC..  trans-96.2123.3167.6-165.4-9.7000110.4Y1792 Y1852 P1916D1790-Y1792 VanDerWaalsContact OD1-CB 3.27Å; D1790-Y1792 WeakPolarHBondContact OD1-CB 3.38Å; D1790-Y1792 PolarHBondContact OD1-N 2.81Å; D1790-Y1852 WeakPolarHBondContact OD2-CE2 3.26Å; D1790-Y1852 PolarHBondContact OD2-OH 3.19Å; D1790-P1916 HydrophobicContact CB-CG 4.23Å
1791L80.9Confident77.6Confident0 Ų052.2 Ų52.20%025%0.252CS..  trans-116.51.1176.7-57.8164.1000112R1789 I1794 M1795 V1906 W1909 Q1910R1789-L1791 HydrophobicContact CG-CD2 4.08Å; R1789-L1791 HydrophobicContact CG-CG 4.21Å; L1791-I1794 HydrophobicContact CD2-CD1 4.03Å; L1791-I1794 WeakPolarHBondContact O-CA 3.33Å; L1791-I1794 WeakPolarHBondContact O-CB 3.25Å; L1791-I1794 PolarHBondContact O-N 3.25Å; L1791-M1795 PolarHBondContact O-N 3.38Å; L1791-V1906 HydrophobicContact CB-CG1 3.75Å; L1791-V1906 HydrophobicContact CD1-CG1 4.23Å; L1791-V1906 HydrophobicContact CG-CG1 4.44Å; L1791-W1909 HydrophobicContact CD1-CB 3.91Å; L1791-W1909 HydrophobicContact CD1-CD2 3.51Å; L1791-W1909 HydrophobicContact CD1-CE3 3.51Å; L1791-W1909 HydrophobicContact CD1-CG 3.69Å; L1791-W1909 HydrophobicContact CD1-CZ3 4.24Å; L1791-W1909 HydrophobicContact CD2-CE3 3.93Å; L1791-W1909 HydrophobicContact CD2-CH2 4.3Å; L1791-W1909 HydrophobicContact CD2-CZ3 3.81Å; L1791-W1909 HydrophobicContact CG-CE3 4.4Å; L1791-Q1910 HydrophobicContact CB-CB 4.48Å; L1791-Q1910 HydrophobicContact CD1-CB 4.26Å
1792Y84.4Confident78.2Confident12 Ų1249.2 Ų49.25%0.04724%0.238CC..Hα-helixtrans-56.2-41.6-176.9-179.6-90.5000113.9D1790 I1794 M1795 F1796 R1849 Y1852D1790-Y1792 VanDerWaalsContact OD1-CB 3.27Å; D1790-Y1792 WeakPolarHBondContact OD1-CB 3.38Å; D1790-Y1792 PolarHBondContact OD1-N 2.81Å; Y1792-I1794 PolarHBondContact O-N 3.06Å; Y1792-M1795 WeakPolarHBondContact O-CB 3.35Å; Y1792-M1795 PolarHBondContact O-N 3.21Å; Y1792-M1795 VanDerWaalsContact O-N 3.11Å; Y1792-F1796 HydrophobicContact CE1-CB 4.17Å; Y1792-F1796 PolarHBondContact O-N 2.9Å; Y1792-R1849 WeakPolarHBondContact OH-CA 3.48Å; Y1792-R1849 WeakPolarHBondContact OH-CB 3.33Å; Y1792-R1849 WeakPolarHBondContact OH-CD 3.44Å; Y1792-Y1852 VanDerWaalsContact CB-CD2 3.4Å; Y1792-Y1852 AromaticContact CD1-CD1 4Å; Y1792-Y1852 HydrophobicContact CD1-CD1 4Å; Y1792-Y1852 HydrophobicContact CD1-CD2 4.2Å; Y1792-Y1852 HydrophobicContact CD1-CE1 4.05Å; Y1792-Y1852 HydrophobicContact CD1-CE2 4.24Å; Y1792-Y1852 HydrophobicContact CD1-CG 4.05Å; Y1792-Y1852 HydrophobicContact CD2-CD1 4.26Å; Y1792-Y1852 AromaticContact CD2-CD2 3.62Å; Y1792-Y1852 HydrophobicContact CD2-CD2 3.62Å; Y1792-Y1852 HydrophobicContact CD2-CE2 4.35Å; Y1792-Y1852 AromaticContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CE1-CD1 4.31Å; Y1792-Y1852 HydrophobicContact CE2-CG 4.01Å; Y1792-Y1852 HydrophobicContact CG-CD1 4.01Å; Y1792-Y1852 AromaticContact CG-CD2 3.43Å; Y1792-Y1852 HydrophobicContact CG-CD2 3.43Å; Y1792-Y1852 VanDerWaalsContact CG-CD2 3.43Å; Y1792-Y1852 HydrophobicContact CG-CE1 4.25Å; Y1792-Y1852 AromaticContact CG-CE2 3.7Å; Y1792-Y1852 HydrophobicContact CG-CE2 3.7Å; Y1792-Y1852 AromaticContact CG-CG 3.58Å; Y1792-Y1852 HydrophobicContact CG-CG 3.58Å
1793P77.7Confident79Confident45 Ų4545.7 Ų45.729%0.29222%0.221SC..Hα-helixtrans-59.6-32.9175.3-25.936.1000113.6G1797 L1923P1793-G1797 PolarHBondContact O-N 3.44Å; P1793-L1923 HydrophobicContact CB-CB 3.9Å; P1793-L1923 HydrophobicContact CB-CD2 3.69Å; P1793-L1923 HydrophobicContact CB-CG 4.37Å; P1793-L1923 HydrophobicContact CG-CB 4.03Å; P1793-L1923 HydrophobicContact CG-CD2 4.41Å
1794I83.4Confident79.7Confident78 Ų7848.1 Ų48.140%0.423%0.233SC..Hα-helixtrans-72-43.2176.2-57.9176000109.6L1791 Y1792 G1797 I1798 V1906L1791-I1794 HydrophobicContact CD2-CD1 4.03Å; L1791-I1794 WeakPolarHBondContact O-CA 3.33Å; L1791-I1794 WeakPolarHBondContact O-CB 3.25Å; L1791-I1794 PolarHBondContact O-N 3.25Å; Y1792-I1794 PolarHBondContact O-N 3.06Å; I1794-G1797 PolarHBondContact O-N 2.79Å; I1794-I1798 HydrophobicContact CG2-CD1 3.96Å; I1794-I1798 VanDerWaalsContact O-CG1 3.28Å; I1794-I1798 WeakPolarHBondContact O-CG1 3.46Å; I1794-I1798 PolarHBondContact O-N 2.87Å; I1794-V1906 HydrophobicContact CB-CG1 4.41Å; I1794-V1906 HydrophobicContact CG2-CG1 4.22Å; I1794-V1906 HydrophobicContact CG2-CG2 4.37Å
1795M88.4Confident81Confident0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-59.5-48.2176.5-66.1166.852.400111.8L1791 Y1792 G1797 I1798 D1799 K1860 Y1903 V1906 Q1910L1791-M1795 PolarHBondContact O-N 3.38Å; Y1792-M1795 WeakPolarHBondContact O-CB 3.35Å; Y1792-M1795 PolarHBondContact O-N 3.21Å; Y1792-M1795 VanDerWaalsContact O-N 3.11Å; M1795-G1797 PolarHBondContact O-N 3.22Å; M1795-I1798 PolarHBondContact O-N 3.11Å; M1795-D1799 PolarHBondContact O-N 2.94Å; M1795-K1860 VanDerWaalsContact CE-NZ 3.31Å; M1795-Y1903 HydrophobicContact CB-CD2 4.1Å; M1795-Y1903 HydrophobicContact CB-CE2 3.88Å; M1795-Y1903 HydrophobicContact CE-CE2 4.17Å; M1795-Y1903 HydrophobicContact CG-CE2 4.48Å; M1795-V1906 HydrophobicContact CG-CB 4.25Å; M1795-V1906 HydrophobicContact CG-CG1 3.62Å; M1795-V1906 HydrophobicContact SD-CG1 4.44Å; M1795-Q1910 HydrophobicContact SD-CB 4.07Å; M1795-Q1910 HydrophobicContact SD-CG 4.3Å
1796F86.8Confident81.9Confident60 Ų6042.3 Ų42.326%0.26321%0.209SC..Hα-helixtrans-61.1-43.1175.3178-103.2000112.1Y1792 I1798 D1799 V1800 I1845Y1792-F1796 HydrophobicContact CE1-CB 4.17Å; Y1792-F1796 PolarHBondContact O-N 2.9Å; F1796-I1798 VanDerWaalsContact C-N 3.32Å; F1796-I1798 PolarHBondContact O-N 2.75Å; F1796-D1799 PolarHBondContact O-N 3.07Å; F1796-V1800 HydrophobicContact CD1-CG2 4.22Å; F1796-V1800 HydrophobicContact CE1-CG2 3.76Å; F1796-V1800 HydrophobicContact CE2-CG2 4.09Å; F1796-V1800 HydrophobicContact CZ-CG2 3.68Å; F1796-V1800 WeakPolarHBondContact O-CG2 3.36Å; F1796-V1800 PolarHBondContact O-N 2.85Å; F1796-I1845 HydrophobicContact CD2-CG2 4.12Å; F1796-I1845 HydrophobicContact CE2-CG2 3.88Å
1797G84.4Confident82.4Confident29 Ų2940.3 Ų40.330%0.29921%0.208SC..Hα-helixtrans-59.1-40.6175.500000113.1P1793 I1794 M1795 V1800 I1801P1793-G1797 PolarHBondContact O-N 3.44Å; I1794-G1797 PolarHBondContact O-N 2.79Å; M1795-G1797 PolarHBondContact O-N 3.22Å; G1797-V1800 PolarHBondContact O-N 3.39Å; G1797-I1801 VanDerWaalsContact O-CG1 3.31Å; G1797-I1801 WeakPolarHBondContact O-CG1 3.28Å; G1797-I1801 PolarHBondContact O-N 3.45Å; G1797-I1801 VanDerWaalsContact O-N 3.1Å
1798I91.3Very high83.1Confident25 Ų2544.5 Ų44.513%0.12823%0.228CC..Hα-helixtrans-66.7-38176-64.6165.3000111.3I1794 M1795 F1796 I1801 C1802 I1899 V1906I1794-I1798 HydrophobicContact CG2-CD1 3.96Å; I1794-I1798 VanDerWaalsContact O-CG1 3.28Å; I1794-I1798 WeakPolarHBondContact O-CG1 3.46Å; I1794-I1798 PolarHBondContact O-N 2.87Å; M1795-I1798 PolarHBondContact O-N 3.11Å; F1796-I1798 VanDerWaalsContact C-N 3.32Å; F1796-I1798 PolarHBondContact O-N 2.75Å; I1798-I1801 WeakPolarHBondContact O-CB 3.48Å; I1798-I1801 PolarHBondContact O-N 2.83Å; I1798-C1802 PolarHBondContact O-N 3.33Å; I1798-C1802 PolarHBondContact O-SG 3.26Å; I1798-I1899 HydrophobicContact CG2-CG2 3.59Å; I1798-I1899 VanDerWaalsContact CG2-O 3.26Å; I1798-I1899 WeakPolarHBondContact CG2-O 3.49Å; I1798-V1906 HydrophobicContact CD1-CG2 4.01Å
1799D89.9Confident83.4Confident1 Ų143.5 Ų43.51%0.00523%0.225CC..Hα-helixtrans-72.2-33.4177.5-87-9.7000113.6M1795 F1796 I1801 C1802 F1803 M1841 I1845 K1900 Y1903M1795-D1799 PolarHBondContact O-N 2.94Å; F1796-D1799 PolarHBondContact O-N 3.07Å; D1799-I1801 VanDerWaalsContact C-N 3.31Å; D1799-C1802 WeakPolarHBondContact O-CB 3.25Å; D1799-C1802 PolarHBondContact O-N 2.93Å; D1799-F1803 PolarHBondContact O-N 2.95Å; D1799-M1841 HydrophobicContact CB-CE 4.49Å; D1799-I1845 HydrophobicContact CB-CD1 4.16Å; D1799-I1845 HydrophobicContact CB-CG1 3.89Å; D1799-K1900 WeakPolarHBondContact OD1-CD 3.45Å; D1799-K1900 IonicContact OD1-NZ 2.76Å; D1799-K1900 PolarHBondContact OD1-NZ 3.35Å; D1799-K1900 IonicContact OD2-NZ 3.8Å; D1799-K1900 PolarHBondContact OD2-NZ 2.87Å; D1799-Y1903 WeakPolarHBondContact OD2-CE2 3.49Å
1800V85.2Confident83.7Confident45 Ų4541.1 Ų41.127%0.27322%0.216SC..Hα-helixtrans-63.2-38.7168.4172.80000111F1796 G1797 F1803 L1804F1796-V1800 HydrophobicContact CD1-CG2 4.22Å; F1796-V1800 HydrophobicContact CE1-CG2 3.76Å; F1796-V1800 HydrophobicContact CE2-CG2 4.09Å; F1796-V1800 HydrophobicContact CZ-CG2 3.68Å; F1796-V1800 WeakPolarHBondContact O-CG2 3.36Å; F1796-V1800 PolarHBondContact O-N 2.85Å; G1797-V1800 PolarHBondContact O-N 3.39Å; V1800-F1803 WeakPolarHBondContact O-CB 3.49Å; V1800-F1803 PolarHBondContact O-N 3.01Å; V1800-L1804 HydrophobicContact CG1-CD1 4.38Å; V1800-L1804 WeakPolarHBondContact O-CG 3.48Å; V1800-L1804 PolarHBondContact O-N 2.92Å
1801I88.6Confident83.6Confident83 Ų8340.7 Ų40.743%0.42622%0.217SC..Hα-helixtrans-64.5-41.6173.4-66.8164.3000110.9G1797 I1798 D1799 F1803 L1804 I1805 I1899G1797-I1801 VanDerWaalsContact O-CG1 3.31Å; G1797-I1801 WeakPolarHBondContact O-CG1 3.28Å; G1797-I1801 PolarHBondContact O-N 3.45Å; G1797-I1801 VanDerWaalsContact O-N 3.1Å; I1798-I1801 WeakPolarHBondContact O-CB 3.48Å; I1798-I1801 PolarHBondContact O-N 2.83Å; D1799-I1801 VanDerWaalsContact C-N 3.31Å; I1801-F1803 VanDerWaalsContact C-N 3.33Å; I1801-F1803 PolarHBondContact O-N 3.41Å; I1801-L1804 PolarHBondContact O-N 2.93Å; I1801-I1805 HydrophobicContact CG2-CD1 3.85Å; I1801-I1805 HydrophobicContact CG2-CG1 4.47Å; I1801-I1805 WeakPolarHBondContact O-CG1 3.42Å; I1801-I1805 PolarHBondContact O-N 3.48Å; I1801-I1899 HydrophobicContact CG2-CD1 4.12Å; I1801-I1899 HydrophobicContact CG2-CG2 4.09Å
1802C89.6Confident83.3Confident1 Ų141.3 Ų41.31%0.00722%0.222CC..Hα-helixtrans-60-42.7173.8-65.20000111.9I1798 D1799 I1805 M1806 M1841I1798-C1802 PolarHBondContact O-N 3.33Å; I1798-C1802 PolarHBondContact O-SG 3.26Å; D1799-C1802 WeakPolarHBondContact O-CB 3.25Å; D1799-C1802 PolarHBondContact O-N 2.93Å; C1802-I1805 PolarHBondContact O-N 3.08Å; C1802-M1806 WeakPolarHBondContact O-CG 3.39Å; C1802-M1806 PolarHBondContact O-N 3.37Å; C1802-M1806 VanDerWaalsContact O-N 3.1Å; C1802-M1841 HydrophobicContact CB-CE 3.72Å
1803F87.6Confident82.9Confident62 Ų6240.8 Ų40.827%0.27222%0.22SC..Hα-helixtrans-60.5-45.2176.2-175.3-88.8000112.3D1799 V1800 I1801 M1806 T1807 L1838 T1842D1799-F1803 PolarHBondContact O-N 2.95Å; V1800-F1803 WeakPolarHBondContact O-CB 3.49Å; V1800-F1803 PolarHBondContact O-N 3.01Å; I1801-F1803 VanDerWaalsContact C-N 3.33Å; I1801-F1803 PolarHBondContact O-N 3.41Å; F1803-M1806 HydrophobicContact CD2-CE 4.44Å; F1803-M1806 PolarHBondContact O-N 3.24Å; F1803-T1807 WeakPolarHBondContact O-CB 3.16Å; F1803-T1807 PolarHBondContact O-N 3.17Å; F1803-T1807 VanDerWaalsContact O-N 3.09Å; F1803-T1807 PolarHBondContact O-OG1 3.49Å; F1803-L1838 HydrophobicContact CE2-CD1 4.34Å; F1803-L1838 HydrophobicContact CE2-CD2 3.71Å; F1803-L1838 HydrophobicContact CE2-CG 3.74Å; F1803-L1838 HydrophobicContact CZ-CD1 4.36Å; F1803-L1838 HydrophobicContact CZ-CD2 4.14Å; F1803-L1838 HydrophobicContact CZ-CG 4.23Å; F1803-T1842 HydrophobicContact CD2-CG2 4.31Å; F1803-T1842 HydrophobicContact CE2-CG2 3.75Å
1804L85.8Confident82.5Confident77 Ų7739.1 Ų39.140%0.40321%0.211SC..Hα-helixtrans-64.5-40176.4-70.3172.8000112.3V1800 I1801 T1807 F1808V1800-L1804 HydrophobicContact CG1-CD1 4.38Å; V1800-L1804 WeakPolarHBondContact O-CG 3.48Å; V1800-L1804 PolarHBondContact O-N 2.92Å; I1801-L1804 PolarHBondContact O-N 2.93Å; L1804-T1807 PolarHBondContact O-N 3.37Å; L1804-F1808 HydrophobicContact CB-CD2 4.31Å; L1804-F1808 HydrophobicContact CB-CE2 4.18Å; L1804-F1808 HydrophobicContact CD2-CE2 4.17Å; L1804-F1808 WeakPolarHBondContact O-CD2 3.46Å; L1804-F1808 PolarHBondContact O-N 3.1Å
1805I86.8Confident81.5Confident37 Ų3743.6 Ų43.619%0.1923%0.23CC..Hα-helixtrans-64.2-41.7178.5-73.2170.4000111.8I1801 C1802 T1807 G1809 V1892 A1895 I1899I1801-I1805 HydrophobicContact CG2-CD1 3.85Å; I1801-I1805 HydrophobicContact CG2-CG1 4.47Å; I1801-I1805 WeakPolarHBondContact O-CG1 3.42Å; I1801-I1805 PolarHBondContact O-N 3.48Å; C1802-I1805 PolarHBondContact O-N 3.08Å; I1805-T1807 VanDerWaalsContact C-N 3.35Å; I1805-G1809 WeakPolarHBondContact O-CA 3.46Å; I1805-G1809 PolarHBondContact O-N 2.91Å; I1805-V1892 HydrophobicContact CG2-CG1 4.04Å; I1805-A1895 HydrophobicContact CG2-CB 4.46Å; I1805-I1899 HydrophobicContact CD1-CD1 3.26Å
1806M83.4Confident80Confident1 Ų145.4 Ų45.41%0.00525%0.249CC..Hα-helixtrans-63.3-42.9173.5-66.5-177.3-59.900111.8C1802 F1803 G1809 Y1810 F1813 L1834 M1837 M1841 L1896C1802-M1806 WeakPolarHBondContact O-CG 3.39Å; C1802-M1806 PolarHBondContact O-N 3.37Å; C1802-M1806 VanDerWaalsContact O-N 3.1Å; F1803-M1806 HydrophobicContact CD2-CE 4.44Å; F1803-M1806 PolarHBondContact O-N 3.24Å; M1806-G1809 CarbonylContact O-C 3.56Å; M1806-G1809 PolarHBondContact O-N 3.06Å; M1806-Y1810 PolarHBondContact O-N 3.42Å; M1806-F1813 HydrophobicContact CG-CZ 4.49Å; M1806-L1834 HydrophobicContact CB-CD1 4.32Å; M1806-L1834 WeakPolarHBondContact O-CD1 3.35Å; M1806-M1837 HydrophobicContact CG-CE 4.4Å; M1806-M1837 HydrophobicContact SD-CB 3.92Å; M1806-M1837 HydrophobicContact SD-CE 4.03Å; M1806-M1841 HydrophobicContact CE-CB 3.62Å; M1806-M1841 HydrophobicContact CE-CG 3.53Å; M1806-M1841 HydrophobicContact SD-CG 3.94Å; M1806-L1896 HydrophobicContact CG-CD1 3.48Å; M1806-L1896 VanDerWaalsContact CG-CD1 3.48Å; M1806-L1896 HydrophobicContact SD-CD1 3.98Å
1807T79.4Confident78.5Confident62 Ų6244 Ų4438%0.3825%0.251SS..Hα-helixtrans-65.9-45.9-177.1-53.70000111.8F1803 L1804 I1805F1803-T1807 WeakPolarHBondContact O-CB 3.16Å; F1803-T1807 PolarHBondContact O-N 3.17Å; F1803-T1807 VanDerWaalsContact O-N 3.09Å; F1803-T1807 PolarHBondContact O-OG1 3.49Å; L1804-T1807 PolarHBondContact O-N 3.37Å; I1805-T1807 VanDerWaalsContact C-N 3.35Å
1808F80.7Confident77.1Confident163 Ų16346.4 Ų46.472%0.71526%0.264SS*.Hα-helixtrans-73.5-30.7175.6-66.8-54.9000112.7L1804 Y1810L1804-F1808 HydrophobicContact CB-CD2 4.31Å; L1804-F1808 HydrophobicContact CB-CE2 4.18Å; L1804-F1808 HydrophobicContact CD2-CE2 4.17Å; L1804-F1808 WeakPolarHBondContact O-CD2 3.46Å; L1804-F1808 PolarHBondContact O-N 3.1Å; F1808-Y1810 VanDerWaalsContact C-N 3.28Å; F1808-Y1810 PolarHBondContact O-N 2.83Å
1809G74.2Confident75.6Confident8 Ų847.6 Ų47.68%0.08228%0.282CS..THydrogen-bonded Turntrans-85.817.6-178.700000115.4I1805 M1806 S1811 A1812 F1813I1805-G1809 WeakPolarHBondContact O-CA 3.46Å; I1805-G1809 PolarHBondContact O-N 2.91Å; M1806-G1809 CarbonylContact O-C 3.56Å; M1806-G1809 PolarHBondContact O-N 3.06Å; G1809-S1811 PolarHBondContact O-N 2.74Å; G1809-S1811 VanDerWaalsContact O-N 3.1Å; G1809-A1812 WeakPolarHBondContact O-CB 3.31Å; G1809-A1812 PolarHBondContact O-N 3.23Å; G1809-F1813 WeakPolarHBondContact O-CD2 3.44Å
1810Y75Confident74.2Confident31 Ų3151.3 Ų51.312%0.12230%0.302CS..G310 helixtrans-50.4-39.1-171.484-78.2000113.9M1806 F1808 A1812 F1813 N1820 V1821 D1824M1806-Y1810 PolarHBondContact O-N 3.42Å; F1808-Y1810 VanDerWaalsContact C-N 3.28Å; F1808-Y1810 PolarHBondContact O-N 2.83Å; Y1810-A1812 VanDerWaalsContact C-N 3.27Å; Y1810-A1812 PolarHBondContact O-N 3.3Å; Y1810-F1813 PolarHBondContact O-N 3.31Å; Y1810-N1820 VanDerWaalsContact OH-C 3.29Å; Y1810-V1821 HydrophobicContact CD1-CG2 4.21Å; Y1810-V1821 HydrophobicContact CE1-CB 4.47Å; Y1810-V1821 HydrophobicContact CE1-CG2 3.49Å; Y1810-V1821 VanDerWaalsContact CE1-CG2 3.49Å; Y1810-V1821 WeakPolarHBondContact OH-CA 3.47Å; Y1810-V1821 PolarHBondContact OH-N 3.27Å; Y1810-D1824 HydrophobicContact CE2-CB 3.91Å; Y1810-D1824 WeakPolarHBondContact CE2-OD2 3.41Å; Y1810-D1824 PolarHBondContact OH-OD2 2.76Å
1811S72.5Confident73Confident35 Ų3553.2 Ų53.225%0.24531%0.313CS..G310 helixtrans-69.8-17.4-179.260.90000114.4G1809G1809-S1811 PolarHBondContact O-N 2.74Å; G1809-S1811 VanDerWaalsContact O-N 3.1Å
1812A75.1Confident71.7Confident13 Ų1353.7 Ų53.711%0.10732%0.316CS..G310 helixtrans-87.5-11.3-178.100000114G1809 Y1810 N1890 V1892G1809-A1812 WeakPolarHBondContact O-CB 3.31Å; G1809-A1812 PolarHBondContact O-N 3.23Å; Y1810-A1812 VanDerWaalsContact C-N 3.27Å; Y1810-A1812 PolarHBondContact O-N 3.3Å; A1812-N1890 PolarHBondContact O-ND2 3.05Å; A1812-V1892 HydrophobicContact CB-CB 3.75Å; A1812-V1892 HydrophobicContact CB-CG1 4.44Å; A1812-V1892 HydrophobicContact CB-CG2 3.52Å
1813F75.7Confident70.5Confident1 Ų156.4 Ų56.40%0.00433%0.331CS..SBendtrans-99-9.3179.6-61.9-73.9000113.7M1806 G1809 Y1810 T1833 L1834 M1837 L1879 T1883 V1892 L1896M1806-F1813 HydrophobicContact CG-CZ 4.49Å; G1809-F1813 WeakPolarHBondContact O-CD2 3.44Å; Y1810-F1813 PolarHBondContact O-N 3.31Å; F1813-T1833 PolarHBondContact O-OG1 3.41Å; F1813-L1834 HydrophobicContact CB-CB 4.48Å; F1813-L1834 HydrophobicContact CD2-CD1 4.02Å; F1813-L1834 HydrophobicContact CE2-CD1 4.48Å; F1813-M1837 HydrophobicContact CD1-CE 4.2Å; F1813-M1837 HydrophobicContact CD1-SD 3.8Å; F1813-M1837 HydrophobicContact CE1-CE 3.6Å; F1813-M1837 HydrophobicContact CE1-SD 3.84Å; F1813-M1837 HydrophobicContact CZ-CE 3.99Å; F1813-L1879 HydrophobicContact CD1-CD1 4.06Å; F1813-L1879 HydrophobicContact CD1-CD2 4.21Å; F1813-L1879 HydrophobicContact CE1-CD2 4.27Å; F1813-T1883 WeakPolarHBondContact O-CG2 3.37Å; F1813-V1892 HydrophobicContact CE2-CG1 3.59Å; F1813-V1892 HydrophobicContact CZ-CB 4.5Å; F1813-V1892 HydrophobicContact CZ-CG1 3.59Å; F1813-L1896 HydrophobicContact CZ-CD1 4.26Å
1814G67.6Low69.4Low10 Ų1054.1 Ų54.110%0.10332%0.321CS..SBendtrans-110.1173.9179.200000114.3G1816G1814-G1816 PolarHBondContact O-N 2.87Å
1815E64Low68.4Low171 Ų17155 Ų5580%0.79933%0.329SS*.SBendtrans-76.159.4177.3-61.6-178157.200112.2
1816G57Low67.1Low38 Ų3858.4 Ų58.439%0.39234%0.343SS..  trans83.974.4168.900000116.4G1814G1814-G1816 PolarHBondContact O-N 2.87Å
1817G54.2Low66.3Low31 Ų3160.8 Ų60.832%0.3236%0.363SS..  trans-75.8156.4164.600000112.6G1819 D1824G1817-G1819 PolarHBondContact O-N 3.44Å; G1817-G1819 VanDerWaalsContact O-N 3.15Å; G1817-D1824 WeakPolarHBondContact CA-OD1 3.45Å; G1817-D1824 WeakPolarHBondContact CA-OD2 3.33Å
1818S56.4Low65.6Low80 Ų8062.8 Ų62.856%0.55938%0.379SS*.  trans-70.3-8.3-177.768.30000114.2N1820 D1824S1818-N1820 PolarHBondContact O-N 3.5Å; S1818-N1820 PolarHBondContact OG-N 3.39Å; S1818-N1820 VanDerWaalsContact OG-N 3.13Å; S1818-N1820 PolarHBondContact OG-O 2.92Å; S1818-D1824 PolarHBondContact N-OD1 2.96Å; S1818-D1824 PolarHBondContact N-OD2 3.04Å
1819G58.1Low64.8Low50 Ų5063.2 Ų63.252%0.51538%0.376SS..SBendtrans81.1-12.2-16800000113.4G1817G1817-G1819 PolarHBondContact O-N 3.44Å; G1817-G1819 VanDerWaalsContact O-N 3.15Å
1820N60.5Low64.5Low79 Ų7968.3 Ų68.342%0.42240%0.4SS..  trans-99.8106.6178.1-167.614.2000110.2Y1810 S1818 L1822 D1823 D1824Y1810-N1820 VanDerWaalsContact OH-C 3.29Å; S1818-N1820 PolarHBondContact O-N 3.5Å; S1818-N1820 PolarHBondContact OG-N 3.39Å; S1818-N1820 VanDerWaalsContact OG-N 3.13Å; S1818-N1820 PolarHBondContact OG-O 2.92Å; N1820-L1822 PolarHBondContact O-N 2.87Å; N1820-D1823 HydrophobicContact CB-CB 4.48Å; N1820-D1823 WeakPolarHBondContact CB-OD2 3.42Å; N1820-D1823 PolarHBondContact ND2-OD2 3.3Å; N1820-D1823 PolarHBondContact O-N 3.13Å; N1820-D1824 PolarHBondContact O-N 3.38Å
1821V61.7Low64.3Low84 Ų8467.9 Ų67.951%0.50940%0.401SS..Hα-helixtrans-49.5-36.7-179.3-179.90000111.4Y1810 D1823 V1825Y1810-V1821 HydrophobicContact CD1-CG2 4.21Å; Y1810-V1821 HydrophobicContact CE1-CB 4.47Å; Y1810-V1821 HydrophobicContact CE1-CG2 3.49Å; Y1810-V1821 VanDerWaalsContact CE1-CG2 3.49Å; Y1810-V1821 WeakPolarHBondContact OH-CA 3.47Å; Y1810-V1821 PolarHBondContact OH-N 3.27Å; V1821-D1823 VanDerWaalsContact C-N 3.29Å; V1821-D1823 PolarHBondContact O-N 3.09Å; V1821-V1825 HydrophobicContact CG1-CG2 4.06Å; V1821-V1825 VanDerWaalsContact O-CB 3.25Å; V1821-V1825 WeakPolarHBondContact O-CB 3.43Å; V1821-V1825 WeakPolarHBondContact O-CG2 3.4Å; V1821-V1825 PolarHBondContact O-N 3.36Å
1822L60.9Low64.6Low93 Ų9371.5 Ų71.549%0.48742%0.422SS..Hα-helixtrans-64.2-32.3-178.3-150.978.2000113N1820 K1826N1820-L1822 PolarHBondContact O-N 2.87Å; L1822-K1826 WeakPolarHBondContact O-CD 3.28Å; L1822-K1826 WeakPolarHBondContact O-CG 3.48Å; L1822-K1826 PolarHBondContact O-N 3.44Å; L1822-K1826 VanDerWaalsContact O-N 3.11Å
1823D64Low64.8Low59 Ų5971.5 Ų71.532%0.31642%0.421SS..Hα-helixtrans-87.9-37.8-176.3-59.5-36.5000111.5N1820 V1821 V1825 K1826 A1827N1820-D1823 HydrophobicContact CB-CB 4.48Å; N1820-D1823 WeakPolarHBondContact CB-OD2 3.42Å; N1820-D1823 PolarHBondContact ND2-OD2 3.3Å; N1820-D1823 PolarHBondContact O-N 3.13Å; V1821-D1823 VanDerWaalsContact C-N 3.29Å; V1821-D1823 PolarHBondContact O-N 3.09Å; D1823-V1825 VanDerWaalsContact C-N 3.33Å; D1823-V1825 PolarHBondContact O-N 3.05Å; D1823-K1826 PolarHBondContact O-N 3.07Å; D1823-K1826 IonicContact OD1-NZ 3.65Å; D1823-K1826 PolarHBondContact OD1-NZ 2.85Å; D1823-A1827 WeakPolarHBondContact O-CB 3.33Å; D1823-A1827 PolarHBondContact O-N 3.3Å
1824D64.2Low65.1Low14 Ų1472.3 Ų72.38%0.07543%0.425CS..Hα-helixtrans-67-34.7172.4-65.7-33000111.4Y1810 G1817 S1818 N1820 A1827 S1828 R1829Y1810-D1824 HydrophobicContact CE2-CB 3.91Å; Y1810-D1824 WeakPolarHBondContact CE2-OD2 3.41Å; Y1810-D1824 PolarHBondContact OH-OD2 2.76Å; G1817-D1824 WeakPolarHBondContact CA-OD1 3.45Å; G1817-D1824 WeakPolarHBondContact CA-OD2 3.33Å; S1818-D1824 PolarHBondContact N-OD1 2.96Å; S1818-D1824 PolarHBondContact N-OD2 3.04Å; N1820-D1824 PolarHBondContact O-N 3.38Å; D1824-A1827 CarbonylContact O-C 3.43Å; D1824-A1827 PolarHBondContact O-N 3.19Å; D1824-S1828 PolarHBondContact O-N 2.92Å; D1824-S1828 VanDerWaalsContact O-N 3.1Å; D1824-R1829 PolarHBondContact O-N 2.98Å
1825V64.2Low65.7Low94 Ų9475.3 Ų75.357%0.5744%0.441SS*.Hα-helixtrans-68.5-41.7170.9169.50000112V1821 D1823 A1827 S1828V1821-V1825 HydrophobicContact CG1-CG2 4.06Å; V1821-V1825 VanDerWaalsContact O-CB 3.25Å; V1821-V1825 WeakPolarHBondContact O-CB 3.43Å; V1821-V1825 WeakPolarHBondContact O-CG2 3.4Å; V1821-V1825 PolarHBondContact O-N 3.36Å; D1823-V1825 VanDerWaalsContact C-N 3.33Å; D1823-V1825 PolarHBondContact O-N 3.05Å; V1825-A1827 VanDerWaalsContact C-N 3.26Å; V1825-A1827 PolarHBondContact O-N 3.5Å; V1825-S1828 PolarHBondContact O-N 3.19Å; V1825-S1828 VanDerWaalsContact O-N 3.08Å
1826K61.3Low66.7Low109 Ų10970.7 Ų70.747%0.47442%0.424SS..Hα-helixtrans-58.4-40.4172-76.7165.7-156.9164.10111.5L1822 D1823 S1828L1822-K1826 WeakPolarHBondContact O-CD 3.28Å; L1822-K1826 WeakPolarHBondContact O-CG 3.48Å; L1822-K1826 PolarHBondContact O-N 3.44Å; L1822-K1826 VanDerWaalsContact O-N 3.11Å; D1823-K1826 PolarHBondContact O-N 3.07Å; D1823-K1826 IonicContact OD1-NZ 3.65Å; D1823-K1826 PolarHBondContact OD1-NZ 2.85Å; K1826-S1828 PolarHBondContact O-N 2.96Å
1827A64.9Low67.9Low51 Ų5169.9 Ų69.942%0.42141%0.411SS..THydrogen-bonded Turntrans-76.9-4.6178.200000113.8D1823 D1824 V1825 R1829D1823-A1827 WeakPolarHBondContact O-CB 3.33Å; D1823-A1827 PolarHBondContact O-N 3.3Å; D1824-A1827 CarbonylContact O-C 3.43Å; D1824-A1827 PolarHBondContact O-N 3.19Å; V1825-A1827 VanDerWaalsContact C-N 3.26Å; V1825-A1827 PolarHBondContact O-N 3.5Å; A1827-R1829 HydrophobicContact CB-CB 4.32Å; A1827-R1829 HydrophobicContact CB-CG 3.79Å; A1827-R1829 PolarHBondContact O-N 3.3Å
1828S66Low69.4Low104 Ų10471 Ų7173%0.72741%0.409SS*.THydrogen-bonded Turntrans54.526.6-171.9-55.40000114D1824 V1825 K1826 I1830D1824-S1828 PolarHBondContact O-N 2.92Å; D1824-S1828 VanDerWaalsContact O-N 3.1Å; V1825-S1828 PolarHBondContact O-N 3.19Å; V1825-S1828 VanDerWaalsContact O-N 3.08Å; K1826-S1828 PolarHBondContact O-N 2.96Å; S1828-I1830 PolarHBondContact O-N 2.87Å
1829R64.1Low70.9Confident172 Ų17270.7 Ų70.765%0.64940%0.403SS*.  trans-91.273.5-176.6-70.4-179.1-178.1-172.50.4111.2D1824 A1827D1824-R1829 PolarHBondContact O-N 2.98Å; A1827-R1829 HydrophobicContact CB-CB 4.32Å; A1827-R1829 HydrophobicContact CB-CG 3.79Å; A1827-R1829 PolarHBondContact O-N 3.3Å
1830I66.6Low72.2Confident115 Ų11570.1 Ų70.159%0.5940%0.398SS*.  trans-88.2119.6167.7-56.4178.3000108.2S1828 V1832 V1835S1828-I1830 PolarHBondContact O-N 2.87Å; I1830-V1832 PolarHBondContact O-N 3.38Å; I1830-V1835 HydrophobicContact CG2-CG2 3.7Å
1831P71.5Confident73.6Confident22 Ų2267.5 Ų67.514%0.14338%0.383CS..  trans-62.4128.9-179.9-23.934.8000112.1T1833 L1834 V1835P1831-T1833 WeakPolarHBondContact CB-OG1 3.45Å; P1831-T1833 PolarHBondContact O-N 3.34Å; P1831-L1834 HydrophobicContact CB-CB 4.14Å; P1831-L1834 WeakPolarHBondContact O-CB 3.46Å; P1831-L1834 PolarHBondContact O-N 3.32Å; P1831-V1835 PolarHBondContact O-N 3.25Å
1832V78.3Confident74.8Confident111 Ų11165.9 Ų65.967%0.67337%0.374SS*.Hα-helixtrans-59.3-38.4178.7-179.40000111.3I1830 L1834 V1835 V1836I1830-V1832 PolarHBondContact O-N 3.38Å; V1832-L1834 VanDerWaalsContact C-N 3.32Å; V1832-L1834 PolarHBondContact O-N 3.05Å; V1832-V1835 PolarHBondContact O-N 3.4Å; V1832-V1836 HydrophobicContact CG1-CG2 4.46Å; V1832-V1836 WeakPolarHBondContact O-CG2 3.43Å; V1832-V1836 PolarHBondContact O-N 3.46Å
1833T80.4Confident76.1Confident14 Ų1466 Ų669%0.08637%0.374CS..Hα-helixtrans-52.5-45172.445.40000112.7F1813 P1831 M1837 M1882F1813-T1833 PolarHBondContact O-OG1 3.41Å; P1831-T1833 WeakPolarHBondContact CB-OG1 3.45Å; P1831-T1833 PolarHBondContact O-N 3.34Å; T1833-M1837 WeakPolarHBondContact O-CB 3.37Å; T1833-M1837 VanDerWaalsContact O-CG 3.27Å; T1833-M1837 WeakPolarHBondContact O-CG 3.21Å; T1833-M1837 PolarHBondContact O-N 2.97Å; T1833-M1882 HydrophobicContact CG2-CB 4.49Å; T1833-M1882 HydrophobicContact CG2-CE 3.84Å; T1833-M1882 HydrophobicContact CG2-SD 4.06Å
1834L80.8Confident77.3Confident17 Ų1763.4 Ų63.49%0.08936%0.361CS..Hα-helixtrans-66-43.9178.5177.470.1000111.8M1806 F1813 P1831 V1832 M1837 L1838M1806-L1834 HydrophobicContact CB-CD1 4.32Å; M1806-L1834 WeakPolarHBondContact O-CD1 3.35Å; F1813-L1834 HydrophobicContact CB-CB 4.48Å; F1813-L1834 HydrophobicContact CD2-CD1 4.02Å; F1813-L1834 HydrophobicContact CE2-CD1 4.48Å; P1831-L1834 HydrophobicContact CB-CB 4.14Å; P1831-L1834 WeakPolarHBondContact O-CB 3.46Å; P1831-L1834 PolarHBondContact O-N 3.32Å; V1832-L1834 VanDerWaalsContact C-N 3.32Å; V1832-L1834 PolarHBondContact O-N 3.05Å; L1834-M1837 PolarHBondContact O-N 2.99Å; L1834-L1838 WeakPolarHBondContact O-CB 3.34Å; L1834-L1838 PolarHBondContact O-N 3.13Å
1835V81.5Confident78.4Confident73 Ų7364 Ų6444%0.44236%0.364SS..Hα-helixtrans-62-45.8179.7-179.40000110.5I1830 P1831 V1832 M1837 L1838 V1839I1830-V1835 HydrophobicContact CG2-CG2 3.7Å; P1831-V1835 PolarHBondContact O-N 3.25Å; V1832-V1835 PolarHBondContact O-N 3.4Å; V1835-M1837 PolarHBondContact O-N 2.88Å; V1835-L1838 PolarHBondContact O-N 3.45Å; V1835-V1839 WeakPolarHBondContact O-CG2 3.43Å; V1835-V1839 PolarHBondContact O-N 2.95Å
1836V83.8Confident79.6Confident74 Ų7461.9 Ų61.945%0.44835%0.349SS..Hα-helixtrans-61.1-43.2176.3173.70000111.3V1832 G1840 W1874V1832-V1836 HydrophobicContact CG1-CG2 4.46Å; V1832-V1836 WeakPolarHBondContact O-CG2 3.43Å; V1832-V1836 PolarHBondContact O-N 3.46Å; V1836-G1840 PolarHBondContact O-N 3.43Å; V1836-W1874 HydrophobicContact CG1-CH2 3.96Å; V1836-W1874 HydrophobicContact CG1-CZ2 4.26Å
1837M82.9Confident81Confident22 Ų2260.7 Ų60.711%0.10835%0.347CS..Hα-helixtrans-67.5-40.1178.4-73.51796300113.1M1806 F1813 T1833 L1834 V1835 G1840 M1841 W1874 L1896M1806-M1837 HydrophobicContact CG-CE 4.4Å; M1806-M1837 HydrophobicContact SD-CB 3.92Å; M1806-M1837 HydrophobicContact SD-CE 4.03Å; F1813-M1837 HydrophobicContact CD1-CE 4.2Å; F1813-M1837 HydrophobicContact CD1-SD 3.8Å; F1813-M1837 HydrophobicContact CE1-CE 3.6Å; F1813-M1837 HydrophobicContact CE1-SD 3.84Å; F1813-M1837 HydrophobicContact CZ-CE 3.99Å; T1833-M1837 WeakPolarHBondContact O-CB 3.37Å; T1833-M1837 VanDerWaalsContact O-CG 3.27Å; T1833-M1837 WeakPolarHBondContact O-CG 3.21Å; T1833-M1837 PolarHBondContact O-N 2.97Å; L1834-M1837 PolarHBondContact O-N 2.99Å; V1835-M1837 PolarHBondContact O-N 2.88Å; M1837-G1840 PolarHBondContact O-N 3.46Å; M1837-M1841 WeakPolarHBondContact O-CB 3.34Å; M1837-M1841 WeakPolarHBondContact O-CG 3.41Å; M1837-M1841 PolarHBondContact O-N 3.11Å; M1837-W1874 HydrophobicContact CG-CZ2 4.26Å; M1837-W1874 PolarHBondContact SD-NE1 3.01Å; M1837-L1896 HydrophobicContact CE-CD1 3.62Å
1838L85.2Confident82.2Confident54 Ų5458.3 Ų58.328%0.28333%0.327SS..Hα-helixtrans-66.9-46.7179.7-164.8157.2000110.9F1803 L1834 V1835 M1841 T1842F1803-L1838 HydrophobicContact CE2-CD1 4.34Å; F1803-L1838 HydrophobicContact CE2-CD2 3.71Å; F1803-L1838 HydrophobicContact CE2-CG 3.74Å; F1803-L1838 HydrophobicContact CZ-CD1 4.36Å; F1803-L1838 HydrophobicContact CZ-CD2 4.14Å; F1803-L1838 HydrophobicContact CZ-CG 4.23Å; L1834-L1838 WeakPolarHBondContact O-CB 3.34Å; L1834-L1838 PolarHBondContact O-N 3.13Å; V1835-L1838 PolarHBondContact O-N 3.45Å; L1838-M1841 PolarHBondContact O-N 3.01Å; L1838-T1842 HydrophobicContact CD2-CG2 4.24Å; L1838-T1842 PolarHBondContact O-N 3Å; L1838-T1842 PolarHBondContact O-OG1 2.8Å
1839V87Confident83.2Confident73 Ų7355.3 Ų55.344%0.44230%0.3SS..Hα-helixtrans-64.8-41175.3174.90000111.4V1835 M1841 T1842 L1843V1835-V1839 WeakPolarHBondContact O-CG2 3.43Å; V1835-V1839 PolarHBondContact O-N 2.95Å; V1839-M1841 VanDerWaalsContact C-N 3.31Å; V1839-M1841 PolarHBondContact O-N 2.66Å; V1839-T1842 PolarHBondContact O-N 3.42Å; V1839-T1842 PolarHBondContact O-OG1 3.13Å; V1839-L1843 HydrophobicContact CG1-CD1 4.08Å; V1839-L1843 WeakPolarHBondContact O-CB 3.43Å; V1839-L1843 WeakPolarHBondContact O-CG 3.29Å; V1839-L1843 PolarHBondContact O-N 3.32Å; V1839-L1843 VanDerWaalsContact O-N 3.12Å
1840G87.1Confident84.3Confident39 Ų3947.9 Ų47.940%0.40228%0.275SS..Hα-helixtrans-60.5-39.7175.800000112.8V1836 M1837 A1844V1836-G1840 PolarHBondContact O-N 3.43Å; M1837-G1840 PolarHBondContact O-N 3.46Å; G1840-A1844 WeakPolarHBondContact O-CB 3.36Å; G1840-A1844 PolarHBondContact O-N 3.47Å
1841M88.2Confident85.4Confident23 Ų2343.8 Ų43.811%0.11326%0.255CS..Hα-helixtrans-77.2-34.5179.4-79-69.8-61.500113.9D1799 C1802 M1806 M1837 L1838 V1839 A1844 I1845D1799-M1841 HydrophobicContact CB-CE 4.49Å; C1802-M1841 HydrophobicContact CB-CE 3.72Å; M1806-M1841 HydrophobicContact CE-CB 3.62Å; M1806-M1841 HydrophobicContact CE-CG 3.53Å; M1806-M1841 HydrophobicContact SD-CG 3.94Å; M1837-M1841 WeakPolarHBondContact O-CB 3.34Å; M1837-M1841 WeakPolarHBondContact O-CG 3.41Å; M1837-M1841 PolarHBondContact O-N 3.11Å; L1838-M1841 PolarHBondContact O-N 3.01Å; V1839-M1841 VanDerWaalsContact C-N 3.31Å; V1839-M1841 PolarHBondContact O-N 2.66Å; M1841-A1844 PolarHBondContact O-N 3.16Å; M1841-I1845 VanDerWaalsContact O-CG1 3.31Å; M1841-I1845 WeakPolarHBondContact O-CG1 3.37Å; M1841-I1845 PolarHBondContact O-N 3.44Å
1842T87.1Confident86.1Confident51 Ų5143.2 Ų43.231%0.31325%0.25SC..Hα-helixtrans-64.5-42.7172.453.90000110.8F1803 L1838 V1839 A1844 I1845 I1846F1803-T1842 HydrophobicContact CD2-CG2 4.31Å; F1803-T1842 HydrophobicContact CE2-CG2 3.75Å; L1838-T1842 HydrophobicContact CD2-CG2 4.24Å; L1838-T1842 PolarHBondContact O-N 3Å; L1838-T1842 PolarHBondContact O-OG1 2.8Å; V1839-T1842 PolarHBondContact O-N 3.42Å; V1839-T1842 PolarHBondContact O-OG1 3.13Å; T1842-A1844 PolarHBondContact O-N 3.04Å; T1842-I1845 PolarHBondContact O-N 2.88Å; T1842-I1846 WeakPolarHBondContact O-CD1 3.08Å; T1842-I1846 VanDerWaalsContact O-CG1 3.25Å; T1842-I1846 WeakPolarHBondContact O-CG1 3.49Å; T1842-I1846 PolarHBondContact O-N 3.13Å; T1842-I1846 VanDerWaalsContact O-N 3.08Å
1843L88.1Confident86.3Confident94 Ų9439.7 Ų39.749%0.49223%0.227SC..Hα-helixtrans-60.9-42.6171.9-69.4171.7000112.1V1839 I1845 I1846 I1847V1839-L1843 HydrophobicContact CG1-CD1 4.08Å; V1839-L1843 WeakPolarHBondContact O-CB 3.43Å; V1839-L1843 WeakPolarHBondContact O-CG 3.29Å; V1839-L1843 PolarHBondContact O-N 3.32Å; V1839-L1843 VanDerWaalsContact O-N 3.12Å; L1843-I1845 VanDerWaalsContact C-N 3.34Å; L1843-I1845 PolarHBondContact O-N 3.42Å; L1843-I1846 PolarHBondContact O-N 3.35Å; L1843-I1847 VanDerWaalsContact O-CG1 3.3Å; L1843-I1847 WeakPolarHBondContact O-CG1 3.48Å; L1843-I1847 PolarHBondContact O-N 3.04Å
1844A88.9Confident86.6Confident5 Ų546.9 Ų46.94%0.04125%0.252CS..Hα-helixtrans-61.1-39.3177.800000112.9G1840 M1841 T1842 D1848 Y1863 M1867G1840-A1844 WeakPolarHBondContact O-CB 3.36Å; G1840-A1844 PolarHBondContact O-N 3.47Å; M1841-A1844 PolarHBondContact O-N 3.16Å; T1842-A1844 PolarHBondContact O-N 3.04Å; A1844-D1848 WeakPolarHBondContact O-CB 3.41Å; A1844-D1848 PolarHBondContact O-N 3.09Å; A1844-Y1863 PolarHBondContact O-OH 3.39Å; A1844-Y1863 VanDerWaalsContact O-OH 3.09Å; A1844-M1867 HydrophobicContact CB-CE 4.18Å
1845I88.9Confident86.7Confident26 Ų2649.6 Ų49.613%0.13326%0.263CS..Hα-helixtrans-66.5-43.1175.7-70.5164.7000111F1796 D1799 M1841 T1842 L1843 D1848 R1849F1796-I1845 HydrophobicContact CD2-CG2 4.12Å; F1796-I1845 HydrophobicContact CE2-CG2 3.88Å; D1799-I1845 HydrophobicContact CB-CD1 4.16Å; D1799-I1845 HydrophobicContact CB-CG1 3.89Å; M1841-I1845 VanDerWaalsContact O-CG1 3.31Å; M1841-I1845 WeakPolarHBondContact O-CG1 3.37Å; M1841-I1845 PolarHBondContact O-N 3.44Å; T1842-I1845 PolarHBondContact O-N 2.88Å; L1843-I1845 VanDerWaalsContact C-N 3.34Å; L1843-I1845 PolarHBondContact O-N 3.42Å; I1845-D1848 PolarHBondContact O-N 3.41Å; I1845-R1849 PolarHBondContact O-N 2.97Å
1846I89.2Confident87Confident50 Ų5048.2 Ų48.226%0.25626%0.257SS..Hα-helixtrans-63-45.4178.3-66.6166.5000110.6T1842 L1843 D1848 R1849 A1850 I1952 W1956T1842-I1846 WeakPolarHBondContact O-CD1 3.08Å; T1842-I1846 VanDerWaalsContact O-CG1 3.25Å; T1842-I1846 WeakPolarHBondContact O-CG1 3.49Å; T1842-I1846 PolarHBondContact O-N 3.13Å; T1842-I1846 VanDerWaalsContact O-N 3.08Å; L1843-I1846 PolarHBondContact O-N 3.35Å; I1846-D1848 PolarHBondContact O-N 3.43Å; I1846-R1849 PolarHBondContact O-N 3.34Å; I1846-A1850 WeakPolarHBondContact O-CB 3.33Å; I1846-A1850 PolarHBondContact O-N 2.98Å; I1846-I1952 HydrophobicContact CG1-CD1 3.97Å; I1846-I1952 HydrophobicContact CG2-CD1 4.39Å; I1846-W1956 HydrophobicContact CG2-CH2 3.53Å; I1846-W1956 HydrophobicContact CG2-CZ3 4.12Å
1847I89.8Confident87Confident84 Ų8446.1 Ų46.143%0.43124%0.244SC..Hα-helixtrans-63.1-40.3177-67.9165.6000111.2L1843 A1850 L1851 Y1863L1843-I1847 VanDerWaalsContact O-CG1 3.3Å; L1843-I1847 WeakPolarHBondContact O-CG1 3.48Å; L1843-I1847 PolarHBondContact O-N 3.04Å; I1847-A1850 PolarHBondContact O-N 3.19Å; I1847-L1851 HydrophobicContact CG2-CD1 4.06Å; I1847-L1851 HydrophobicContact CG2-CG 4.44Å; I1847-L1851 WeakPolarHBondContact O-CG 3.42Å; I1847-L1851 PolarHBondContact O-N 2.76Å; I1847-Y1863 HydrophobicContact CB-CE2 4.31Å; I1847-Y1863 HydrophobicContact CG2-CD2 3.77Å; I1847-Y1863 HydrophobicContact CG2-CE2 3.82Å
1848D89.7Confident87.2Confident2 Ų248.8 Ų48.81%0.01126%0.262CS..Hα-helixtrans-64.7-44.4177.3-163.810000112A1844 I1845 I1846 A1850 L1851 Y1852 K1860 Y1903A1844-D1848 WeakPolarHBondContact O-CB 3.41Å; A1844-D1848 PolarHBondContact O-N 3.09Å; I1845-D1848 PolarHBondContact O-N 3.41Å; I1846-D1848 PolarHBondContact O-N 3.43Å; D1848-A1850 VanDerWaalsContact C-N 3.31Å; D1848-A1850 PolarHBondContact O-N 3.3Å; D1848-L1851 PolarHBondContact O-N 3.34Å; D1848-Y1852 WeakPolarHBondContact O-CB 3.33Å; D1848-Y1852 PolarHBondContact O-N 2.9Å; D1848-K1860 IonicContact OD1-NZ 2.91Å; D1848-K1860 PolarHBondContact OD1-NZ 3.44Å; D1848-K1860 IonicContact OD2-NZ 2.7Å; D1848-K1860 PolarHBondContact OD2-NZ 2.96Å; D1848-K1860 VanDerWaalsContact OD2-NZ 3.16Å; D1848-Y1903 VanDerWaalsContact CG-OH 3.32Å; D1848-Y1903 WeakPolarHBondContact OD2-CE2 3.37Å; D1848-Y1903 PolarHBondContact OD2-OH 3.07Å
1849R88.4Confident87.3Confident40 Ų4047.1 Ų47.115%0.15126%0.257CS..Hα-helixtrans-61.3-40.3175.6-173.152.2171.5-173.3-1.3111.8Y1792 I1845 I1846 Y1852 L1853 I1952 D1953Y1792-R1849 WeakPolarHBondContact OH-CA 3.48Å; Y1792-R1849 WeakPolarHBondContact OH-CB 3.33Å; Y1792-R1849 WeakPolarHBondContact OH-CD 3.44Å; I1845-R1849 PolarHBondContact O-N 2.97Å; I1846-R1849 PolarHBondContact O-N 3.34Å; R1849-Y1852 PolarHBondContact O-N 3.29Å; R1849-L1853 HydrophobicContact CG-CD1 4.11Å; R1849-L1853 WeakPolarHBondContact O-CG 3.37Å; R1849-L1853 PolarHBondContact O-N 3.03Å; R1849-I1952 HydrophobicContact CB-CG2 4.2Å; R1849-I1952 HydrophobicContact CG-CG2 3.35Å; R1849-D1953 IonicContact CZ-OD1 3.65Å; R1849-D1953 IonicContact NE-OD1 2.7Å; R1849-D1953 PolarHBondContact NE-OD1 2.87Å; R1849-D1953 IonicContact NH2-OD1 3.85Å; R1849-D1953 PolarHBondContact NH2-OD1 2.89Å; R1849-D1953 IonicContact NH2-OD2 3.25Å; R1849-D1953 PolarHBondContact NH2-OD2 3.02Å
1850A87.3Confident87.4Confident16 Ų1643.6 Ų43.613%0.13224%0.236CC..Hα-helixtrans-64-43.5175.400000112.5I1846 I1847 D1848 L1853 R1854 W1956I1846-A1850 WeakPolarHBondContact O-CB 3.33Å; I1846-A1850 PolarHBondContact O-N 2.98Å; I1847-A1850 PolarHBondContact O-N 3.19Å; D1848-A1850 VanDerWaalsContact C-N 3.31Å; D1848-A1850 PolarHBondContact O-N 3.3Å; A1850-L1853 PolarHBondContact O-N 3.06Å; A1850-R1854 WeakPolarHBondContact O-CB 3.18Å; A1850-R1854 WeakPolarHBondContact O-CG 3.34Å; A1850-R1854 PolarHBondContact O-N 3.4Å; A1850-W1956 HydrophobicContact CB-CD2 3.64Å; A1850-W1956 HydrophobicContact CB-CE3 3.85Å; A1850-W1956 HydrophobicContact CB-CG 4.24Å; A1850-W1956 HydrophobicContact CB-CH2 4.09Å; A1850-W1956 HydrophobicContact CB-CZ2 3.84Å; A1850-W1956 HydrophobicContact CB-CZ3 4.05Å
1851L88.8Confident87.5Confident30 Ų3043 Ų4316%0.15722%0.224CC..Hα-helixtrans-64.8-38176.7-74.1172.8000112.6I1847 D1848 K1855 S1856 Y1863I1847-L1851 HydrophobicContact CG2-CD1 4.06Å; I1847-L1851 HydrophobicContact CG2-CG 4.44Å; I1847-L1851 WeakPolarHBondContact O-CG 3.42Å; I1847-L1851 PolarHBondContact O-N 2.76Å; D1848-L1851 PolarHBondContact O-N 3.34Å; L1851-K1855 PolarHBondContact O-N 2.91Å; L1851-K1855 VanDerWaalsContact O-N 3.08Å; L1851-S1856 PolarHBondContact O-N 3.22Å; L1851-Y1863 HydrophobicContact CD1-CD2 4.23Å; L1851-Y1863 HydrophobicContact CD1-CG 3.99Å
1852Y87.2Confident87.6Confident10 Ų1046.7 Ų46.74%0.03924%0.243CC..Hα-helixtrans-64.3-51.7173.9172.1-101.1000112.2D1790 Y1792 D1848 R1849 R1854 K1855 Y1915D1790-Y1852 WeakPolarHBondContact OD2-CE2 3.26Å; D1790-Y1852 PolarHBondContact OD2-OH 3.19Å; Y1792-Y1852 VanDerWaalsContact CB-CD2 3.4Å; Y1792-Y1852 AromaticContact CD1-CD1 4Å; Y1792-Y1852 HydrophobicContact CD1-CD1 4Å; Y1792-Y1852 HydrophobicContact CD1-CD2 4.2Å; Y1792-Y1852 HydrophobicContact CD1-CE1 4.05Å; Y1792-Y1852 HydrophobicContact CD1-CE2 4.24Å; Y1792-Y1852 HydrophobicContact CD1-CG 4.05Å; Y1792-Y1852 HydrophobicContact CD2-CD1 4.26Å; Y1792-Y1852 AromaticContact CD2-CD2 3.62Å; Y1792-Y1852 HydrophobicContact CD2-CD2 3.62Å; Y1792-Y1852 HydrophobicContact CD2-CE2 4.35Å; Y1792-Y1852 AromaticContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CE1-CD1 4.31Å; Y1792-Y1852 HydrophobicContact CE2-CG 4.01Å; Y1792-Y1852 HydrophobicContact CG-CD1 4.01Å; Y1792-Y1852 AromaticContact CG-CD2 3.43Å; Y1792-Y1852 HydrophobicContact CG-CD2 3.43Å; Y1792-Y1852 VanDerWaalsContact CG-CD2 3.43Å; Y1792-Y1852 HydrophobicContact CG-CE1 4.25Å; Y1792-Y1852 AromaticContact CG-CE2 3.7Å; Y1792-Y1852 HydrophobicContact CG-CE2 3.7Å; Y1792-Y1852 AromaticContact CG-CG 3.58Å; Y1792-Y1852 HydrophobicContact CG-CG 3.58Å; D1848-Y1852 WeakPolarHBondContact O-CB 3.33Å; D1848-Y1852 PolarHBondContact O-N 2.9Å; R1849-Y1852 PolarHBondContact O-N 3.29Å; Y1852-R1854 VanDerWaalsContact C-N 3.28Å; Y1852-R1854 PolarHBondContact O-N 3.5Å; Y1852-K1855 WeakPolarHBondContact O-CA 3.48Å; Y1852-K1855 PolarHBondContact O-N 3.05Å; Y1852-Y1915 AromaticContact CD2-CD1 3.96Å; Y1852-Y1915 HydrophobicContact CD2-CD1 3.96Å; Y1852-Y1915 AromaticContact CD2-CE1 3.72Å; Y1852-Y1915 HydrophobicContact CD2-CE1 3.72Å; Y1852-Y1915 HydrophobicContact CE2-CD1 4.31Å; Y1852-Y1915 HydrophobicContact CE2-CE1 4.43Å
1853L82.9Confident87.8Confident36 Ų3645.2 Ų45.219%0.18823%0.232CC..Hα-helixtrans-62.8-34.9179.5-69.1171.4000112R1849 A1850 K1855 I1952 W1956R1849-L1853 HydrophobicContact CG-CD1 4.11Å; R1849-L1853 WeakPolarHBondContact O-CG 3.37Å; R1849-L1853 PolarHBondContact O-N 3.03Å; A1850-L1853 PolarHBondContact O-N 3.06Å; L1853-K1855 VanDerWaalsContact C-N 3.28Å; L1853-K1855 PolarHBondContact O-N 3.48Å; L1853-I1952 HydrophobicContact CD1-CG2 4.49Å; L1853-W1956 HydrophobicContact CB-CB 4.05Å; L1853-W1956 HydrophobicContact CD1-CB 3.84Å; L1853-W1956 HydrophobicContact CD1-CE3 4.34Å
1854R84.6Confident87.9Confident165 Ų16540.9 Ų40.962%0.62321%0.209SC*.THydrogen-bonded Turntrans-76.6-5.9171.2-71.5-65.3-156.5-168.12.7114.5A1850 Y1852 S1856A1850-R1854 WeakPolarHBondContact O-CB 3.18Å; A1850-R1854 WeakPolarHBondContact O-CG 3.34Å; A1850-R1854 PolarHBondContact O-N 3.4Å; Y1852-R1854 VanDerWaalsContact C-N 3.28Å; Y1852-R1854 PolarHBondContact O-N 3.5Å; R1854-S1856 PolarHBondContact O-N 2.66Å; R1854-S1856 VanDerWaalsContact O-N 3.14Å
1855K84.3Confident87.8Confident74 Ų7443.8 Ų43.832%0.32223%0.226SC..THydrogen-bonded Turntrans54.627.5179.7-57.1173.7-175.8173.30114.2L1851 Y1852 L1853 V1857 E1917 C1919 E2366L1851-K1855 PolarHBondContact O-N 2.91Å; L1851-K1855 VanDerWaalsContact O-N 3.08Å; Y1852-K1855 WeakPolarHBondContact O-CA 3.48Å; Y1852-K1855 PolarHBondContact O-N 3.05Å; L1853-K1855 VanDerWaalsContact C-N 3.28Å; L1853-K1855 PolarHBondContact O-N 3.48Å; K1855-V1857 PolarHBondContact O-N 3.31Å; K1855-E1917 PolarHBondContact NZ-O 3.06Å; K1855-C1919 VanDerWaalsContact CE-SG 3.52Å; K1855-E2366 IonicContact NZ-OE1 2.69Å
1856S86.6Confident87.9Confident45 Ų4548 Ų4832%0.31525%0.248SC..  trans-89.298.2-171.5-1760000113.3L1851 R1854 V1858 G1859 K1860L1851-S1856 PolarHBondContact O-N 3.22Å; R1854-S1856 PolarHBondContact O-N 2.66Å; R1854-S1856 VanDerWaalsContact O-N 3.14Å; S1856-V1858 PolarHBondContact O-N 2.89Å; S1856-G1859 PolarHBondContact O-N 2.96Å; S1856-G1859 PolarHBondContact OG-N 3.29Å; S1856-K1860 WeakPolarHBondContact O-CB 3.46Å; S1856-K1860 PolarHBondContact O-N 3.38Å
1857V84.1Confident87.9Confident29 Ų2947.2 Ų47.218%0.17624%0.244CC..Hα-helixtrans-65.2-37.2177.2-175.10000112.1F1781 K1855 K1860 L1861 I1911 Y1915F1781-V1857 HydrophobicContact CD1-CG1 4.45Å; F1781-V1857 HydrophobicContact CE1-CG1 4.3Å; K1855-V1857 PolarHBondContact O-N 3.31Å; V1857-K1860 PolarHBondContact O-N 2.91Å; V1857-L1861 PolarHBondContact O-N 3.33Å; V1857-I1911 HydrophobicContact CG1-CG2 4.06Å; V1857-Y1915 HydrophobicContact CG2-CD2 3.81Å; V1857-Y1915 HydrophobicContact CG2-CE2 4.2Å
1858V86.8Confident87.9Confident79 Ų7943.2 Ų43.248%0.47922%0.223SC..Hα-helixtrans-65.6-47177.8-179.40000110.8F1781 S1856 K1860 L1861 I1862F1781-V1858 HydrophobicContact CE1-CG2 4.2Å; F1781-V1858 HydrophobicContact CZ-CG2 3.99Å; S1856-V1858 PolarHBondContact O-N 2.89Å; V1858-K1860 PolarHBondContact O-N 3.21Å; V1858-L1861 PolarHBondContact O-N 2.96Å; V1858-I1862 HydrophobicContact CG1-CD1 4.14Å; V1858-I1862 WeakPolarHBondContact O-CG1 3.29Å; V1858-I1862 PolarHBondContact O-N 3.43Å; V1858-I1862 VanDerWaalsContact O-N 3.09Å
1859G87.8Confident87.8Confident18 Ų1845.3 Ų45.319%0.18624%0.241CC..Hα-helixtrans-60-37.7174.700000111.9S1856 Y1863S1856-G1859 PolarHBondContact O-N 2.96Å; S1856-G1859 PolarHBondContact OG-N 3.29Å; G1859-Y1863 VanDerWaalsContact O-CB 3.28Å; G1859-Y1863 WeakPolarHBondContact O-CB 3.32Å; G1859-Y1863 PolarHBondContact O-N 3.46Å
1860K89.7Confident87.8Confident0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-66.8-39.2176.3-17067.8-165.1177.80113.5M1795 D1848 S1856 V1857 V1858 Y1863 Q1864 Y1903 S1907 I1911 Y1915M1795-K1860 VanDerWaalsContact CE-NZ 3.31Å; D1848-K1860 IonicContact OD1-NZ 2.91Å; D1848-K1860 PolarHBondContact OD1-NZ 3.44Å; D1848-K1860 IonicContact OD2-NZ 2.7Å; D1848-K1860 PolarHBondContact OD2-NZ 2.96Å; D1848-K1860 VanDerWaalsContact OD2-NZ 3.16Å; S1856-K1860 WeakPolarHBondContact O-CB 3.46Å; S1856-K1860 PolarHBondContact O-N 3.38Å; V1857-K1860 PolarHBondContact O-N 2.91Å; V1858-K1860 PolarHBondContact O-N 3.21Å; K1860-Y1863 HydrophobicContact CD-CD1 4.41Å; K1860-Q1864 WeakPolarHBondContact O-CB 3.19Å; K1860-Q1864 PolarHBondContact O-N 3.1Å; K1860-Y1903 PolarHBondContact NZ-OH 2.97Å; K1860-S1907 WeakPolarHBondContact CE-OG 3.46Å; K1860-I1911 HydrophobicContact CB-CG1 4.42Å; K1860-I1911 HydrophobicContact CG-CD1 4.11Å; K1860-I1911 HydrophobicContact CG-CG1 3.92Å; K1860-Y1915 WeakPolarHBondContact CG-OH 3.34Å
1861L88.8Confident87.8Confident26 Ų2648.6 Ų48.614%0.13625%0.254CS..Hα-helixtrans-64.7-46175.3-178.464.2000111.7L1607 L1780 F1781 V1857 V1858 Q1864 V1865 I1911L1607-L1861 HydrophobicContact CD1-CD1 4.25Å; L1780-L1861 HydrophobicContact CD2-CD1 4.46Å; L1780-L1861 HydrophobicContact CD2-CD2 4.22Å; F1781-L1861 HydrophobicContact CE1-CD2 4.24Å; F1781-L1861 HydrophobicContact CZ-CD2 3.88Å; V1857-L1861 PolarHBondContact O-N 3.33Å; V1858-L1861 PolarHBondContact O-N 2.96Å; L1861-Q1864 PolarHBondContact O-N 2.86Å; L1861-V1865 WeakPolarHBondContact O-CG2 3.41Å; L1861-V1865 PolarHBondContact O-N 3.16Å; L1861-I1911 HydrophobicContact CB-CD1 4.38Å; L1861-I1911 HydrophobicContact CD1-CD1 4.24Å
1862I90.4Very high87.7Confident100 Ų10047.8 Ų47.851%0.51325%0.249SC..Hα-helixtrans-59.9-48.4176.6-65.7168.1000110.2V1858 Q1864 V1865 L1866V1858-I1862 HydrophobicContact CG1-CD1 4.14Å; V1858-I1862 WeakPolarHBondContact O-CG1 3.29Å; V1858-I1862 PolarHBondContact O-N 3.43Å; V1858-I1862 VanDerWaalsContact O-N 3.09Å; I1862-Q1864 VanDerWaalsContact C-N 3.33Å; I1862-Q1864 PolarHBondContact O-N 3.47Å; I1862-V1865 PolarHBondContact O-N 3.3Å; I1862-L1866 HydrophobicContact CG2-CD1 3.93Å; I1862-L1866 HydrophobicContact CG2-CG 4.49Å; I1862-L1866 WeakPolarHBondContact O-CG 3.37Å; I1862-L1866 PolarHBondContact O-N 2.92Å
1863Y90.8Very high87.7Confident21 Ų2151.8 Ų51.88%0.08227%0.27CS..Hα-helixtrans-56.6-44.2175.2172.9-89.3000112.1A1844 I1847 L1851 G1859 K1860 L1866 M1867 Y1903A1844-Y1863 PolarHBondContact O-OH 3.39Å; A1844-Y1863 VanDerWaalsContact O-OH 3.09Å; I1847-Y1863 HydrophobicContact CB-CE2 4.31Å; I1847-Y1863 HydrophobicContact CG2-CD2 3.77Å; I1847-Y1863 HydrophobicContact CG2-CE2 3.82Å; L1851-Y1863 HydrophobicContact CD1-CD2 4.23Å; L1851-Y1863 HydrophobicContact CD1-CG 3.99Å; G1859-Y1863 VanDerWaalsContact O-CB 3.28Å; G1859-Y1863 WeakPolarHBondContact O-CB 3.32Å; G1859-Y1863 PolarHBondContact O-N 3.46Å; K1860-Y1863 HydrophobicContact CD-CD1 4.41Å; Y1863-L1866 PolarHBondContact O-N 3.09Å; Y1863-M1867 HydrophobicContact CD1-CG 4.25Å; Y1863-M1867 HydrophobicContact CD2-CG 4.17Å; Y1863-M1867 HydrophobicContact CE1-CG 3.92Å; Y1863-M1867 HydrophobicContact CE2-CG 3.88Å; Y1863-M1867 HydrophobicContact CE2-SD 4.43Å; Y1863-M1867 HydrophobicContact CG-CG 4.36Å; Y1863-M1867 WeakPolarHBondContact O-CB 3.49Å; Y1863-M1867 VanDerWaalsContact O-CG 3.27Å; Y1863-M1867 WeakPolarHBondContact O-CG 3.19Å; Y1863-M1867 PolarHBondContact O-N 2.73Å; Y1863-Y1903 HydrophobicContact CE1-CE1 4.4Å; Y1863-Y1903 WeakPolarHBondContact CE1-OH 3.16Å
1864Q90.1Very high87.9Confident2 Ų252.3 Ų52.31%0.00927%0.27CS..Hα-helixtrans-64.4-43.4178.9175.6153.6-11.100112.5K1860 L1861 I1862 I1868 F1904 S1907 I1911K1860-Q1864 WeakPolarHBondContact O-CB 3.19Å; K1860-Q1864 PolarHBondContact O-N 3.1Å; L1861-Q1864 PolarHBondContact O-N 2.86Å; I1862-Q1864 VanDerWaalsContact C-N 3.33Å; I1862-Q1864 PolarHBondContact O-N 3.47Å; Q1864-I1868 HydrophobicContact CG-CD1 3.62Å; Q1864-I1868 HydrophobicContact CG-CG1 4.36Å; Q1864-I1868 WeakPolarHBondContact O-CB 3.45Å; Q1864-I1868 WeakPolarHBondContact O-CD1 3.16Å; Q1864-I1868 VanDerWaalsContact O-CG1 3.23Å; Q1864-I1868 WeakPolarHBondContact O-CG1 3.33Å; Q1864-I1868 PolarHBondContact O-N 3.06Å; Q1864-F1904 HydrophobicContact CG-CD1 4.47Å; Q1864-F1904 PolarHBondContact NE2-O 3.18Å; Q1864-S1907 VanDerWaalsContact OE1-C 3.31Å; Q1864-S1907 PolarHBondContact OE1-OG 2.97Å; Q1864-I1911 HydrophobicContact CB-CD1 4.23Å; Q1864-I1911 VanDerWaalsContact OE1-CD1 3.24Å
1865V88.6Confident87.8Confident67 Ų6744.8 Ų44.841%0.40624%0.242SC..Hα-helixtrans-62.4-47.2177.1173.50000111.1F1603 L1861 I1862 I1868 A1869F1603-V1865 HydrophobicContact CE1-CG2 4.12Å; L1861-V1865 WeakPolarHBondContact O-CG2 3.41Å; L1861-V1865 PolarHBondContact O-N 3.16Å; I1862-V1865 PolarHBondContact O-N 3.3Å; V1865-I1868 PolarHBondContact O-N 3.5Å; V1865-A1869 PolarHBondContact O-N 3.38Å; V1865-A1869 VanDerWaalsContact O-N 3.09Å
1866L90.7Very high87.8Confident114 Ų11442.7 Ų42.760%0.59723%0.233SC*.Hα-helixtrans-62.6-45178.9-68.9173.7000112.1I1862 Y1863 A1869 F1870I1862-L1866 HydrophobicContact CG2-CD1 3.93Å; I1862-L1866 HydrophobicContact CG2-CG 4.49Å; I1862-L1866 WeakPolarHBondContact O-CG 3.37Å; I1862-L1866 PolarHBondContact O-N 2.92Å; Y1863-L1866 PolarHBondContact O-N 3.09Å; L1866-A1869 PolarHBondContact O-N 2.78Å; L1866-F1870 WeakPolarHBondContact O-CB 3.49Å; L1866-F1870 PolarHBondContact O-N 2.97Å
1867M88.8Confident87.7Confident34 Ų3443.6 Ų43.617%0.16723%0.234CC..Hα-helixtrans-69.5-34.7-179.5-71.9-61.4-66.200113.1A1844 Y1863 L1871 F1904A1844-M1867 HydrophobicContact CB-CE 4.18Å; Y1863-M1867 HydrophobicContact CD1-CG 4.25Å; Y1863-M1867 HydrophobicContact CD2-CG 4.17Å; Y1863-M1867 HydrophobicContact CE1-CG 3.92Å; Y1863-M1867 HydrophobicContact CE2-CG 3.88Å; Y1863-M1867 HydrophobicContact CE2-SD 4.43Å; Y1863-M1867 HydrophobicContact CG-CG 4.36Å; Y1863-M1867 WeakPolarHBondContact O-CB 3.49Å; Y1863-M1867 VanDerWaalsContact O-CG 3.27Å; Y1863-M1867 WeakPolarHBondContact O-CG 3.19Å; Y1863-M1867 PolarHBondContact O-N 2.73Å; M1867-L1871 WeakPolarHBondContact O-CB 3.4Å; M1867-L1871 PolarHBondContact O-N 3.2Å; M1867-F1904 HydrophobicContact CB-CE1 3.69Å; M1867-F1904 HydrophobicContact CB-CZ 3.87Å
1868I90.1Very high87.7Confident0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-64.7-47.1173.5-72.2167.7000110.1L1599 L1602 F1603 Q1864 V1865 L1871 H1872 F1904L1599-I1868 HydrophobicContact CD2-CG2 4.05Å; L1602-I1868 HydrophobicContact CB-CD1 4.22Å; L1602-I1868 HydrophobicContact CD1-CD1 4.38Å; L1602-I1868 HydrophobicContact CD1-CG2 4.47Å; F1603-I1868 HydrophobicContact CD1-CD1 4.35Å; F1603-I1868 HydrophobicContact CE1-CB 4.29Å; F1603-I1868 HydrophobicContact CE1-CD1 3.78Å; F1603-I1868 HydrophobicContact CE1-CG2 4.11Å; F1603-I1868 HydrophobicContact CE2-CG2 4.12Å; F1603-I1868 HydrophobicContact CZ-CB 4.06Å; F1603-I1868 HydrophobicContact CZ-CD1 4.33Å; F1603-I1868 HydrophobicContact CZ-CG2 3.55Å; Q1864-I1868 HydrophobicContact CG-CD1 3.62Å; Q1864-I1868 HydrophobicContact CG-CG1 4.36Å; Q1864-I1868 WeakPolarHBondContact O-CB 3.45Å; Q1864-I1868 WeakPolarHBondContact O-CD1 3.16Å; Q1864-I1868 VanDerWaalsContact O-CG1 3.23Å; Q1864-I1868 WeakPolarHBondContact O-CG1 3.33Å; Q1864-I1868 PolarHBondContact O-N 3.06Å; V1865-I1868 PolarHBondContact O-N 3.5Å; I1868-L1871 PolarHBondContact O-N 3.11Å; I1868-H1872 PolarHBondContact O-N 2.97Å; I1868-H1872 VanDerWaalsContact O-N 3.13Å; I1868-H1872 PolarHBondContact O-ND1 2.93Å; I1868-F1904 HydrophobicContact CD1-CB 4.32Å; I1868-F1904 HydrophobicContact CD1-CD1 4.35Å; I1868-F1904 HydrophobicContact CD1-CG 4.17Å; I1868-F1904 HydrophobicContact CG1-CB 4.34Å; I1868-F1904 HydrophobicContact CG1-CD1 3.8Å; I1868-F1904 HydrophobicContact CG1-CD2 3.67Å; I1868-F1904 HydrophobicContact CG1-CE1 3.94Å; I1868-F1904 HydrophobicContact CG1-CE2 3.8Å; I1868-F1904 HydrophobicContact CG1-CG 3.68Å; I1868-F1904 HydrophobicContact CG1-CZ 3.95Å
1869A87.9Confident87.5Confident46 Ų4640.8 Ų40.838%0.3822%0.217SC..Hα-helixtrans-62.1-49.3178.700000111.7V1865 L1866 L1871 H1872 I1873V1865-A1869 PolarHBondContact O-N 3.38Å; V1865-A1869 VanDerWaalsContact O-N 3.09Å; L1866-A1869 PolarHBondContact O-N 2.78Å; A1869-L1871 PolarHBondContact O-N 3.41Å; A1869-H1872 PolarHBondContact O-N 3.01Å; A1869-I1873 WeakPolarHBondContact O-CG1 3.46Å; A1869-I1873 PolarHBondContact O-N 3.44Å; A1869-I1873 VanDerWaalsContact O-N 3.12Å
1870F88.3Confident87.2Confident112 Ų11240.2 Ų40.249%0.49121%0.21SC..Hα-helixtrans-56.4-47.7177.1178-101.6000111.9L1866 I1873 W1874L1866-F1870 WeakPolarHBondContact O-CB 3.49Å; L1866-F1870 PolarHBondContact O-N 2.97Å; F1870-I1873 PolarHBondContact O-N 3.1Å; F1870-W1874 HydrophobicContact CE1-CB 4.46Å; F1870-W1874 HydrophobicContact CE1-CG 4.5Å; F1870-W1874 AromaticContact CE2-CE3 3.82Å; F1870-W1874 HydrophobicContact CE2-CE3 3.82Å; F1870-W1874 HydrophobicContact CE2-CZ3 4.35Å; F1870-W1874 HydrophobicContact CZ-CB 4.49Å; F1870-W1874 AromaticContact CZ-CD2 3.98Å; F1870-W1874 HydrophobicContact CZ-CD2 3.98Å; F1870-W1874 AromaticContact CZ-CE3 3.67Å; F1870-W1874 HydrophobicContact CZ-CE3 3.67Å; F1870-W1874 HydrophobicContact CZ-CG 4.35Å; F1870-W1874 HydrophobicContact CZ-CZ3 4.23Å; F1870-W1874 WeakPolarHBondContact O-CB 3.44Å; F1870-W1874 PolarHBondContact O-N 3Å
1871L86.7Confident86.9Confident12 Ų1243.9 Ų43.96%0.06323%0.23CC..Hα-helixtrans-66.4-39.6-177179.2140000113.1M1867 I1868 A1869 V1875 L1896 Y1897 K1900 F1904M1867-L1871 WeakPolarHBondContact O-CB 3.4Å; M1867-L1871 PolarHBondContact O-N 3.2Å; I1868-L1871 PolarHBondContact O-N 3.11Å; A1869-L1871 PolarHBondContact O-N 3.41Å; L1871-V1875 HydrophobicContact CG-CG2 4.27Å; L1871-V1875 WeakPolarHBondContact O-CB 3.12Å; L1871-V1875 WeakPolarHBondContact O-CG2 3.29Å; L1871-V1875 PolarHBondContact O-N 3.46Å; L1871-L1896 HydrophobicContact CD1-CD2 4.36Å; L1871-Y1897 HydrophobicContact CD2-CD2 3.34Å; L1871-Y1897 HydrophobicContact CD2-CE2 3.52Å; L1871-Y1897 HydrophobicContact CD2-CG 4.4Å; L1871-Y1897 HydrophobicContact CG-CD2 4.5Å; L1871-K1900 HydrophobicContact CD1-CB 3.69Å; L1871-K1900 HydrophobicContact CD1-CG 3.43Å; L1871-K1900 VanDerWaalsContact CD1-CG 3.43Å; L1871-F1904 HydrophobicContact CB-CE2 4.39Å; L1871-F1904 HydrophobicContact CD1-CE2 4.09Å; L1871-F1904 HydrophobicContact CD1-CZ 4.43Å; L1871-F1904 HydrophobicContact CD2-CE2 4.27Å
1872H86.8Confident86.6Confident14 Ų1447 Ų477%0.06525%0.245CC..Hα-helixtrans-67.1-42.6176.7-73.980.3000111.7I1868 A1869 F1876 Y1897I1868-H1872 PolarHBondContact O-N 2.97Å; I1868-H1872 VanDerWaalsContact O-N 3.13Å; I1868-H1872 PolarHBondContact O-ND1 2.93Å; A1869-H1872 PolarHBondContact O-N 3.01Å; H1872-F1876 HydrophobicContact CB-CD2 4.47Å; H1872-F1876 AromaticContact CD2-CE2 3.89Å; H1872-F1876 WeakPolarHBondContact O-CB 3.45Å; H1872-F1876 WeakPolarHBondContact O-CD2 3.31Å; H1872-F1876 PolarHBondContact O-N 3.42Å; H1872-F1876 VanDerWaalsContact O-N 3.16Å; H1872-Y1897 AromaticContact CD2-CE2 3.87Å; H1872-Y1897 AromaticContact NE2-CE2 3.61Å; H1872-Y1897 AromaticContact NE2-CZ 3.61Å; H1872-Y1897 PolarHBondContact NE2-OH 2.94Å
1873I87Confident86Confident93 Ų9342.7 Ų42.748%0.47722%0.223SC..Hα-helixtrans-64.7-44.8176.1-65.9167.4000110.4A1869 F1870 L1877 V1878A1869-I1873 WeakPolarHBondContact O-CG1 3.46Å; A1869-I1873 PolarHBondContact O-N 3.44Å; A1869-I1873 VanDerWaalsContact O-N 3.12Å; F1870-I1873 PolarHBondContact O-N 3.1Å; I1873-L1877 WeakPolarHBondContact O-CB 3.45Å; I1873-L1877 PolarHBondContact O-N 3.49Å; I1873-L1877 VanDerWaalsContact O-N 3.07Å; I1873-V1878 HydrophobicContact CG2-CG2 4.2Å; I1873-V1878 PolarHBondContact O-N 3.08Å; I1873-V1878 VanDerWaalsContact O-N 3.09Å
1874W86.3Confident85.4Confident47 Ų4749.3 Ų49.318%0.17825%0.248CC..Iπ-helixtrans-66.3-47.8-177.6-166.5-92000112.5V1836 M1837 F1870 V1878 L1879V1836-W1874 HydrophobicContact CG1-CH2 3.96Å; V1836-W1874 HydrophobicContact CG1-CZ2 4.26Å; M1837-W1874 HydrophobicContact CG-CZ2 4.26Å; M1837-W1874 PolarHBondContact SD-NE1 3.01Å; F1870-W1874 HydrophobicContact CE1-CB 4.46Å; F1870-W1874 HydrophobicContact CE1-CG 4.5Å; F1870-W1874 AromaticContact CE2-CE3 3.82Å; F1870-W1874 HydrophobicContact CE2-CE3 3.82Å; F1870-W1874 HydrophobicContact CE2-CZ3 4.35Å; F1870-W1874 HydrophobicContact CZ-CB 4.49Å; F1870-W1874 AromaticContact CZ-CD2 3.98Å; F1870-W1874 HydrophobicContact CZ-CD2 3.98Å; F1870-W1874 AromaticContact CZ-CE3 3.67Å; F1870-W1874 HydrophobicContact CZ-CE3 3.67Å; F1870-W1874 HydrophobicContact CZ-CG 4.35Å; F1870-W1874 HydrophobicContact CZ-CZ3 4.23Å; F1870-W1874 WeakPolarHBondContact O-CB 3.44Å; F1870-W1874 PolarHBondContact O-N 3Å; W1874-V1878 HydrophobicContact CD2-CB 4.44Å; W1874-V1878 HydrophobicContact CD2-CG1 4.42Å; W1874-V1878 HydrophobicContact CE3-CB 4.29Å; W1874-V1878 HydrophobicContact CE3-CG1 4.1Å; W1874-V1878 HydrophobicContact CE3-CG2 4.39Å; W1874-V1878 HydrophobicContact CH2-CG1 4.46Å; W1874-V1878 HydrophobicContact CZ3-CG1 4.12Å; W1874-V1878 PolarHBondContact O-N 2.8Å; W1874-L1879 VanDerWaalsContact O-CB 3.24Å; W1874-L1879 WeakPolarHBondContact O-CB 3.43Å; W1874-L1879 PolarHBondContact O-N 3.21Å
1875V84.2Confident84.7Confident8 Ų854.5 Ų54.55%0.04827%0.267CS..Iπ-helixtrans-76.6-37.6-174.2175.40000113L1871 P1880 Y1897L1871-V1875 HydrophobicContact CG-CG2 4.27Å; L1871-V1875 WeakPolarHBondContact O-CB 3.12Å; L1871-V1875 WeakPolarHBondContact O-CG2 3.29Å; L1871-V1875 PolarHBondContact O-N 3.46Å; V1875-P1880 WeakPolarHBondContact O-CD 3.22Å; V1875-P1880 WeakPolarHBondContact O-CG 3.39Å; V1875-Y1897 HydrophobicContact CG1-CD2 4.37Å
1876F83.3Confident84Confident29 Ų2953.2 Ų53.213%0.12726%0.261CS..Iπ-helixtrans-96.7-22.7-175.1-62.2-65.5000114.7Q1586 L1595 H1872 A1887 Y1897Q1586-F1876 HydrophobicContact CG-CE1 4.31Å; Q1586-F1876 HydrophobicContact CG-CE2 4.06Å; Q1586-F1876 HydrophobicContact CG-CZ 3.6Å; L1595-F1876 HydrophobicContact CD1-CD2 4.07Å; L1595-F1876 HydrophobicContact CD1-CE2 4.31Å; H1872-F1876 HydrophobicContact CB-CD2 4.47Å; H1872-F1876 AromaticContact CD2-CE2 3.89Å; H1872-F1876 WeakPolarHBondContact O-CB 3.45Å; H1872-F1876 WeakPolarHBondContact O-CD2 3.31Å; H1872-F1876 PolarHBondContact O-N 3.42Å; H1872-F1876 VanDerWaalsContact O-N 3.16Å; F1876-A1887 HydrophobicContact CD1-CB 4.15Å; F1876-A1887 HydrophobicContact CE1-CB 4.48Å; F1876-Y1897 AromaticContact CE2-CD2 3.92Å; F1876-Y1897 HydrophobicContact CE2-CD2 3.92Å; F1876-Y1897 AromaticContact CE2-CE2 3.41Å; F1876-Y1897 HydrophobicContact CE2-CE2 3.41Å; F1876-Y1897 VanDerWaalsContact CE2-CE2 3.41Å; F1876-Y1897 AromaticContact CE2-CZ 3.84Å; F1876-Y1897 AromaticContact CZ-CD2 3.99Å; F1876-Y1897 HydrophobicContact CZ-CD2 3.99Å; F1876-Y1897 HydrophobicContact CZ-CE1 4.31Å; F1876-Y1897 AromaticContact CZ-CE2 3.75Å; F1876-Y1897 HydrophobicContact CZ-CE2 3.75Å; F1876-Y1897 HydrophobicContact CZ-CG 4.45Å; F1876-Y1897 AromaticContact CZ-CZ 3.91Å
1877L83.9Confident83.1Confident65 Ų6548.5 Ų48.534%0.3424%0.239SC..Iπ-helixtrans-115.3-53.7-178-55.8174.1000112.7L1660 I1873 N1881L1660-L1877 HydrophobicContact CD1-CD2 4.08Å; I1873-L1877 WeakPolarHBondContact O-CB 3.45Å; I1873-L1877 PolarHBondContact O-N 3.49Å; I1873-L1877 VanDerWaalsContact O-N 3.07Å; L1877-N1881 WeakPolarHBondContact O-CB 3.49Å; L1877-N1881 PolarHBondContact O-N 3.44Å
1878V85.5Confident82.5Confident43 Ų4348.8 Ų48.826%0.26124%0.24SC..Iπ-helixtrans-72.9-52.3-173.3-177.50000111.8I1873 W1874 N1881 M1882I1873-V1878 HydrophobicContact CG2-CG2 4.2Å; I1873-V1878 PolarHBondContact O-N 3.08Å; I1873-V1878 VanDerWaalsContact O-N 3.09Å; W1874-V1878 HydrophobicContact CD2-CB 4.44Å; W1874-V1878 HydrophobicContact CD2-CG1 4.42Å; W1874-V1878 HydrophobicContact CE3-CB 4.29Å; W1874-V1878 HydrophobicContact CE3-CG1 4.1Å; W1874-V1878 HydrophobicContact CE3-CG2 4.39Å; W1874-V1878 HydrophobicContact CH2-CG1 4.46Å; W1874-V1878 HydrophobicContact CZ3-CG1 4.12Å; W1874-V1878 PolarHBondContact O-N 2.8Å; V1878-N1881 PolarHBondContact O-N 3.2Å; V1878-M1882 HydrophobicContact CG1-CG 4.26Å; V1878-M1882 HydrophobicContact CG1-SD 3.86Å; V1878-M1882 WeakPolarHBondContact O-CG 3.08Å; V1878-M1882 PolarHBondContact O-N 2.7Å
1879L82.1Confident81.9Confident5 Ų551.8 Ų51.83%0.02626%0.261CS..Hα-helixtrans-63.5-42.2-175.1-173.771.1000113.1F1813 W1874 M1882 T1883 A1893F1813-L1879 HydrophobicContact CD1-CD1 4.06Å; F1813-L1879 HydrophobicContact CD1-CD2 4.21Å; F1813-L1879 HydrophobicContact CE1-CD2 4.27Å; W1874-L1879 VanDerWaalsContact O-CB 3.24Å; W1874-L1879 WeakPolarHBondContact O-CB 3.43Å; W1874-L1879 PolarHBondContact O-N 3.21Å; L1879-M1882 PolarHBondContact O-N 3.13Å; L1879-T1883 HydrophobicContact CD1-CG2 3.74Å; L1879-T1883 HydrophobicContact CG-CG2 4.24Å; L1879-T1883 WeakPolarHBondContact O-CB 3.31Å; L1879-T1883 WeakPolarHBondContact O-CG2 3.41Å; L1879-T1883 PolarHBondContact O-N 2.94Å; L1879-T1883 PolarHBondContact O-OG1 3.45Å; L1879-A1893 HydrophobicContact CD2-CB 3.76Å
1880P81.9Confident81.6Confident7 Ų750 Ų505%0.04525%0.245CC..Hα-helixtrans-67.2-36.2177.3-23.837.8000112.8P1654 V1875 R1884 R1885 A1887P1654-P1880 HydrophobicContact CB-CB 4.07Å; P1654-P1880 WeakPolarHBondContact CG-O 3.19Å; V1875-P1880 WeakPolarHBondContact O-CD 3.22Å; V1875-P1880 WeakPolarHBondContact O-CG 3.39Å; P1880-R1884 VanDerWaalsContact O-CA 3.29Å; P1880-R1884 WeakPolarHBondContact O-CA 3.27Å; P1880-R1884 PolarHBondContact O-N 3.41Å; P1880-R1885 VanDerWaalsContact CA-O 3.3Å; P1880-R1885 WeakPolarHBondContact CA-O 3.38Å; P1880-R1885 WeakPolarHBondContact CB-O 3.4Å; P1880-A1887 HydrophobicContact CG-CB 4.21Å
1881N83.5Confident81.4Confident76 Ų7651.1 Ų51.141%0.40625%0.252SS..Hα-helixtrans-65.9-46175.6-171.831.1000111.6L1877 V1878L1877-N1881 WeakPolarHBondContact O-CB 3.49Å; L1877-N1881 PolarHBondContact O-N 3.44Å; V1878-N1881 PolarHBondContact O-N 3.2Å
1882M82.4Confident81.3Confident93 Ų9352.1 Ų52.146%0.45826%0.259SS..Hα-helixtrans-70.3-36.6179.2-70.3-171.479.400114T1833 V1878 L1879T1833-M1882 HydrophobicContact CG2-CB 4.49Å; T1833-M1882 HydrophobicContact CG2-CE 3.84Å; T1833-M1882 HydrophobicContact CG2-SD 4.06Å; V1878-M1882 HydrophobicContact CG1-CG 4.26Å; V1878-M1882 HydrophobicContact CG1-SD 3.86Å; V1878-M1882 WeakPolarHBondContact O-CG 3.08Å; V1878-M1882 PolarHBondContact O-N 2.7Å; L1879-M1882 PolarHBondContact O-N 3.13Å
1883T78.2Confident81.2Confident9 Ų951.6 Ų51.66%0.05526%0.257CS..Hα-helixtrans-94-7.2-176.560.30000114F1813 L1879 R1885F1813-T1883 WeakPolarHBondContact O-CG2 3.37Å; L1879-T1883 HydrophobicContact CD1-CG2 3.74Å; L1879-T1883 HydrophobicContact CG-CG2 4.24Å; L1879-T1883 WeakPolarHBondContact O-CB 3.31Å; L1879-T1883 WeakPolarHBondContact O-CG2 3.41Å; L1879-T1883 PolarHBondContact O-N 2.94Å; L1879-T1883 PolarHBondContact O-OG1 3.45Å; T1883-R1885 PolarHBondContact O-N 3.44Å; T1883-R1885 PolarHBondContact OG1-N 3.34Å
1884R78.1Confident81.1Confident160 Ų16048.3 Ų48.360%0.60424%0.239SC*.SBendtrans52.217.9-168.4-59.5-62.3-174164.3-0.6114.6P1880P1880-R1884 VanDerWaalsContact O-CA 3.29Å; P1880-R1884 WeakPolarHBondContact O-CA 3.27Å; P1880-R1884 PolarHBondContact O-N 3.41Å
1885R74.8Confident81.1Confident111 Ų11147.8 Ų47.842%0.41925%0.245SC..SBendtrans-113127177.4-69.8-179.9179.5-174.5-0.6109.8P1880 T1883P1880-R1885 VanDerWaalsContact CA-O 3.3Å; P1880-R1885 WeakPolarHBondContact CA-O 3.38Å; P1880-R1885 WeakPolarHBondContact CB-O 3.4Å; T1883-R1885 PolarHBondContact O-N 3.44Å; T1883-R1885 PolarHBondContact OG1-N 3.34Å
1886S73.1Confident81.3Confident40 Ų4048.1 Ų48.128%0.2825%0.246SC..  trans-57.2145.1174.5730000111.1I1888 S1889 N1890S1886-I1888 PolarHBondContact O-N 2.94Å; S1886-S1889 PolarHBondContact N-OG 3.38Å; S1886-S1889 PolarHBondContact O-N 3.11Å; S1886-S1889 PolarHBondContact O-OG 2.89Å; S1886-S1889 PolarHBondContact OG-N 2.97Å; S1886-S1889 PolarHBondContact OG-OG 3.41Å; S1886-S1889 VanDerWaalsContact OG-OG 3.14Å; S1886-N1890 PolarHBondContact O-N 3.24Å
1887A73.3Confident81.6Confident15 Ų1546.8 Ų46.812%0.12424%0.24CC..G310 helixtrans-56.3-26.6176.500000112.6F1876 P1880 S1889 N1890 Q1894F1876-A1887 HydrophobicContact CD1-CB 4.15Å; F1876-A1887 HydrophobicContact CE1-CB 4.48Å; P1880-A1887 HydrophobicContact CG-CB 4.21Å; A1887-S1889 VanDerWaalsContact C-N 3.34Å; A1887-N1890 PolarHBondContact O-N 3.43Å; A1887-Q1894 PolarHBondContact O-NE2 2.99Å
1888I76.3Confident81.9Confident39 Ų3945 Ų4520%0.223%0.232CC..G310 helixtrans-73.6-23.9178.6-53.3166.8000112.1T1589 S1886 Q1894T1589-I1888 WeakPolarHBondContact O-CD1 3.31Å; S1886-I1888 PolarHBondContact O-N 2.94Å; I1888-Q1894 VanDerWaalsContact CA-NE2 3.3Å; I1888-Q1894 PolarHBondContact O-NE2 3.09Å
1889S77.6Confident82.2Confident63 Ų6345 Ų4544%0.44123%0.23SC..G310 helixtrans-89.3-11.3173.158.30000114.3S1886 A1887S1886-S1889 PolarHBondContact N-OG 3.38Å; S1886-S1889 PolarHBondContact O-N 3.11Å; S1886-S1889 PolarHBondContact O-OG 2.89Å; S1886-S1889 PolarHBondContact OG-N 2.97Å; S1886-S1889 PolarHBondContact OG-OG 3.41Å; S1886-S1889 VanDerWaalsContact OG-OG 3.14Å; A1887-S1889 VanDerWaalsContact C-N 3.34Å
1890N80.9Confident82.6Confident8 Ų844.9 Ų44.94%0.04323%0.23CC..  trans-103.386.3-174.7-167.4-24.9000112A1812 S1886 A1887 V1892 A1893 Q1894A1812-N1890 PolarHBondContact O-ND2 3.05Å; S1886-N1890 PolarHBondContact O-N 3.24Å; A1887-N1890 PolarHBondContact O-N 3.43Å; N1890-V1892 PolarHBondContact O-N 3.44Å; N1890-V1892 PolarHBondContact OD1-N 2.97Å; N1890-A1893 HydrophobicContact CB-CB 3.97Å; N1890-A1893 PolarHBondContact O-N 2.95Å; N1890-A1893 VanDerWaalsContact O-N 3.15Å; N1890-A1893 PolarHBondContact OD1-N 3.19Å; N1890-A1893 VanDerWaalsContact OD1-N 3.12Å; N1890-Q1894 WeakPolarHBondContact O-CG 3.38Å; N1890-Q1894 PolarHBondContact O-N 3.34Å
1891H83.6Confident82.9Confident137 Ų13744.6 Ų44.663%0.63423%0.227SC*.Hα-helixtrans-59.9-28.3-178.7-62.4-48.7000114.7Q1894 A1895H1891-Q1894 PolarHBondContact ND1-OE1 3.04Å; H1891-A1895 WeakPolarHBondContact O-CB 3.41Å; H1891-A1895 PolarHBondContact O-N 3.32Å
1892V85.5Confident83.2Confident33 Ų3343.2 Ų43.220%0.222%0.223CC..Hα-helixtrans-70.9-45176.1-179.70000110.3I1805 A1812 F1813 N1890 Q1894 A1895 L1896I1805-V1892 HydrophobicContact CG2-CG1 4.04Å; A1812-V1892 HydrophobicContact CB-CB 3.75Å; A1812-V1892 HydrophobicContact CB-CG1 4.44Å; A1812-V1892 HydrophobicContact CB-CG2 3.52Å; F1813-V1892 HydrophobicContact CE2-CG1 3.59Å; F1813-V1892 HydrophobicContact CZ-CB 4.5Å; F1813-V1892 HydrophobicContact CZ-CG1 3.59Å; N1890-V1892 PolarHBondContact O-N 3.44Å; N1890-V1892 PolarHBondContact OD1-N 2.97Å; V1892-Q1894 VanDerWaalsContact C-N 3.3Å; V1892-Q1894 PolarHBondContact O-N 3.01Å; V1892-A1895 PolarHBondContact O-N 3.35Å; V1892-L1896 WeakPolarHBondContact O-CB 3.38Å; V1892-L1896 PolarHBondContact O-N 2.86Å
1893A82.9Confident83.7Confident3 Ų338.8 Ų38.83%0.02520%0.201CC..Hα-helixtrans-63.2-36.6174.800000112L1879 N1890 Y1897L1879-A1893 HydrophobicContact CD2-CB 3.76Å; N1890-A1893 HydrophobicContact CB-CB 3.97Å; N1890-A1893 PolarHBondContact O-N 2.95Å; N1890-A1893 VanDerWaalsContact O-N 3.15Å; N1890-A1893 PolarHBondContact OD1-N 3.19Å; N1890-A1893 VanDerWaalsContact OD1-N 3.12Å; A1893-Y1897 WeakPolarHBondContact O-CB 3.19Å; A1893-Y1897 PolarHBondContact O-N 2.97Å
1894Q86.2Confident84.3Confident24 Ų2438.3 Ų38.311%0.11220%0.199CC..Hα-helixtrans-61.7-51.8172.6-67.8164.59.400111.7V1587 A1887 I1888 N1890 H1891 V1892 L1896 Y1897 V1898V1587-Q1894 HydrophobicContact CG1-CB 3.78Å; V1587-Q1894 HydrophobicContact CG1-CG 3.81Å; A1887-Q1894 PolarHBondContact O-NE2 2.99Å; I1888-Q1894 VanDerWaalsContact CA-NE2 3.3Å; I1888-Q1894 PolarHBondContact O-NE2 3.09Å; N1890-Q1894 WeakPolarHBondContact O-CG 3.38Å; N1890-Q1894 PolarHBondContact O-N 3.34Å; H1891-Q1894 PolarHBondContact ND1-OE1 3.04Å; V1892-Q1894 VanDerWaalsContact C-N 3.3Å; V1892-Q1894 PolarHBondContact O-N 3.01Å; Q1894-L1896 VanDerWaalsContact C-N 3.29Å; Q1894-L1896 PolarHBondContact O-N 3.29Å; Q1894-Y1897 PolarHBondContact O-N 3.4Å; Q1894-V1898 VanDerWaalsContact O-CG2 3.31Å; Q1894-V1898 WeakPolarHBondContact O-CG2 3.46Å; Q1894-V1898 PolarHBondContact O-N 3.17Å
1895A86.5Confident84.8Confident35 Ų3532 Ų3229%0.28918%0.176SC..Hα-helixtrans-58.5-42.3178.700000111.8I1805 H1891 V1892 V1898 I1899I1805-A1895 HydrophobicContact CG2-CB 4.46Å; H1891-A1895 WeakPolarHBondContact O-CB 3.41Å; H1891-A1895 PolarHBondContact O-N 3.32Å; V1892-A1895 PolarHBondContact O-N 3.35Å; A1895-V1898 PolarHBondContact O-N 3.29Å; A1895-I1899 WeakPolarHBondContact O-CB 3.4Å; A1895-I1899 WeakPolarHBondContact O-CG1 3.49Å; A1895-I1899 PolarHBondContact O-N 3.26Å
1896L88.7Confident85.4Confident15 Ų1527.8 Ų27.88%0.07916%0.163CC..Hα-helixtrans-61.5-48.1174.8-173.3155.6000111.8M1806 F1813 M1837 L1871 V1892 Q1894 V1898 I1899 K1900M1806-L1896 HydrophobicContact CG-CD1 3.48Å; M1806-L1896 VanDerWaalsContact CG-CD1 3.48Å; M1806-L1896 HydrophobicContact SD-CD1 3.98Å; F1813-L1896 HydrophobicContact CZ-CD1 4.26Å; M1837-L1896 HydrophobicContact CE-CD1 3.62Å; L1871-L1896 HydrophobicContact CD1-CD2 4.36Å; V1892-L1896 WeakPolarHBondContact O-CB 3.38Å; V1892-L1896 PolarHBondContact O-N 2.86Å; Q1894-L1896 VanDerWaalsContact C-N 3.29Å; Q1894-L1896 PolarHBondContact O-N 3.29Å; L1896-V1898 VanDerWaalsContact C-N 3.35Å; L1896-V1898 PolarHBondContact O-N 3.1Å; L1896-I1899 PolarHBondContact O-N 3.46Å; L1896-K1900 VanDerWaalsContact O-CB 3.25Å; L1896-K1900 WeakPolarHBondContact O-CB 3.32Å; L1896-K1900 PolarHBondContact O-N 2.63Å
1897Y89.4Confident86.2Confident2 Ų225.9 Ų25.91%0.00815%0.15CC..Hα-helixtrans-59.8-43.3178178.8-88.6000111.9I1583 V1587 L1871 H1872 V1875 F1876 A1893 Q1894 S1901I1583-Y1897 HydrophobicContact CG2-CD1 4.42Å; I1583-Y1897 HydrophobicContact CG2-CE1 3.97Å; V1587-Y1897 HydrophobicContact CG2-CD1 3.44Å; V1587-Y1897 VanDerWaalsContact CG2-CD1 3.44Å; V1587-Y1897 HydrophobicContact CG2-CE1 3.79Å; L1871-Y1897 HydrophobicContact CD2-CD2 3.34Å; L1871-Y1897 HydrophobicContact CD2-CE2 3.52Å; L1871-Y1897 HydrophobicContact CD2-CG 4.4Å; L1871-Y1897 HydrophobicContact CG-CD2 4.5Å; H1872-Y1897 AromaticContact CD2-CE2 3.87Å; H1872-Y1897 AromaticContact NE2-CE2 3.61Å; H1872-Y1897 AromaticContact NE2-CZ 3.61Å; H1872-Y1897 PolarHBondContact NE2-OH 2.94Å; V1875-Y1897 HydrophobicContact CG1-CD2 4.37Å; F1876-Y1897 AromaticContact CE2-CD2 3.92Å; F1876-Y1897 HydrophobicContact CE2-CD2 3.92Å; F1876-Y1897 AromaticContact CE2-CE2 3.41Å; F1876-Y1897 HydrophobicContact CE2-CE2 3.41Å; F1876-Y1897 VanDerWaalsContact CE2-CE2 3.41Å; F1876-Y1897 AromaticContact CE2-CZ 3.84Å; F1876-Y1897 AromaticContact CZ-CD2 3.99Å; F1876-Y1897 HydrophobicContact CZ-CD2 3.99Å; F1876-Y1897 HydrophobicContact CZ-CE1 4.31Å; F1876-Y1897 AromaticContact CZ-CE2 3.75Å; F1876-Y1897 HydrophobicContact CZ-CE2 3.75Å; F1876-Y1897 HydrophobicContact CZ-CG 4.45Å; F1876-Y1897 AromaticContact CZ-CZ 3.91Å; A1893-Y1897 WeakPolarHBondContact O-CB 3.19Å; A1893-Y1897 PolarHBondContact O-N 2.97Å; Q1894-Y1897 PolarHBondContact O-N 3.4Å; Y1897-S1901 VanDerWaalsContact O-CB 3.22Å; Y1897-S1901 WeakPolarHBondContact O-CB 3.48Å; Y1897-S1901 PolarHBondContact O-N 2.99Å; Y1897-S1901 PolarHBondContact O-OG 2.7Å
1898V89.3Confident86.9Confident27 Ų2725.2 Ų25.216%0.16414%0.144CC..Hα-helixtrans-64-50.2178.8174.40000111.4M1584 V1587 Q1894 A1895 L1896 S1901 C1902M1584-V1898 HydrophobicContact CE-CB 4.21Å; M1584-V1898 HydrophobicContact CE-CG1 3.86Å; M1584-V1898 HydrophobicContact CE-CG2 3.22Å; V1587-V1898 HydrophobicContact CG1-CG2 4.31Å; V1587-V1898 HydrophobicContact CG2-CG2 3.62Å; Q1894-V1898 VanDerWaalsContact O-CG2 3.31Å; Q1894-V1898 WeakPolarHBondContact O-CG2 3.46Å; Q1894-V1898 PolarHBondContact O-N 3.17Å; A1895-V1898 PolarHBondContact O-N 3.29Å; L1896-V1898 VanDerWaalsContact C-N 3.35Å; L1896-V1898 PolarHBondContact O-N 3.1Å; V1898-S1901 WeakPolarHBondContact O-CB 3.41Å; V1898-S1901 PolarHBondContact O-N 2.91Å; V1898-C1902 PolarHBondContact O-N 3.14Å; V1898-C1902 PolarHBondContact O-SG 2.87Å
1899I91.1Very high87.3Confident44 Ų4427 Ų2723%0.22615%0.149CC..Hα-helixtrans-71.8-36.9-174.2-68.4166.6000110.6I1798 I1801 I1805 A1895 L1896 S1901 C1902 Y1903I1798-I1899 HydrophobicContact CG2-CG2 3.59Å; I1798-I1899 VanDerWaalsContact CG2-O 3.26Å; I1798-I1899 WeakPolarHBondContact CG2-O 3.49Å; I1801-I1899 HydrophobicContact CG2-CD1 4.12Å; I1801-I1899 HydrophobicContact CG2-CG2 4.09Å; I1805-I1899 HydrophobicContact CD1-CD1 3.26Å; A1895-I1899 WeakPolarHBondContact O-CB 3.4Å; A1895-I1899 WeakPolarHBondContact O-CG1 3.49Å; A1895-I1899 PolarHBondContact O-N 3.26Å; L1896-I1899 PolarHBondContact O-N 3.46Å; I1899-S1901 VanDerWaalsContact C-N 3.32Å; I1899-S1901 PolarHBondContact O-N 3.01Å; I1899-C1902 WeakPolarHBondContact O-CB 3.48Å; I1899-C1902 PolarHBondContact O-N 3.42Å; I1899-Y1903 PolarHBondContact O-N 3.02Å
1900K90.7Very high87.8Confident2 Ų224 Ų241%0.00913%0.128CC..Hα-helixtrans-71.4-26.6172.1-160.759.4169.8165.30112.3D1799 L1871 L1896 Y1903 F1904D1799-K1900 WeakPolarHBondContact OD1-CD 3.45Å; D1799-K1900 IonicContact OD1-NZ 2.76Å; D1799-K1900 PolarHBondContact OD1-NZ 3.35Å; D1799-K1900 IonicContact OD2-NZ 3.8Å; D1799-K1900 PolarHBondContact OD2-NZ 2.87Å; L1871-K1900 HydrophobicContact CD1-CB 3.69Å; L1871-K1900 HydrophobicContact CD1-CG 3.43Å; L1871-K1900 VanDerWaalsContact CD1-CG 3.43Å; L1896-K1900 VanDerWaalsContact O-CB 3.25Å; L1896-K1900 WeakPolarHBondContact O-CB 3.32Å; L1896-K1900 PolarHBondContact O-N 2.63Å; K1900-Y1903 HydrophobicContact CD-CD1 3.93Å; K1900-Y1903 HydrophobicContact CD-CG 4.05Å; K1900-Y1903 WeakPolarHBondContact O-CB 3.41Å; K1900-Y1903 PolarHBondContact O-N 2.86Å; K1900-F1904 HydrophobicContact CG-CE2 4.06Å; K1900-F1904 HydrophobicContact CG-CZ 4.05Å; K1900-F1904 WeakPolarHBondContact O-CD2 3.07Å; K1900-F1904 WeakPolarHBondContact O-CG 3.44Å; K1900-F1904 PolarHBondContact O-N 2.69Å
1901S89.8Confident88Confident0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-68.4-37.6167.4-61.40000112.3Y1897 V1898 I1899 Y1903 F1904 L1905Y1897-S1901 VanDerWaalsContact O-CB 3.22Å; Y1897-S1901 WeakPolarHBondContact O-CB 3.48Å; Y1897-S1901 PolarHBondContact O-N 2.99Å; Y1897-S1901 PolarHBondContact O-OG 2.7Å; V1898-S1901 WeakPolarHBondContact O-CB 3.41Å; V1898-S1901 PolarHBondContact O-N 2.91Å; I1899-S1901 VanDerWaalsContact C-N 3.32Å; I1899-S1901 PolarHBondContact O-N 3.01Å; S1901-Y1903 VanDerWaalsContact C-N 3.34Å; S1901-F1904 PolarHBondContact O-N 3.4Å; S1901-L1905 WeakPolarHBondContact O-CG 3Å; S1901-L1905 PolarHBondContact O-N 3.26Å
1902C89Confident87.9Confident47 Ų4720.1 Ų20.132%0.31811%0.107SC..Hα-helixtrans-61.9-40.9169.4-67.30000111.7V1898 I1899 F1904 L1905 V1906V1898-C1902 PolarHBondContact O-N 3.14Å; V1898-C1902 PolarHBondContact O-SG 2.87Å; I1899-C1902 WeakPolarHBondContact O-CB 3.48Å; I1899-C1902 PolarHBondContact O-N 3.42Å; C1902-F1904 VanDerWaalsContact C-N 3.35Å; C1902-F1904 PolarHBondContact O-N 2.97Å; C1902-L1905 PolarHBondContact O-N 2.88Å; C1902-V1906 WeakPolarHBondContact O-CG2 3.45Å; C1902-V1906 PolarHBondContact O-N 3.37Å
1903Y91.8Very high87.6Confident0 Ų018.9 Ų18.90%010%0.099CC..Hα-helixtrans-57.3-45.1170.2168.7-84.6000111.6M1795 D1799 D1848 K1860 Y1863 I1899 K1900 S1901 L1905 V1906 S1907M1795-Y1903 HydrophobicContact CB-CD2 4.1Å; M1795-Y1903 HydrophobicContact CB-CE2 3.88Å; M1795-Y1903 HydrophobicContact CE-CE2 4.17Å; M1795-Y1903 HydrophobicContact CG-CE2 4.48Å; D1799-Y1903 WeakPolarHBondContact OD2-CE2 3.49Å; D1848-Y1903 VanDerWaalsContact CG-OH 3.32Å; D1848-Y1903 WeakPolarHBondContact OD2-CE2 3.37Å; D1848-Y1903 PolarHBondContact OD2-OH 3.07Å; K1860-Y1903 PolarHBondContact NZ-OH 2.97Å; Y1863-Y1903 HydrophobicContact CE1-CE1 4.4Å; Y1863-Y1903 WeakPolarHBondContact CE1-OH 3.16Å; I1899-Y1903 PolarHBondContact O-N 3.02Å; K1900-Y1903 HydrophobicContact CD-CD1 3.93Å; K1900-Y1903 HydrophobicContact CD-CG 4.05Å; K1900-Y1903 WeakPolarHBondContact O-CB 3.41Å; K1900-Y1903 PolarHBondContact O-N 2.86Å; S1901-Y1903 VanDerWaalsContact C-N 3.34Å; Y1903-L1905 VanDerWaalsContact C-N 3.34Å; Y1903-L1905 PolarHBondContact O-N 2.72Å; Y1903-V1906 PolarHBondContact O-N 3.49Å; Y1903-S1907 WeakPolarHBondContact O-CB 3.39Å; Y1903-S1907 PolarHBondContact O-N 3.15Å
1904F91Very high87.3Confident0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-66.1-32.5176.9-63.2-45.5000113.4L1602 Q1864 M1867 I1868 L1871 K1900 S1901 C1902 A1908L1602-F1904 HydrophobicContact CD2-CB 3.85Å; Q1864-F1904 HydrophobicContact CG-CD1 4.47Å; Q1864-F1904 PolarHBondContact NE2-O 3.18Å; M1867-F1904 HydrophobicContact CB-CE1 3.69Å; M1867-F1904 HydrophobicContact CB-CZ 3.87Å; I1868-F1904 HydrophobicContact CD1-CB 4.32Å; I1868-F1904 HydrophobicContact CD1-CD1 4.35Å; I1868-F1904 HydrophobicContact CD1-CG 4.17Å; I1868-F1904 HydrophobicContact CG1-CB 4.34Å; I1868-F1904 HydrophobicContact CG1-CD1 3.8Å; I1868-F1904 HydrophobicContact CG1-CD2 3.67Å; I1868-F1904 HydrophobicContact CG1-CE1 3.94Å; I1868-F1904 HydrophobicContact CG1-CE2 3.8Å; I1868-F1904 HydrophobicContact CG1-CG 3.68Å; I1868-F1904 HydrophobicContact CG1-CZ 3.95Å; L1871-F1904 HydrophobicContact CB-CE2 4.39Å; L1871-F1904 HydrophobicContact CD1-CE2 4.09Å; L1871-F1904 HydrophobicContact CD1-CZ 4.43Å; L1871-F1904 HydrophobicContact CD2-CE2 4.27Å; K1900-F1904 HydrophobicContact CG-CE2 4.06Å; K1900-F1904 HydrophobicContact CG-CZ 4.05Å; K1900-F1904 WeakPolarHBondContact O-CD2 3.07Å; K1900-F1904 WeakPolarHBondContact O-CG 3.44Å; K1900-F1904 PolarHBondContact O-N 2.69Å; S1901-F1904 PolarHBondContact O-N 3.4Å; C1902-F1904 VanDerWaalsContact C-N 3.35Å; C1902-F1904 PolarHBondContact O-N 2.97Å; F1904-A1908 VanDerWaalsContact O-CB 3.3Å; F1904-A1908 WeakPolarHBondContact O-CB 3.49Å; F1904-A1908 PolarHBondContact O-N 3.19Å
1905L88.5Confident86.9Confident26 Ų2618.5 Ų18.514%0.13610%0.097CC..Hα-helixtrans-67.7-44.1172.2-72.7172.5000112Y1579 I1583 L1602 N1606 S1901 C1902 Y1903 A1908 W1909Y1579-L1905 HydrophobicContact CD2-CD2 4.4Å; I1583-L1905 HydrophobicContact CD1-CD1 3.87Å; L1602-L1905 HydrophobicContact CD2-CD2 3.88Å; L1602-L1905 HydrophobicContact CD2-CG 4.01Å; N1606-L1905 HydrophobicContact CB-CD2 4.19Å; N1606-L1905 PolarHBondContact ND2-O 3.18Å; S1901-L1905 WeakPolarHBondContact O-CG 3Å; S1901-L1905 PolarHBondContact O-N 3.26Å; C1902-L1905 PolarHBondContact O-N 2.88Å; Y1903-L1905 VanDerWaalsContact C-N 3.34Å; Y1903-L1905 PolarHBondContact O-N 2.72Å; L1905-A1908 PolarHBondContact O-N 3.04Å; L1905-W1909 WeakPolarHBondContact O-CB 3.41Å; L1905-W1909 PolarHBondContact O-N 3.21Å
1906V88.4Confident86.3Confident24 Ų2417.6 Ų17.615%0.1459%0.088CC..Hα-helixtrans-67.8-38.7175.9179.50000111L1791 I1794 M1795 I1798 C1902 Y1903 W1909 Q1910L1791-V1906 HydrophobicContact CB-CG1 3.75Å; L1791-V1906 HydrophobicContact CD1-CG1 4.23Å; L1791-V1906 HydrophobicContact CG-CG1 4.44Å; I1794-V1906 HydrophobicContact CB-CG1 4.41Å; I1794-V1906 HydrophobicContact CG2-CG1 4.22Å; I1794-V1906 HydrophobicContact CG2-CG2 4.37Å; M1795-V1906 HydrophobicContact CG-CB 4.25Å; M1795-V1906 HydrophobicContact CG-CG1 3.62Å; M1795-V1906 HydrophobicContact SD-CG1 4.44Å; I1798-V1906 HydrophobicContact CD1-CG2 4.01Å; C1902-V1906 WeakPolarHBondContact O-CG2 3.45Å; C1902-V1906 PolarHBondContact O-N 3.37Å; Y1903-V1906 PolarHBondContact O-N 3.49Å; V1906-W1909 WeakPolarHBondContact O-CB 3.43Å; V1906-W1909 PolarHBondContact O-N 3.49Å; V1906-Q1910 PolarHBondContact O-N 3.32Å
1907S89.4Confident85.2Confident0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-64.1-43.4175-179.30000112.1K1860 Q1864 Y1903 W1909 Q1910 I1911K1860-S1907 WeakPolarHBondContact CE-OG 3.46Å; Q1864-S1907 VanDerWaalsContact OE1-C 3.31Å; Q1864-S1907 PolarHBondContact OE1-OG 2.97Å; Y1903-S1907 WeakPolarHBondContact O-CB 3.39Å; Y1903-S1907 PolarHBondContact O-N 3.15Å; S1907-W1909 VanDerWaalsContact C-N 3.31Å; S1907-W1909 PolarHBondContact O-N 3.22Å; S1907-Q1910 WeakPolarHBondContact O-CB 3.21Å; S1907-Q1910 PolarHBondContact O-N 2.9Å; S1907-I1911 WeakPolarHBondContact O-CG1 3.36Å; S1907-I1911 PolarHBondContact O-N 3.48Å
1908A87.5Confident84.1Confident0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-62.9-38.1173.400000111.8N1606 L1607 F1904 L1905 I1911 R1912N1606-A1908 HydrophobicContact CB-CB 4.16Å; N1606-A1908 WeakPolarHBondContact ND2-CB 3.42Å; L1607-A1908 HydrophobicContact CD2-CB 3.87Å; L1607-A1908 HydrophobicContact CG-CB 4.22Å; F1904-A1908 VanDerWaalsContact O-CB 3.3Å; F1904-A1908 WeakPolarHBondContact O-CB 3.49Å; F1904-A1908 PolarHBondContact O-N 3.19Å; L1905-A1908 PolarHBondContact O-N 3.04Å; A1908-I1911 PolarHBondContact O-N 2.95Å; A1908-R1912 WeakPolarHBondContact O-CB 3.47Å; A1908-R1912 PolarHBondContact O-N 3.43Å
1909W85.9Confident82.8Confident77 Ų7723.8 Ų23.829%0.29212%0.118SC..Hα-helixtrans-65.4-39.4174-171.918.4000111.7L1791 L1905 V1906 S1907 R1912 N1913L1791-W1909 HydrophobicContact CD1-CB 3.91Å; L1791-W1909 HydrophobicContact CD1-CD2 3.51Å; L1791-W1909 HydrophobicContact CD1-CE3 3.51Å; L1791-W1909 HydrophobicContact CD1-CG 3.69Å; L1791-W1909 HydrophobicContact CD1-CZ3 4.24Å; L1791-W1909 HydrophobicContact CD2-CE3 3.93Å; L1791-W1909 HydrophobicContact CD2-CH2 4.3Å; L1791-W1909 HydrophobicContact CD2-CZ3 3.81Å; L1791-W1909 HydrophobicContact CG-CE3 4.4Å; L1905-W1909 WeakPolarHBondContact O-CB 3.41Å; L1905-W1909 PolarHBondContact O-N 3.21Å; V1906-W1909 WeakPolarHBondContact O-CB 3.43Å; V1906-W1909 PolarHBondContact O-N 3.49Å; S1907-W1909 VanDerWaalsContact C-N 3.31Å; S1907-W1909 PolarHBondContact O-N 3.22Å; W1909-R1912 VanDerWaalsContact CD1-NH2 3.34Å; W1909-R1912 PolarHBondContact O-N 2.74Å; W1909-N1913 PolarHBondContact NE1-ND2 3.11Å; W1909-N1913 VanDerWaalsContact NE1-ND2 3.1Å; W1909-N1913 PolarHBondContact NE1-OD1 3.25Å; W1909-N1913 WeakPolarHBondContact O-CB 3.22Å; W1909-N1913 PolarHBondContact O-N 2.9Å; W1909-N1913 PolarHBondContact O-ND2 3.37Å; W1909-N1913 PolarHBondContact O-OD1 3Å
1910Q87.1Confident81.2Confident1 Ų123.4 Ų23.41%0.00512%0.116CC..Hα-helixtrans-64.1-40.6173.6-17159.834.300112.1R1789 L1791 M1795 V1906 S1907 G1914 Y1915R1789-Q1910 PolarHBondContact O-NE2 3.14Å; R1789-Q1910 VanDerWaalsContact O-NE2 3.07Å; R1789-Q1910 PolarHBondContact O-OE1 2.88Å; R1789-Q1910 VanDerWaalsContact O-OE1 3.13Å; L1791-Q1910 HydrophobicContact CB-CB 4.48Å; L1791-Q1910 HydrophobicContact CD1-CB 4.26Å; M1795-Q1910 HydrophobicContact SD-CB 4.07Å; M1795-Q1910 HydrophobicContact SD-CG 4.3Å; V1906-Q1910 PolarHBondContact O-N 3.32Å; S1907-Q1910 WeakPolarHBondContact O-CB 3.21Å; S1907-Q1910 PolarHBondContact O-N 2.9Å; Q1910-G1914 PolarHBondContact NE2-O 2.84Å; Q1910-G1914 WeakPolarHBondContact O-CA 3.24Å; Q1910-G1914 PolarHBondContact O-N 3Å; Q1910-Y1915 HydrophobicContact CG-CD1 4.18Å; Q1910-Y1915 HydrophobicContact CG-CE1 3.67Å; Q1910-Y1915 VanDerWaalsContact NE2-CD1 3.34Å
1911I86.2Confident79.7Confident7 Ų725.3 Ų25.34%0.03614%0.136CC..Hα-helixtrans-64.6-44.3175.2-67.8166000110.7L1607 L1780 V1857 K1860 L1861 Q1864 S1907 A1908 N1913 G1914L1607-I1911 HydrophobicContact CD2-CB 4.25Å; L1607-I1911 HydrophobicContact CD2-CG2 4.06Å; L1780-I1911 HydrophobicContact CD1-CG2 4.28Å; L1780-I1911 HydrophobicContact CD2-CG2 4.26Å; L1780-I1911 HydrophobicContact CG-CG2 4.45Å; V1857-I1911 HydrophobicContact CG1-CG2 4.06Å; K1860-I1911 HydrophobicContact CB-CG1 4.42Å; K1860-I1911 HydrophobicContact CG-CD1 4.11Å; K1860-I1911 HydrophobicContact CG-CG1 3.92Å; L1861-I1911 HydrophobicContact CB-CD1 4.38Å; L1861-I1911 HydrophobicContact CD1-CD1 4.24Å; Q1864-I1911 HydrophobicContact CB-CD1 4.23Å; Q1864-I1911 VanDerWaalsContact OE1-CD1 3.24Å; S1907-I1911 WeakPolarHBondContact O-CG1 3.36Å; S1907-I1911 PolarHBondContact O-N 3.48Å; A1908-I1911 PolarHBondContact O-N 2.95Å; I1911-N1913 VanDerWaalsContact C-N 3.31Å; I1911-N1913 PolarHBondContact O-N 3.13Å; I1911-G1914 PolarHBondContact O-N 2.88Å
1912R80.9Confident78.5Confident56 Ų5626.6 Ų26.621%0.21114%0.143CC..Hα-helixtrans-62.4-35.7179.9-169.3-176.371.8-157.710.3113.2N1606 S1608 N1609 A1908 W1909N1606-R1912 PolarHBondContact O-NH1 2.9Å; N1606-R1912 PolarHBondContact OD1-NH1 3.47Å; S1608-R1912 VanDerWaalsContact O-CD 3.27Å; S1608-R1912 WeakPolarHBondContact O-CD 3.31Å; N1609-R1912 HydrophobicContact CB-CG 3.92Å; A1908-R1912 WeakPolarHBondContact O-CB 3.47Å; A1908-R1912 PolarHBondContact O-N 3.43Å; W1909-R1912 VanDerWaalsContact CD1-NH2 3.34Å; W1909-R1912 PolarHBondContact O-N 2.74Å
1913N78.7Confident77.2Confident6 Ų629.2 Ų29.23%0.03215%0.153CC..Hα-helixtrans-84-41.9179.2-64.8-6.9000111.6R1786 Y1787 W1909 I1911R1786-N1913 VanDerWaalsContact CG-O 3.31Å; R1786-N1913 WeakPolarHBondContact CG-O 3.5Å; R1786-N1913 PolarHBondContact NE-O 2.75Å; Y1787-N1913 VanDerWaalsContact O-CA 3.32Å; Y1787-N1913 WeakPolarHBondContact O-CA 3.4Å; Y1787-N1913 WeakPolarHBondContact O-CB 3.5Å; W1909-N1913 PolarHBondContact NE1-ND2 3.11Å; W1909-N1913 VanDerWaalsContact NE1-ND2 3.1Å; W1909-N1913 PolarHBondContact NE1-OD1 3.25Å; W1909-N1913 WeakPolarHBondContact O-CB 3.22Å; W1909-N1913 PolarHBondContact O-N 2.9Å; W1909-N1913 PolarHBondContact O-ND2 3.37Å; W1909-N1913 PolarHBondContact O-OD1 3Å; I1911-N1913 VanDerWaalsContact C-N 3.31Å; I1911-N1913 PolarHBondContact O-N 3.13Å
1914G78Confident76Confident1 Ų131.2 Ų31.21%0.0116%0.163CC..  trans90.1166.4-168.900000113.5Q1910 I1911Q1910-G1914 PolarHBondContact NE2-O 2.84Å; Q1910-G1914 WeakPolarHBondContact O-CA 3.24Å; Q1910-G1914 PolarHBondContact O-N 3Å; I1911-G1914 PolarHBondContact O-N 2.88Å
1915Y77.3Confident74.9Confident19 Ų1931.4 Ų31.48%0.07517%0.165CC..  trans-79.6146.4172.1-63.9-66.4000111.4Y1852 V1857 K1860 Q1910Y1852-Y1915 AromaticContact CD2-CD1 3.96Å; Y1852-Y1915 HydrophobicContact CD2-CD1 3.96Å; Y1852-Y1915 AromaticContact CD2-CE1 3.72Å; Y1852-Y1915 HydrophobicContact CD2-CE1 3.72Å; Y1852-Y1915 HydrophobicContact CE2-CD1 4.31Å; Y1852-Y1915 HydrophobicContact CE2-CE1 4.43Å; V1857-Y1915 HydrophobicContact CG2-CD2 3.81Å; V1857-Y1915 HydrophobicContact CG2-CE2 4.2Å; K1860-Y1915 WeakPolarHBondContact CG-OH 3.34Å; Q1910-Y1915 HydrophobicContact CG-CD1 4.18Å; Q1910-Y1915 HydrophobicContact CG-CE1 3.67Å; Q1910-Y1915 VanDerWaalsContact NE2-CD1 3.34Å
1916P73.5Confident73.7Confident16 Ų1632.8 Ų32.810%0.10417%0.17CC..  trans-68.1156.616932.1-36.3000111.1I1788 D1790 L1918I1788-P1916 HydrophobicContact CG2-CB 4.16Å; D1790-P1916 HydrophobicContact CB-CG 4.23Å; P1916-L1918 VanDerWaalsContact C-N 3.32Å; P1916-L1918 WeakPolarHBondContact CG-O 3.29Å; P1916-L1918 PolarHBondContact O-N 3.23Å
1917E66Low72.8Confident122 Ų12234.2 Ų34.257%0.5718%0.182SC*.SBendtrans-71.3-26.8179-70.5175.316000112.8Q1318 K1855Q1318-E1917 PolarHBondContact NE2-OE2 2.93Å; K1855-E1917 PolarHBondContact NZ-O 3.06Å
1918L65.1Low72.1Confident25 Ų2535.6 Ų35.613%0.13119%0.187CC..  trans-115.5138.3175.5-70.789.2000110.8F1322 I1325 P1916 E2366F1322-L1918 HydrophobicContact CD2-CD1 4.3Å; I1325-L1918 HydrophobicContact CD1-CD2 3.27Å; I1325-L1918 HydrophobicContact CG2-CD2 4.33Å; P1916-L1918 VanDerWaalsContact C-N 3.32Å; P1916-L1918 WeakPolarHBondContact CG-O 3.29Å; P1916-L1918 PolarHBondContact O-N 3.23Å; L1918-E2366 WeakPolarHBondContact CB-OE2 3.37Å; L1918-E2366 WeakPolarHBondContact CD2-OE2 3.26Å; L1918-E2366 WeakPolarHBondContact CG-OE2 3.31Å
1919C62.3Low71.4Confident26 Ų2636.8 Ų36.818%0.17620%0.2CC..  trans-127.729.8-175.5-72.70000112.5K1855 G1921 E2366K1855-C1919 VanDerWaalsContact CE-SG 3.52Å; C1919-G1921 PolarHBondContact O-N 2.63Å; C1919-E2366 PolarHBondContact N-OE1 2.75Å
1920I57.8Low70.8Confident37 Ų3737.3 Ų37.319%0.1921%0.206CC..  trans-76.8101.9-179.4-48.3-178.1000111.2F1382 L2363 E2366F1382-I1920 VanDerWaalsContact CE2-O 3.25Å; F1382-I1920 WeakPolarHBondContact CE2-O 3.3Å; F1382-I1920 VanDerWaalsContact CZ-O 3.29Å; F1382-I1920 WeakPolarHBondContact CZ-O 3.3Å; I1920-L2363 HydrophobicContact CD1-CB 4.44Å; I1920-E2366 HydrophobicContact CD1-CB 4.21Å; I1920-E2366 HydrophobicContact CD1-CG 3.96Å; I1920-E2366 WeakPolarHBondContact CD1-OE2 3.24Å; I1920-E2366 HydrophobicContact CG1-CG 3.74Å; I1920-E2366 WeakPolarHBondContact CG1-OE2 3.33Å
1921G59.6Low70.1Confident41 Ų4142.5 Ų42.542%0.42324%0.238SC..  trans149.9143.6162.300000114.3C1919C1919-G1921 PolarHBondContact O-N 2.63Å
1922N64Low69.8Low28 Ų2843.6 Ų43.615%0.1524%0.244CC..  trans-84.2133.5161.4178.43.4000107.4L1924 T1925 H1926 R1949N1922-L1924 PolarHBondContact O-N 3.44Å; N1922-L1924 VanDerWaalsContact O-N 3.08Å; N1922-L1924 PolarHBondContact OD1-N 2.89Å; N1922-T1925 HydrophobicContact CB-CG2 4.15Å; N1922-T1925 WeakPolarHBondContact O-CA 3.38Å; N1922-T1925 PolarHBondContact O-N 3.49Å; N1922-T1925 PolarHBondContact O-OG1 3.22Å; N1922-H1926 PolarHBondContact O-CD2 3.21Å; N1922-H1926 VanDerWaalsContact O-CD2 3.32Å; N1922-H1926 PolarHBondContact O-N 3.21Å; N1922-R1949 PolarHBondContact ND2-NH1 3.38Å
1923L62.9Low69.9Low101 Ų10142.3 Ų42.353%0.52924%0.241SC..G310 helixtrans-51.8-36.5175.7-175.366.5000111.8P1793 T1925P1793-L1923 HydrophobicContact CB-CB 3.9Å; P1793-L1923 HydrophobicContact CB-CD2 3.69Å; P1793-L1923 HydrophobicContact CB-CG 4.37Å; P1793-L1923 HydrophobicContact CG-CB 4.03Å; P1793-L1923 HydrophobicContact CG-CD2 4.41Å; L1923-T1925 PolarHBondContact O-N 3.02Å
1924L65.8Low70.2Confident42 Ų4246.1 Ų46.122%0.2226%0.26CS..G310 helixtrans-68.2-18.6177.7-56.5177.8000113.9N1922 N1932 A1935 F1936 F1939 F1977N1922-L1924 PolarHBondContact O-N 3.44Å; N1922-L1924 VanDerWaalsContact O-N 3.08Å; N1922-L1924 PolarHBondContact OD1-N 2.89Å; L1924-N1932 WeakPolarHBondContact O-CB 3.15Å; L1924-N1932 PolarHBondContact O-ND2 3.41Å; L1924-A1935 HydrophobicContact CD2-CB 3.77Å; L1924-F1936 HydrophobicContact CB-CB 4.45Å; L1924-F1936 HydrophobicContact CB-CD2 4.27Å; L1924-F1939 HydrophobicContact CD1-CB 3.75Å; L1924-F1939 HydrophobicContact CD1-CD2 3.93Å; L1924-F1939 HydrophobicContact CD1-CG 3.91Å; L1924-F1977 WeakPolarHBondContact O-CZ 3.39Å
1925T68.4Low70.2Confident4 Ų447.6 Ų47.63%0.02527%0.273CS..G310 helixtrans-109.42.5-178.868.60000114.8N1922 L1923 F1936 Y1973 F1977N1922-T1925 HydrophobicContact CB-CG2 4.15Å; N1922-T1925 WeakPolarHBondContact O-CA 3.38Å; N1922-T1925 PolarHBondContact O-N 3.49Å; N1922-T1925 PolarHBondContact O-OG1 3.22Å; L1923-T1925 PolarHBondContact O-N 3.02Å; T1925-F1936 HydrophobicContact CG2-CD2 3.75Å; T1925-F1936 HydrophobicContact CG2-CE2 3.68Å; T1925-F1936 HydrophobicContact CG2-CG 4.45Å; T1925-F1936 HydrophobicContact CG2-CZ 4.32Å; T1925-Y1973 WeakPolarHBondContact CB-OH 3.27Å; T1925-Y1973 HydrophobicContact CG2-CE1 4.13Å; T1925-Y1973 PolarHBondContact OG1-OH 3.31Å; T1925-F1977 VanDerWaalsContact CA-CE2 3.42Å; T1925-F1977 HydrophobicContact CG2-CD1 3.89Å; T1925-F1977 HydrophobicContact CG2-CD2 3.98Å; T1925-F1977 HydrophobicContact CG2-CE1 3.86Å; T1925-F1977 HydrophobicContact CG2-CE2 3.98Å; T1925-F1977 HydrophobicContact CG2-CG 3.95Å; T1925-F1977 HydrophobicContact CG2-CZ 3.92Å; T1925-F1977 WeakPolarHBondContact O-CE2 3.5Å
1926H64Low70.6Confident55 Ų5547 Ų4726%0.25527%0.271SS..SBendtrans-70.1-32.1175.9-92.2-76.3000114.3F1382 N1922F1382-H1926 AromaticContact CD2-CE1 3.88Å; F1382-H1926 AromaticContact CE2-CE1 3.49Å; F1382-H1926 VanDerWaalsContact CE2-CE1 3.49Å; F1382-H1926 WeakPolarHBondContact CE2-CE1 3.22Å; F1382-H1926 AromaticContact CE2-NE2 3.8Å; N1922-H1926 PolarHBondContact O-CD2 3.21Å; N1922-H1926 VanDerWaalsContact O-CD2 3.32Å; N1922-H1926 PolarHBondContact O-N 3.21Å
1927S68.5Low71.1Confident55 Ų5550.9 Ų50.939%0.38529%0.286SS..SBendtrans-125.1147.6175.7860000112.3G1929 N1932S1927-G1929 VanDerWaalsContact C-N 3.31Å; S1927-G1929 PolarHBondContact O-N 2.93Å; S1927-N1932 PolarHBondContact N-ND2 2.98Å; S1927-N1932 VanDerWaalsContact O-CB 3.25Å; S1927-N1932 WeakPolarHBondContact O-CB 3.44Å; S1927-N1932 PolarHBondContact O-ND2 3.43Å; S1927-N1932 PolarHBondContact OG-ND2 2.99Å
1928Y75.1Confident71.9Confident28 Ų2848.9 Ų48.911%0.1128%0.282CS..  trans-97.445-172.3-52.7-84000111.7P1378 F1977 K1980 Q1984 L2355P1378-Y1928 HydrophobicContact CB-CE2 3.88Å; P1378-Y1928 HydrophobicContact CG-CD2 4.35Å; P1378-Y1928 HydrophobicContact CG-CE2 3.46Å; P1378-Y1928 VanDerWaalsContact CG-CE2 3.46Å; Y1928-F1977 AromaticContact CD1-CD2 3.92Å; Y1928-F1977 HydrophobicContact CD1-CD2 3.92Å; Y1928-F1977 AromaticContact CD1-CE2 3.61Å; Y1928-F1977 HydrophobicContact CD1-CE2 3.61Å; Y1928-F1977 AromaticContact CE1-CD2 3.67Å; Y1928-F1977 HydrophobicContact CE1-CD2 3.67Å; Y1928-F1977 AromaticContact CE1-CE2 3.63Å; Y1928-F1977 HydrophobicContact CE1-CE2 3.63Å; Y1928-K1980 HydrophobicContact CD1-CB 4.01Å; Y1928-K1980 HydrophobicContact CD1-CG 3.29Å; Y1928-K1980 HydrophobicContact CE1-CB 4.4Å; Y1928-K1980 HydrophobicContact CE1-CG 3.73Å; Y1928-K1980 HydrophobicContact CG-CG 3.82Å; Y1928-Q1984 VanDerWaalsContact O-CB 3.31Å; Y1928-Q1984 WeakPolarHBondContact O-CB 3.47Å; Y1928-Q1984 VanDerWaalsContact O-CG 3.3Å; Y1928-Q1984 WeakPolarHBondContact O-CG 3.25Å; Y1928-L2355 HydrophobicContact CE1-CD2 3.72Å
1929G72.2Confident72.7Confident26 Ų2648.7 Ų48.727%0.26828%0.28SS..  trans-93162.4-178.700000114.1S1927 T1931 N1932 M1933S1927-G1929 VanDerWaalsContact C-N 3.31Å; S1927-G1929 PolarHBondContact O-N 2.93Å; G1929-T1931 VanDerWaalsContact C-N 3.29Å; G1929-T1931 PolarHBondContact O-N 2.8Å; G1929-N1932 PolarHBondContact O-N 2.95Å; G1929-N1932 VanDerWaalsContact O-N 3.14Å; G1929-M1933 PolarHBondContact O-N 2.77Å
1930M73.7Confident73.6Confident87 Ų8750.7 Ų50.743%0.42929%0.287SS..Hα-helixtrans-56.5-42.1173.3-178.7179.6175.700112.3N1932 M1933 I1934 F1985M1930-N1932 VanDerWaalsContact C-N 3.32Å; M1930-N1932 PolarHBondContact O-N 3.25Å; M1930-M1933 PolarHBondContact O-N 3.43Å; M1930-I1934 HydrophobicContact CE-CD1 3.83Å; M1930-I1934 HydrophobicContact CG-CD1 3.94Å; M1930-I1934 WeakPolarHBondContact O-CG1 3.5Å; M1930-I1934 PolarHBondContact O-N 3.3Å; M1930-F1985 HydrophobicContact CB-CD2 4.04Å; M1930-F1985 HydrophobicContact CG-CD2 4.29Å; M1930-F1985 HydrophobicContact CG-CE2 4.44Å; M1930-F1985 HydrophobicContact SD-CD2 4.08Å; M1930-F1985 HydrophobicContact SD-CE2 3.68Å
1931T71.6Confident74.7Confident111 Ų11155.3 Ų55.368%0.68131%0.312SS*.Hα-helixtrans-60.1-42.8176.9-46.10000111.6G1929 I1934 A1935G1929-T1931 VanDerWaalsContact C-N 3.29Å; G1929-T1931 PolarHBondContact O-N 2.8Å; T1931-I1934 PolarHBondContact O-N 3.22Å; T1931-A1935 VanDerWaalsContact O-CB 3.31Å; T1931-A1935 WeakPolarHBondContact O-CB 3.38Å; T1931-A1935 PolarHBondContact O-N 3.04Å
1932N80.9Confident75.7Confident30 Ų3056.9 Ų56.916%0.1631%0.31CS..Hα-helixtrans-69.6-41.6178.4-82.127.1000111.8L1924 S1927 G1929 M1930 I1934 A1935 F1936L1924-N1932 WeakPolarHBondContact O-CB 3.15Å; L1924-N1932 PolarHBondContact O-ND2 3.41Å; S1927-N1932 PolarHBondContact N-ND2 2.98Å; S1927-N1932 VanDerWaalsContact O-CB 3.25Å; S1927-N1932 WeakPolarHBondContact O-CB 3.44Å; S1927-N1932 PolarHBondContact O-ND2 3.43Å; S1927-N1932 PolarHBondContact OG-ND2 2.99Å; G1929-N1932 PolarHBondContact O-N 2.95Å; G1929-N1932 VanDerWaalsContact O-N 3.14Å; M1930-N1932 VanDerWaalsContact C-N 3.32Å; M1930-N1932 PolarHBondContact O-N 3.25Å; N1932-I1934 VanDerWaalsContact C-N 3.32Å; N1932-I1934 PolarHBondContact O-N 3.03Å; N1932-A1935 PolarHBondContact O-N 2.98Å; N1932-F1936 WeakPolarHBondContact O-CB 3.22Å; N1932-F1936 PolarHBondContact O-N 2.92Å
1933M83.3Confident76.5Confident29 Ų2960.3 Ų60.314%0.14333%0.334CS..Hα-helixtrans-57-44.7171.9-174.3-177.156.100111.9G1929 M1930 K1937 C1981G1929-M1933 PolarHBondContact O-N 2.77Å; M1930-M1933 PolarHBondContact O-N 3.43Å; M1933-K1937 HydrophobicContact CG-CD 4.33Å; M1933-K1937 WeakPolarHBondContact O-CB 3.42Å; M1933-K1937 VanDerWaalsContact O-CG 3.32Å; M1933-K1937 WeakPolarHBondContact O-CG 3.41Å; M1933-K1937 PolarHBondContact O-N 3.36Å; M1933-C1981 HydrophobicContact CB-CB 3.76Å; M1933-C1981 HydrophobicContact CG-CB 4.1Å; M1933-C1981 HydrophobicContact SD-CB 4.33Å
1934I84Confident77.5Confident85 Ų8562.7 Ų62.744%0.43634%0.341SS..Hα-helixtrans-67.5-48.6179.2-68.4168.2000110.4M1930 T1931 N1932 F1936 K1937 V1938M1930-I1934 HydrophobicContact CE-CD1 3.83Å; M1930-I1934 HydrophobicContact CG-CD1 3.94Å; M1930-I1934 WeakPolarHBondContact O-CG1 3.5Å; M1930-I1934 PolarHBondContact O-N 3.3Å; T1931-I1934 PolarHBondContact O-N 3.22Å; N1932-I1934 VanDerWaalsContact C-N 3.32Å; N1932-I1934 PolarHBondContact O-N 3.03Å; I1934-F1936 VanDerWaalsContact C-N 3.31Å; I1934-F1936 PolarHBondContact O-N 3.13Å; I1934-K1937 PolarHBondContact O-N 3.5Å; I1934-V1938 HydrophobicContact CG2-CG2 4.46Å; I1934-V1938 WeakPolarHBondContact O-CG2 3.48Å; I1934-V1938 PolarHBondContact O-N 3.4Å
1935A79.2Confident78.3Confident33 Ų3362.4 Ų62.427%0.27334%0.339SS..Hα-helixtrans-63-37.2179.600000112.2L1924 T1931 N1932 V1938 F1939L1924-A1935 HydrophobicContact CD2-CB 3.77Å; T1931-A1935 VanDerWaalsContact O-CB 3.31Å; T1931-A1935 WeakPolarHBondContact O-CB 3.38Å; T1931-A1935 PolarHBondContact O-N 3.04Å; N1932-A1935 PolarHBondContact O-N 2.98Å; A1935-V1938 PolarHBondContact O-N 3.15Å; A1935-F1939 VanDerWaalsContact O-CB 3.31Å; A1935-F1939 WeakPolarHBondContact O-CB 3.45Å; A1935-F1939 PolarHBondContact O-N 2.87Å
1936F85Confident79.1Confident6 Ų663.3 Ų63.33%0.02634%0.343CS..Hα-helixtrans-69.5-40.4174.5-172-106.8000112.4L1924 T1925 N1932 I1934 F1939 M1940 A1974 F1977L1924-F1936 HydrophobicContact CB-CB 4.45Å; L1924-F1936 HydrophobicContact CB-CD2 4.27Å; T1925-F1936 HydrophobicContact CG2-CD2 3.75Å; T1925-F1936 HydrophobicContact CG2-CE2 3.68Å; T1925-F1936 HydrophobicContact CG2-CG 4.45Å; T1925-F1936 HydrophobicContact CG2-CZ 4.32Å; N1932-F1936 WeakPolarHBondContact O-CB 3.22Å; N1932-F1936 PolarHBondContact O-N 2.92Å; I1934-F1936 VanDerWaalsContact C-N 3.31Å; I1934-F1936 PolarHBondContact O-N 3.13Å; F1936-F1939 HydrophobicContact CD2-CD1 4.49Å; F1936-F1939 HydrophobicContact CE2-CD1 4.47Å; F1936-F1939 WeakPolarHBondContact O-CB 3.49Å; F1936-F1939 PolarHBondContact O-N 2.99Å; F1936-M1940 HydrophobicContact CD1-SD 4.06Å; F1936-M1940 HydrophobicContact CE1-CG 4.2Å; F1936-M1940 HydrophobicContact CE1-SD 3.56Å; F1936-M1940 VanDerWaalsContact CE1-SD 3.56Å; F1936-M1940 HydrophobicContact CZ-CG 4.37Å; F1936-M1940 HydrophobicContact CZ-SD 4.14Å; F1936-M1940 WeakPolarHBondContact O-CG 3.23Å; F1936-M1940 PolarHBondContact O-N 3.44Å; F1936-A1974 HydrophobicContact CE1-CB 3.77Å; F1936-A1974 HydrophobicContact CZ-CB 3.65Å; F1936-F1977 HydrophobicContact CB-CD1 4.5Å; F1936-F1977 HydrophobicContact CB-CE1 3.95Å; F1936-F1977 AromaticContact CD1-CD1 3.58Å; F1936-F1977 HydrophobicContact CD1-CD1 3.58Å; F1936-F1977 AromaticContact CD1-CE1 3.9Å; F1936-F1977 HydrophobicContact CD1-CE1 3.9Å; F1936-F1977 HydrophobicContact CD2-CE1 4.46Å; F1936-F1977 AromaticContact CE1-CD1 3.84Å; F1936-F1977 HydrophobicContact CE1-CD1 3.84Å; F1936-F1977 AromaticContact CG-CD1 3.95Å; F1936-F1977 HydrophobicContact CG-CD1 3.95Å; F1936-F1977 AromaticContact CG-CE1 3.85Å; F1936-F1977 HydrophobicContact CG-CE1 3.85Å; F1936-F1977 HydrophobicContact CZ-CD1 4.42Å
1937K84.3Confident80.1Confident98 Ų9865.6 Ų65.643%0.42635%0.354SS..Hα-helixtrans-65.2-37.4171.8-75.6-178.4-179.2-177.10112.6M1933 I1934 M1940 N1941 N1978M1933-K1937 HydrophobicContact CG-CD 4.33Å; M1933-K1937 WeakPolarHBondContact O-CB 3.42Å; M1933-K1937 VanDerWaalsContact O-CG 3.32Å; M1933-K1937 WeakPolarHBondContact O-CG 3.41Å; M1933-K1937 PolarHBondContact O-N 3.36Å; I1934-K1937 PolarHBondContact O-N 3.5Å; K1937-M1940 PolarHBondContact O-N 2.64Å; K1937-N1941 WeakPolarHBondContact O-CB 3.5Å; K1937-N1941 PolarHBondContact O-N 3.44Å; K1937-N1941 PolarHBondContact O-ND2 3.13Å; K1937-N1941 VanDerWaalsContact O-ND2 3.17Å; K1937-N1978 WeakPolarHBondContact CE-OD1 3.39Å; K1937-N1978 WeakPolarHBondContact CG-OD1 3.48Å
1938V81.9Confident80.9Confident79 Ų7967.3 Ų67.348%0.47936%0.358SS..Hα-helixtrans-63.1-46.8171.9169.60000110.2I1934 A1935 M1940 N1941 I1942I1934-V1938 HydrophobicContact CG2-CG2 4.46Å; I1934-V1938 WeakPolarHBondContact O-CG2 3.48Å; I1934-V1938 PolarHBondContact O-N 3.4Å; A1935-V1938 PolarHBondContact O-N 3.15Å; V1938-M1940 VanDerWaalsContact C-N 3.33Å; V1938-M1940 PolarHBondContact O-N 2.94Å; V1938-N1941 PolarHBondContact O-N 3.4Å; V1938-I1942 HydrophobicContact CG1-CD1 4.44Å; V1938-I1942 WeakPolarHBondContact O-CG1 3.3Å; V1938-I1942 PolarHBondContact O-N 2.92Å; V1938-I1942 VanDerWaalsContact O-N 3.16Å
1939F82.5Confident81.4Confident22 Ų2268.2 Ų68.210%0.09636%0.361CS..Hα-helixtrans-55.5-43.7175.2174-86000112.6L1924 A1935 F1936 N1941 L1945 F1946L1924-F1939 HydrophobicContact CD1-CB 3.75Å; L1924-F1939 HydrophobicContact CD1-CD2 3.93Å; L1924-F1939 HydrophobicContact CD1-CG 3.91Å; A1935-F1939 VanDerWaalsContact O-CB 3.31Å; A1935-F1939 WeakPolarHBondContact O-CB 3.45Å; A1935-F1939 PolarHBondContact O-N 2.87Å; F1936-F1939 HydrophobicContact CD2-CD1 4.49Å; F1936-F1939 HydrophobicContact CE2-CD1 4.47Å; F1936-F1939 WeakPolarHBondContact O-CB 3.49Å; F1936-F1939 PolarHBondContact O-N 2.99Å; F1939-N1941 VanDerWaalsContact C-N 3.35Å; F1939-L1945 HydrophobicContact CD2-CD2 3.64Å; F1939-L1945 HydrophobicContact CE1-CD2 4.42Å; F1939-L1945 HydrophobicContact CE2-CD2 3.14Å; F1939-L1945 HydrophobicContact CG-CD2 4.45Å; F1939-L1945 HydrophobicContact CZ-CD2 3.56Å; F1939-F1946 HydrophobicContact CE1-CD2 4.18Å
1940M81.3Confident82.1Confident67 Ų6767 Ų6733%0.3335%0.348SS..Hα-helixtrans-68.5-28.9174.7-70.4-176.374.400113.9F1936 K1937 V1938 A1974F1936-M1940 HydrophobicContact CD1-SD 4.06Å; F1936-M1940 HydrophobicContact CE1-CG 4.2Å; F1936-M1940 HydrophobicContact CE1-SD 3.56Å; F1936-M1940 VanDerWaalsContact CE1-SD 3.56Å; F1936-M1940 HydrophobicContact CZ-CG 4.37Å; F1936-M1940 HydrophobicContact CZ-SD 4.14Å; F1936-M1940 WeakPolarHBondContact O-CG 3.23Å; F1936-M1940 PolarHBondContact O-N 3.44Å; K1937-M1940 PolarHBondContact O-N 2.64Å; V1938-M1940 VanDerWaalsContact C-N 3.33Å; V1938-M1940 PolarHBondContact O-N 2.94Å; M1940-A1974 HydrophobicContact CE-CB 4.02Å; M1940-A1974 HydrophobicContact SD-CB 4.02Å
1941N80.9Confident82.8Confident134 Ų13464.5 Ų64.572%0.71734%0.342SS*.Hα-helixtrans-83.3-11.6-179.5-73.6-24.2000113.7K1937 V1938 F1939K1937-N1941 WeakPolarHBondContact O-CB 3.5Å; K1937-N1941 PolarHBondContact O-N 3.44Å; K1937-N1941 PolarHBondContact O-ND2 3.13Å; K1937-N1941 VanDerWaalsContact O-ND2 3.17Å; V1938-N1941 PolarHBondContact O-N 3.4Å; F1939-N1941 VanDerWaalsContact C-N 3.35Å
1942I81.3Confident83.6Confident74 Ų7460.1 Ų60.138%0.37931%0.314SS..SBendtrans-75.3120.4175.7-64.8163.9000108.2V1938 L1945V1938-I1942 HydrophobicContact CG1-CD1 4.44Å; V1938-I1942 WeakPolarHBondContact O-CG1 3.3Å; V1938-I1942 PolarHBondContact O-N 2.92Å; V1938-I1942 VanDerWaalsContact O-N 3.16Å; I1942-L1945 HydrophobicContact CB-CB 4.01Å; I1942-L1945 HydrophobicContact CB-CD1 4.22Å; I1942-L1945 HydrophobicContact CD1-CD1 4.06Å; I1942-L1945 HydrophobicContact CG2-CB 3.7Å; I1942-L1945 HydrophobicContact CG2-CD1 3.75Å; I1942-L1945 HydrophobicContact CG2-CG 4.39Å; I1942-L1945 PolarHBondContact O-N 2.97Å
1943P80.7Confident83.9Confident100 Ų10059.2 Ų59.265%0.64931%0.309SS*.THydrogen-bonded Turntrans-60.2141.4-17525.5-35000111.3L1945P1943-L1945 PolarHBondContact O-N 2.92Å
1944F83.1Confident84.2Confident152 Ų15262.1 Ų62.167%0.66732%0.318SS*.THydrogen-bonded Turntrans59.3-14.1-176.3-48.6-67.1000116.7E1947 L1948F1944-E1947 PolarHBondContact O-N 2.87Å; F1944-L1948 WeakPolarHBondContact O-CA 3.48Å; F1944-L1948 WeakPolarHBondContact O-CB 3.25Å; F1944-L1948 PolarHBondContact O-N 3.49Å
1945L82.5Confident84.5Confident35 Ų3561.6 Ų61.618%0.18332%0.319CS..Hα-helixtrans-70.3-43.9-171.7-164.9159.6000112.2F1939 I1942 P1943 R1949F1939-L1945 HydrophobicContact CD2-CD2 3.64Å; F1939-L1945 HydrophobicContact CE1-CD2 4.42Å; F1939-L1945 HydrophobicContact CE2-CD2 3.14Å; F1939-L1945 HydrophobicContact CG-CD2 4.45Å; F1939-L1945 HydrophobicContact CZ-CD2 3.56Å; I1942-L1945 HydrophobicContact CB-CB 4.01Å; I1942-L1945 HydrophobicContact CB-CD1 4.22Å; I1942-L1945 HydrophobicContact CD1-CD1 4.06Å; I1942-L1945 HydrophobicContact CG2-CB 3.7Å; I1942-L1945 HydrophobicContact CG2-CD1 3.75Å; I1942-L1945 HydrophobicContact CG2-CG 4.39Å; I1942-L1945 PolarHBondContact O-N 2.97Å; P1943-L1945 PolarHBondContact O-N 2.92Å; L1945-R1949 VanDerWaalsContact O-CB 3.3Å; L1945-R1949 WeakPolarHBondContact O-CB 3.32Å; L1945-R1949 PolarHBondContact O-N 3.31Å
1946F84.6Confident84.8Confident24 Ų2463.6 Ų63.611%0.10532%0.32CS..Hα-helixtrans-59.6-49.6172.2175.6-102.3000111.3F1939 R1949 T1950 E1970 N1971F1939-F1946 HydrophobicContact CE1-CD2 4.18Å; F1946-R1949 PolarHBondContact O-N 2.99Å; F1946-T1950 HydrophobicContact CD2-CG2 4.47Å; F1946-T1950 HydrophobicContact CE1-CG2 4.34Å; F1946-T1950 HydrophobicContact CE2-CG2 4.09Å; F1946-T1950 HydrophobicContact CZ-CG2 4.03Å; F1946-T1950 WeakPolarHBondContact O-CG2 3.27Å; F1946-T1950 PolarHBondContact O-N 3.44Å; F1946-T1950 PolarHBondContact O-OG1 2.9Å; F1946-E1970 HydrophobicContact CZ-CB 4.18Å; F1946-N1971 VanDerWaalsContact CE1-OD1 3.27Å; F1946-N1971 WeakPolarHBondContact CE1-OD1 3.28Å; F1946-N1971 WeakPolarHBondContact CZ-OD1 3.16Å
1947E85.9Confident84.8Confident103 Ų10365.6 Ų65.648%0.48133%0.333SS..Hα-helixtrans-66.5-42.1-176.4-58.5170.2168.500113.1F1944 T1950 A1951 F1967F1944-E1947 PolarHBondContact O-N 2.87Å; E1947-T1950 PolarHBondContact O-N 2.93Å; E1947-T1950 PolarHBondContact O-OG1 3.45Å; E1947-T1950 VanDerWaalsContact O-OG1 3.07Å; E1947-A1951 VanDerWaalsContact O-CB 3.32Å; E1947-A1951 WeakPolarHBondContact O-CB 3.24Å; E1947-A1951 PolarHBondContact O-N 3.34Å; E1947-F1967 HydrophobicContact CB-CE1 4.16Å; E1947-F1967 HydrophobicContact CB-CZ 4.29Å; E1947-F1967 HydrophobicContact CG-CE1 4.27Å
1948L85.2Confident84.9Confident90 Ų9064.5 Ų64.547%0.47133%0.331SS..Hα-helixtrans-68.1-39.1176.7-179.2134.5000110.2F1944 I1952F1944-L1948 WeakPolarHBondContact O-CA 3.48Å; F1944-L1948 WeakPolarHBondContact O-CB 3.25Å; F1944-L1948 PolarHBondContact O-N 3.49Å; L1948-I1952 HydrophobicContact CD2-CD1 3.49Å; L1948-I1952 VanDerWaalsContact CD2-CD1 3.49Å; L1948-I1952 HydrophobicContact CG-CD1 3.89Å; L1948-I1952 WeakPolarHBondContact O-CB 3.4Å; L1948-I1952 WeakPolarHBondContact O-CG1 3.37Å; L1948-I1952 PolarHBondContact O-N 2.74Å
1949R86.1Confident85.1Confident47 Ų4762.2 Ų62.218%0.17732%0.318CS..Hα-helixtrans-62-51.8172.3178.7-170.6159.9-152.9-19.3111.4N1922 L1945 F1946 A1951 I1952 D1953N1922-R1949 PolarHBondContact ND2-NH1 3.38Å; L1945-R1949 VanDerWaalsContact O-CB 3.3Å; L1945-R1949 WeakPolarHBondContact O-CB 3.32Å; L1945-R1949 PolarHBondContact O-N 3.31Å; F1946-R1949 PolarHBondContact O-N 2.99Å; R1949-A1951 VanDerWaalsContact C-N 3.3Å; R1949-A1951 PolarHBondContact O-N 3.44Å; R1949-I1952 PolarHBondContact O-N 2.91Å; R1949-I1952 VanDerWaalsContact O-N 3.16Å; R1949-D1953 WeakPolarHBondContact CG-OD2 3.22Å; R1949-D1953 IonicContact CZ-OD2 2.67Å; R1949-D1953 IonicContact NE-OD2 2.7Å; R1949-D1953 PolarHBondContact NE-OD2 3.07Å; R1949-D1953 IonicContact NH2-OD2 3.53Å; R1949-D1953 WeakPolarHBondContact O-CB 3.42Å; R1949-D1953 PolarHBondContact O-N 2.86Å
1950T86.7Confident85.3Confident1 Ų162.8 Ų62.81%0.00633%0.325CS..Hα-helixtrans-64.4-36.8-176510000111.7F1946 E1947 W1954 F1966 F1967 E1970F1946-T1950 HydrophobicContact CD2-CG2 4.47Å; F1946-T1950 HydrophobicContact CE1-CG2 4.34Å; F1946-T1950 HydrophobicContact CE2-CG2 4.09Å; F1946-T1950 HydrophobicContact CZ-CG2 4.03Å; F1946-T1950 WeakPolarHBondContact O-CG2 3.27Å; F1946-T1950 PolarHBondContact O-N 3.44Å; F1946-T1950 PolarHBondContact O-OG1 2.9Å; E1947-T1950 PolarHBondContact O-N 2.93Å; E1947-T1950 PolarHBondContact O-OG1 3.45Å; E1947-T1950 VanDerWaalsContact O-OG1 3.07Å; T1950-W1954 VanDerWaalsContact O-CB 3.29Å; T1950-W1954 WeakPolarHBondContact O-CB 3.36Å; T1950-W1954 PolarHBondContact O-N 3.17Å; T1950-F1966 WeakPolarHBondContact O-CE1 3.49Å; T1950-F1967 WeakPolarHBondContact OG1-CE1 3.29Å; T1950-F1967 WeakPolarHBondContact OG1-CZ 3.42Å; T1950-E1970 HydrophobicContact CG2-CB 3.89Å; T1950-E1970 HydrophobicContact CG2-CG 3.81Å
1951A88.7Confident85.5Confident35 Ų3559.9 Ų59.929%0.28931%0.31SS..Hα-helixtrans-62.7-46.3170.900000112.3E1947 R1949 W1954 T1955E1947-A1951 VanDerWaalsContact O-CB 3.32Å; E1947-A1951 WeakPolarHBondContact O-CB 3.24Å; E1947-A1951 PolarHBondContact O-N 3.34Å; R1949-A1951 VanDerWaalsContact C-N 3.3Å; R1949-A1951 PolarHBondContact O-N 3.44Å; A1951-W1954 PolarHBondContact O-N 3.42Å; A1951-T1955 WeakPolarHBondContact O-CG2 3.41Å; A1951-T1955 PolarHBondContact O-N 3.19Å; A1951-T1955 PolarHBondContact O-OG1 2.87Å
1952I87.9Confident85.9Confident19 Ų1956 Ų5610%0.09729%0.293CS..Hα-helixtrans-62-48.5178-83178.3000112.2I1846 R1849 L1853 L1948 R1949 W1954 T1955 W1956I1846-I1952 HydrophobicContact CG1-CD1 3.97Å; I1846-I1952 HydrophobicContact CG2-CD1 4.39Å; R1849-I1952 HydrophobicContact CB-CG2 4.2Å; R1849-I1952 HydrophobicContact CG-CG2 3.35Å; L1853-I1952 HydrophobicContact CD1-CG2 4.49Å; L1948-I1952 HydrophobicContact CD2-CD1 3.49Å; L1948-I1952 VanDerWaalsContact CD2-CD1 3.49Å; L1948-I1952 HydrophobicContact CG-CD1 3.89Å; L1948-I1952 WeakPolarHBondContact O-CB 3.4Å; L1948-I1952 WeakPolarHBondContact O-CG1 3.37Å; L1948-I1952 PolarHBondContact O-N 2.74Å; R1949-I1952 PolarHBondContact O-N 2.91Å; R1949-I1952 VanDerWaalsContact O-N 3.16Å; I1952-W1954 VanDerWaalsContact C-N 3.29Å; I1952-W1954 PolarHBondContact O-N 3.35Å; I1952-T1955 WeakPolarHBondContact CA-OG1 3.25Å; I1952-T1955 PolarHBondContact O-N 3.1Å; I1952-T1955 VanDerWaalsContact O-N 3.12Å; I1952-T1955 PolarHBondContact O-OG1 3.27Å; I1952-W1956 HydrophobicContact CB-CE3 4.35Å; I1952-W1956 HydrophobicContact CB-CZ3 3.94Å; I1952-W1956 HydrophobicContact CD1-CZ3 4.35Å; I1952-W1956 HydrophobicContact CG1-CH2 4.42Å; I1952-W1956 HydrophobicContact CG1-CZ3 3.74Å; I1952-W1956 HydrophobicContact CG2-CE3 3.77Å; I1952-W1956 HydrophobicContact CG2-CZ3 3.59Å; I1952-W1956 PolarHBondContact O-N 2.94Å
1953D86.3Confident86.2Confident10 Ų1055.1 Ų55.15%0.05329%0.288CS..Hα-helixtrans-63.4-37.7179.5-70.9-8.6000109.9R1849 R1949 T1957 F1966R1849-D1953 IonicContact CZ-OD1 3.65Å; R1849-D1953 IonicContact NE-OD1 2.7Å; R1849-D1953 PolarHBondContact NE-OD1 2.87Å; R1849-D1953 IonicContact NH2-OD1 3.85Å; R1849-D1953 PolarHBondContact NH2-OD1 2.89Å; R1849-D1953 IonicContact NH2-OD2 3.25Å; R1849-D1953 PolarHBondContact NH2-OD2 3.02Å; R1949-D1953 WeakPolarHBondContact CG-OD2 3.22Å; R1949-D1953 IonicContact CZ-OD2 2.67Å; R1949-D1953 IonicContact NE-OD2 2.7Å; R1949-D1953 PolarHBondContact NE-OD2 3.07Å; R1949-D1953 IonicContact NH2-OD2 3.53Å; R1949-D1953 WeakPolarHBondContact O-CB 3.42Å; R1949-D1953 PolarHBondContact O-N 2.86Å; D1953-T1957 WeakPolarHBondContact O-CB 3.47Å; D1953-T1957 PolarHBondContact O-N 3.35Å; D1953-T1957 VanDerWaalsContact O-N 3.09Å; D1953-T1957 PolarHBondContact O-OG1 2.76Å; D1953-F1966 HydrophobicContact CB-CZ 4.37Å
1954W90.2Very high86.6Confident90 Ų9058.3 Ų58.334%0.34129%0.292SS..Hα-helixtrans-65.6-38.3171.2178.782.7000113.5T1950 A1951 I1952 W1956 M1961 L1963 F1966T1950-W1954 VanDerWaalsContact O-CB 3.29Å; T1950-W1954 WeakPolarHBondContact O-CB 3.36Å; T1950-W1954 PolarHBondContact O-N 3.17Å; A1951-W1954 PolarHBondContact O-N 3.42Å; I1952-W1954 VanDerWaalsContact C-N 3.29Å; I1952-W1954 PolarHBondContact O-N 3.35Å; W1954-W1956 PolarHBondContact O-N 3.48Å; W1954-M1961 PolarHBondContact NE1-O 3.27Å; W1954-L1963 HydrophobicContact CB-CD1 4.18Å; W1954-L1963 HydrophobicContact CD2-CB 4.35Å; W1954-L1963 HydrophobicContact CD2-CD1 3.64Å; W1954-L1963 HydrophobicContact CE3-CD1 3.67Å; W1954-L1963 HydrophobicContact CG-CD1 3.87Å; W1954-L1963 HydrophobicContact CZ2-CB 4.22Å; W1954-L1963 HydrophobicContact CZ3-CD1 4.31Å; W1954-F1966 HydrophobicContact CB-CD1 4.14Å; W1954-F1966 HydrophobicContact CB-CD2 4.36Å; W1954-F1966 HydrophobicContact CB-CE1 4.18Å; W1954-F1966 HydrophobicContact CB-CE2 4.36Å; W1954-F1966 HydrophobicContact CB-CG 4.25Å; W1954-F1966 HydrophobicContact CB-CZ 4.28Å; W1954-F1966 AromaticContact CD1-CD2 3.8Å; W1954-F1966 AromaticContact CD1-CG 3.89Å; W1954-F1966 HydrophobicContact CG-CD2 4.5Å; W1954-F1966 HydrophobicContact CG-CG 4.42Å
1955T89.7Confident86.9Confident75 Ų7551.5 Ų51.546%0.4626%0.263SS..Hα-helixtrans-71.3-24.4-178.751.50000115.4A1951 I1952A1951-T1955 WeakPolarHBondContact O-CG2 3.41Å; A1951-T1955 PolarHBondContact O-N 3.19Å; A1951-T1955 PolarHBondContact O-OG1 2.87Å; I1952-T1955 WeakPolarHBondContact CA-OG1 3.25Å; I1952-T1955 PolarHBondContact O-N 3.1Å; I1952-T1955 VanDerWaalsContact O-N 3.12Å; I1952-T1955 PolarHBondContact O-OG1 3.27Å
1956W87.1Confident87.3Confident75 Ų7550 Ų5028%0.28425%0.254SS..Hα-helixtrans-118-2-176.9-68.3-58.7000115.1I1846 A1850 L1853 I1952 W1954I1846-W1956 HydrophobicContact CG2-CH2 3.53Å; I1846-W1956 HydrophobicContact CG2-CZ3 4.12Å; A1850-W1956 HydrophobicContact CB-CD2 3.64Å; A1850-W1956 HydrophobicContact CB-CE3 3.85Å; A1850-W1956 HydrophobicContact CB-CG 4.24Å; A1850-W1956 HydrophobicContact CB-CH2 4.09Å; A1850-W1956 HydrophobicContact CB-CZ2 3.84Å; A1850-W1956 HydrophobicContact CB-CZ3 4.05Å; L1853-W1956 HydrophobicContact CB-CB 4.05Å; L1853-W1956 HydrophobicContact CD1-CB 3.84Å; L1853-W1956 HydrophobicContact CD1-CE3 4.34Å; I1952-W1956 HydrophobicContact CB-CE3 4.35Å; I1952-W1956 HydrophobicContact CB-CZ3 3.94Å; I1952-W1956 HydrophobicContact CD1-CZ3 4.35Å; I1952-W1956 HydrophobicContact CG1-CH2 4.42Å; I1952-W1956 HydrophobicContact CG1-CZ3 3.74Å; I1952-W1956 HydrophobicContact CG2-CE3 3.77Å; I1952-W1956 HydrophobicContact CG2-CZ3 3.59Å; I1952-W1956 PolarHBondContact O-N 2.94Å; W1954-W1956 PolarHBondContact O-N 3.48Å
1957T84Confident87.6Confident48 Ų4850.8 Ų50.829%0.29426%0.258SS..SBendtrans-101.2132.4171.6-48.70000109.8D1953 T1959 R2365D1953-T1957 WeakPolarHBondContact O-CB 3.47Å; D1953-T1957 PolarHBondContact O-N 3.35Å; D1953-T1957 VanDerWaalsContact O-N 3.09Å; D1953-T1957 PolarHBondContact O-OG1 2.76Å; T1957-T1959 PolarHBondContact O-N 3Å; T1957-R2365 HydrophobicContact CG2-CG 4.27Å
1958D85.7Confident87.8Confident74 Ų7449 Ų4940%0.39625%0.252SS..  trans-67.3116.4172.5-52.5-28.5000108.9K2368 F2370D1958-K2368 WeakPolarHBondContact OD2-CE 3.46Å; D1958-K2368 IonicContact OD2-NZ 3.26Å; D1958-K2368 PolarHBondContact OD2-NZ 3.4Å; D1958-F2370 HydrophobicContact CB-CE1 4.47Å; D1958-F2370 HydrophobicContact CB-CZ 3.96Å; D1958-F2370 WeakPolarHBondContact O-CE1 3.36Å
1959T87.7Confident88Confident31 Ų3144.7 Ų44.719%0.1923%0.229CC..  trans-149.2154.5178176.60000110.1T1957 M1961 F1966 E2373T1957-T1959 PolarHBondContact O-N 3Å; T1959-M1961 PolarHBondContact OG1-N 3.41Å; T1959-F1966 HydrophobicContact CG2-CD2 4.19Å; T1959-F1966 HydrophobicContact CG2-CE2 4.3Å; T1959-E2373 VanDerWaalsContact OG1-CD 3.31Å; T1959-E2373 PolarHBondContact OG1-OE1 3.44Å; T1959-E2373 PolarHBondContact OG1-OE2 2.99Å
1960S86.2Confident88.1Confident35 Ų3542.9 Ų42.925%0.24522%0.223CC..SBendtrans-96.6-6176.267.80000114.4F2370 E2373 Q2374S1960-F2370 PolarHBondContact OG-O 3.03Å; S1960-E2373 PolarHBondContact N-OE2 3.2Å; S1960-E2373 PolarHBondContact OG-OE2 2.91Å; S1960-Q2374 VanDerWaalsContact CB-NE2 3.31Å; S1960-Q2374 WeakPolarHBondContact OG-CG 3.33Å; S1960-Q2374 PolarHBondContact OG-NE2 3.03Å
1961M85Confident88.2Confident5 Ų546.2 Ų46.23%0.02524%0.241CC..SBendtrans-78.3136.7179.6-60.1-168.3-16900112W1954 T1959 F1966 I2361 E2373 F2377W1954-M1961 PolarHBondContact NE1-O 3.27Å; T1959-M1961 PolarHBondContact OG1-N 3.41Å; M1961-F1966 HydrophobicContact CB-CB 4.48Å; M1961-I2361 HydrophobicContact CE-CG2 3.79Å; M1961-E2373 HydrophobicContact CE-CG 3.47Å; M1961-E2373 VanDerWaalsContact CE-CG 3.47Å; M1961-E2373 HydrophobicContact CG-CG 4.35Å; M1961-F2377 HydrophobicContact CE-CB 3.56Å; M1961-F2377 HydrophobicContact CE-CD1 4.35Å; M1961-F2377 HydrophobicContact CE-CD2 3.96Å; M1961-F2377 HydrophobicContact CE-CG 3.71Å; M1961-F2377 HydrophobicContact SD-CD1 4.3Å; M1961-F2377 HydrophobicContact SD-CD2 4.16Å; M1961-F2377 HydrophobicContact SD-CE2 4.43Å; M1961-F2377 HydrophobicContact SD-CG 4.09Å
1962P89.3Confident88.2Confident54 Ų5447.1 Ų47.135%0.35124%0.238SC..  trans-68.5152.8168.331.1-33.7000110.6Y1354 F1964 D1965 F1966Y1354-P1962 HydrophobicContact CD1-CG 4.36Å; Y1354-P1962 HydrophobicContact CE1-CG 3.6Å; Y1354-P1962 WeakPolarHBondContact OH-CD 3.46Å; P1962-F1964 PolarHBondContact O-N 3.43Å; P1962-F1964 VanDerWaalsContact O-N 3.15Å; P1962-D1965 HydrophobicContact CG-CB 4.06Å; P1962-D1965 PolarHBondContact O-N 3.49Å; P1962-F1966 PolarHBondContact O-N 3.09Å
1963L88.2Confident88.3Confident55 Ų5547 Ų4729%0.28824%0.237SC..Hα-helixtrans-44.7-51.4-173.2-175.268.4000114.1W1954 D1965 F1966 F1967W1954-L1963 HydrophobicContact CB-CD1 4.18Å; W1954-L1963 HydrophobicContact CD2-CB 4.35Å; W1954-L1963 HydrophobicContact CD2-CD1 3.64Å; W1954-L1963 HydrophobicContact CE3-CD1 3.67Å; W1954-L1963 HydrophobicContact CG-CD1 3.87Å; W1954-L1963 HydrophobicContact CZ2-CB 4.22Å; W1954-L1963 HydrophobicContact CZ3-CD1 4.31Å; L1963-D1965 VanDerWaalsContact C-N 3.28Å; L1963-D1965 PolarHBondContact O-N 3.35Å; L1963-F1966 WeakPolarHBondContact O-CB 3.37Å; L1963-F1966 PolarHBondContact O-N 3.28Å; L1963-F1967 HydrophobicContact CD1-CD2 4Å; L1963-F1967 HydrophobicContact CD1-CE2 3.8Å; L1963-F1967 HydrophobicContact CD2-CE2 4.49Å; L1963-F1967 HydrophobicContact CG-CD2 3.95Å; L1963-F1967 HydrophobicContact CG-CE2 3.96Å; L1963-F1967 WeakPolarHBondContact O-CD2 3.43Å; L1963-F1967 PolarHBondContact O-N 3.38Å
1964F89.2Confident88.3Confident167 Ų16746.6 Ų46.673%0.73224%0.235SC*.Hα-helixtrans-63.4-30.7-178-67.2-66.6000113.9P1962 F1967 N1968P1962-F1964 PolarHBondContact O-N 3.43Å; P1962-F1964 VanDerWaalsContact O-N 3.15Å; F1964-F1967 WeakPolarHBondContact O-CB 3.27Å; F1964-N1968 VanDerWaalsContact O-CG 3.22Å; F1964-N1968 PolarHBondContact O-N 3.08Å; F1964-N1968 PolarHBondContact O-ND2 3.38Å; F1964-N1968 VanDerWaalsContact O-ND2 3.1Å
1965D89.6Confident88.2Confident9 Ų945.6 Ų45.65%0.04823%0.233CC..Hα-helixtrans-82.4-32.3178.6-75-35.6000112.1Y1354 K1358 P1962 L1963 N1968 M1969 F2377Y1354-D1965 WeakPolarHBondContact OH-CB 3.49Å; Y1354-D1965 PolarHBondContact OH-OD2 2.97Å; Y1354-D1965 VanDerWaalsContact OH-OD2 3.06Å; K1358-D1965 WeakPolarHBondContact CE-OD1 3.37Å; K1358-D1965 WeakPolarHBondContact CE-OD2 3.41Å; K1358-D1965 IonicContact NZ-OD1 2.75Å; K1358-D1965 PolarHBondContact NZ-OD1 2.66Å; K1358-D1965 IonicContact NZ-OD2 3.49Å; K1358-D1965 PolarHBondContact NZ-OD2 3.47Å; P1962-D1965 HydrophobicContact CG-CB 4.06Å; P1962-D1965 PolarHBondContact O-N 3.49Å; L1963-D1965 VanDerWaalsContact C-N 3.28Å; L1963-D1965 PolarHBondContact O-N 3.35Å; D1965-N1968 PolarHBondContact O-N 3.29Å; D1965-N1968 PolarHBondContact OD1-ND2 2.75Å; D1965-M1969 PolarHBondContact O-N 3.37Å; D1965-F2377 HydrophobicContact CB-CE1 3.64Å; D1965-F2377 HydrophobicContact CB-CZ 3.7Å; D1965-F2377 WeakPolarHBondContact O-CZ 3.46Å
1966F90.3Very high88.1Confident2 Ų242 Ų421%0.00921%0.212CC..Hα-helixtrans-58.9-46.6165.1-169.6-79.2000111.1T1950 D1953 W1954 T1959 M1961 P1962 L1963 N1968 M1969 E1970T1950-F1966 WeakPolarHBondContact O-CE1 3.49Å; D1953-F1966 HydrophobicContact CB-CZ 4.37Å; W1954-F1966 HydrophobicContact CB-CD1 4.14Å; W1954-F1966 HydrophobicContact CB-CD2 4.36Å; W1954-F1966 HydrophobicContact CB-CE1 4.18Å; W1954-F1966 HydrophobicContact CB-CE2 4.36Å; W1954-F1966 HydrophobicContact CB-CG 4.25Å; W1954-F1966 HydrophobicContact CB-CZ 4.28Å; W1954-F1966 AromaticContact CD1-CD2 3.8Å; W1954-F1966 AromaticContact CD1-CG 3.89Å; W1954-F1966 HydrophobicContact CG-CD2 4.5Å; W1954-F1966 HydrophobicContact CG-CG 4.42Å; T1959-F1966 HydrophobicContact CG2-CD2 4.19Å; T1959-F1966 HydrophobicContact CG2-CE2 4.3Å; M1961-F1966 HydrophobicContact CB-CB 4.48Å; P1962-F1966 PolarHBondContact O-N 3.09Å; L1963-F1966 WeakPolarHBondContact O-CB 3.37Å; L1963-F1966 PolarHBondContact O-N 3.28Å; F1966-N1968 VanDerWaalsContact C-N 3.34Å; F1966-N1968 PolarHBondContact O-N 3.47Å; F1966-M1969 PolarHBondContact O-N 3.35Å; F1966-E1970 HydrophobicContact CD1-CG 4.02Å; F1966-E1970 HydrophobicContact CE1-CG 3.8Å; F1966-E1970 WeakPolarHBondContact O-CG 3.43Å; F1966-E1970 PolarHBondContact O-N 3.11Å
1967F91.5Very high88.2Confident41 Ų4138.5 Ų38.518%0.1820%0.198CC..Hα-helixtrans-58.1-41.9172.9-96.3-86.8000112.7E1947 T1950 L1963 F1964 N1971E1947-F1967 HydrophobicContact CB-CE1 4.16Å; E1947-F1967 HydrophobicContact CB-CZ 4.29Å; E1947-F1967 HydrophobicContact CG-CE1 4.27Å; T1950-F1967 WeakPolarHBondContact OG1-CE1 3.29Å; T1950-F1967 WeakPolarHBondContact OG1-CZ 3.42Å; L1963-F1967 HydrophobicContact CD1-CD2 4Å; L1963-F1967 HydrophobicContact CD1-CE2 3.8Å; L1963-F1967 HydrophobicContact CD2-CE2 4.49Å; L1963-F1967 HydrophobicContact CG-CD2 3.95Å; L1963-F1967 HydrophobicContact CG-CE2 3.96Å; L1963-F1967 WeakPolarHBondContact O-CD2 3.43Å; L1963-F1967 PolarHBondContact O-N 3.38Å; F1964-F1967 WeakPolarHBondContact O-CB 3.27Å; F1967-N1971 WeakPolarHBondContact O-CB 3.41Å; F1967-N1971 VanDerWaalsContact O-CG 3.27Å; F1967-N1971 PolarHBondContact O-N 2.85Å; F1967-N1971 PolarHBondContact O-ND2 3.4Å; F1967-N1971 VanDerWaalsContact O-ND2 3.15Å
1968N89.5Confident88.4Confident66 Ų6637.3 Ų37.335%0.35319%0.19SC..Hα-helixtrans-63.9-42.5175.8-71.3-34.4000111.9F1964 D1965 F1966 N1971 F1972F1964-N1968 VanDerWaalsContact O-CG 3.22Å; F1964-N1968 PolarHBondContact O-N 3.08Å; F1964-N1968 PolarHBondContact O-ND2 3.38Å; F1964-N1968 VanDerWaalsContact O-ND2 3.1Å; D1965-N1968 PolarHBondContact O-N 3.29Å; D1965-N1968 PolarHBondContact OD1-ND2 2.75Å; F1966-N1968 VanDerWaalsContact C-N 3.34Å; F1966-N1968 PolarHBondContact O-N 3.47Å; N1968-N1971 PolarHBondContact O-N 3.26Å; N1968-F1972 HydrophobicContact CB-CE2 4.27Å; N1968-F1972 WeakPolarHBondContact O-CD2 3.22Å; N1968-F1972 WeakPolarHBondContact O-CG 3.46Å; N1968-F1972 PolarHBondContact O-N 2.92Å
1969M88.2Confident88.5Confident0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-61.9-48178.1-161.7-81.5-77.200111.9D1965 F1966 N1971 F1972 Y1973 I2361 Y2362 F2377D1965-M1969 PolarHBondContact O-N 3.37Å; F1966-M1969 PolarHBondContact O-N 3.35Å; M1969-N1971 VanDerWaalsContact C-N 3.34Å; M1969-N1971 PolarHBondContact O-N 3.08Å; M1969-F1972 PolarHBondContact O-N 3.33Å; M1969-Y1973 PolarHBondContact O-N 3.43Å; M1969-I2361 HydrophobicContact CE-CG2 3.89Å; M1969-I2361 HydrophobicContact CG-CD1 4.46Å; M1969-I2361 HydrophobicContact CG-CG2 4.42Å; M1969-I2361 HydrophobicContact SD-CG2 4.31Å; M1969-Y2362 HydrophobicContact CE-CD1 4.14Å; M1969-Y2362 HydrophobicContact CE-CE1 3.6Å; M1969-Y2362 HydrophobicContact SD-CE1 4.43Å; M1969-F2377 HydrophobicContact CB-CD2 4.13Å; M1969-F2377 HydrophobicContact CB-CE2 3.74Å; M1969-F2377 HydrophobicContact CG-CD2 4.01Å; M1969-F2377 HydrophobicContact CG-CE2 4.12Å
1970E88.7Confident88.5Confident9 Ų934.4 Ų34.44%0.04217%0.172CC..Hα-helixtrans-61.9-39.4175.9-70.8-76.4165.600112F1946 T1950 F1966 Y1973 A1974 Y2362F1946-E1970 HydrophobicContact CZ-CB 4.18Å; T1950-E1970 HydrophobicContact CG2-CB 3.89Å; T1950-E1970 HydrophobicContact CG2-CG 3.81Å; F1966-E1970 HydrophobicContact CD1-CG 4.02Å; F1966-E1970 HydrophobicContact CE1-CG 3.8Å; F1966-E1970 WeakPolarHBondContact O-CG 3.43Å; F1966-E1970 PolarHBondContact O-N 3.11Å; E1970-Y1973 PolarHBondContact O-N 2.92Å; E1970-A1974 VanDerWaalsContact O-CB 3.27Å; E1970-A1974 WeakPolarHBondContact O-CB 3.3Å; E1970-A1974 PolarHBondContact O-N 2.89Å; E1970-Y2362 PolarHBondContact OE1-OH 3.05Å; E1970-Y2362 PolarHBondContact OE2-OH 3.49Å
1971N89.1Confident88.6Confident71 Ų7132.8 Ų32.838%0.3816%0.16SC..Hα-helixtrans-63.2-42.8174-80.2-32.6000112.5F1946 F1967 N1968 M1969 A1974 H1975F1946-N1971 VanDerWaalsContact CE1-OD1 3.27Å; F1946-N1971 WeakPolarHBondContact CE1-OD1 3.28Å; F1946-N1971 WeakPolarHBondContact CZ-OD1 3.16Å; F1967-N1971 WeakPolarHBondContact O-CB 3.41Å; F1967-N1971 VanDerWaalsContact O-CG 3.27Å; F1967-N1971 PolarHBondContact O-N 2.85Å; F1967-N1971 PolarHBondContact O-ND2 3.4Å; F1967-N1971 VanDerWaalsContact O-ND2 3.15Å; N1968-N1971 PolarHBondContact O-N 3.26Å; M1969-N1971 VanDerWaalsContact C-N 3.34Å; M1969-N1971 PolarHBondContact O-N 3.08Å; N1971-A1974 PolarHBondContact O-N 2.89Å; N1971-H1975 PolarHBondContact O-N 3.35Å
1972F88.9Confident88.7Confident54 Ų5434.1 Ų34.124%0.23717%0.172CC..Hα-helixtrans-64.1-47.2175.4-66.7-46.8000111.4N1968 M1969 A1974 H1975 I1976 L2380 F2384N1968-F1972 HydrophobicContact CB-CE2 4.27Å; N1968-F1972 WeakPolarHBondContact O-CD2 3.22Å; N1968-F1972 WeakPolarHBondContact O-CG 3.46Å; N1968-F1972 PolarHBondContact O-N 2.92Å; M1969-F1972 PolarHBondContact O-N 3.33Å; F1972-A1974 VanDerWaalsContact C-N 3.33Å; F1972-A1974 PolarHBondContact O-N 3.06Å; F1972-H1975 PolarHBondContact O-N 2.8Å; F1972-H1975 VanDerWaalsContact O-N 3.16Å; F1972-I1976 WeakPolarHBondContact O-CB 3.47Å; F1972-I1976 WeakPolarHBondContact O-CD1 3.3Å; F1972-I1976 VanDerWaalsContact O-CG1 3.27Å; F1972-I1976 WeakPolarHBondContact O-CG1 3.33Å; F1972-I1976 PolarHBondContact O-N 3.49Å; F1972-L2380 HydrophobicContact CB-CD2 4.44Å; F1972-L2380 HydrophobicContact CD2-CD2 4.21Å; F1972-F2384 HydrophobicContact CB-CE2 3.87Å; F1972-F2384 HydrophobicContact CB-CZ 4.29Å; F1972-F2384 HydrophobicContact CD1-CD1 4.49Å; F1972-F2384 AromaticContact CD1-CD2 3.78Å; F1972-F2384 HydrophobicContact CD1-CD2 3.78Å; F1972-F2384 HydrophobicContact CD1-CE1 4.33Å; F1972-F2384 AromaticContact CD1-CE2 3.59Å; F1972-F2384 HydrophobicContact CD1-CE2 3.59Å; F1972-F2384 HydrophobicContact CD1-CG 4.24Å; F1972-F2384 AromaticContact CD1-CZ 3.89Å; F1972-F2384 HydrophobicContact CD1-CZ 3.89Å; F1972-F2384 HydrophobicContact CD2-CD2 4.24Å; F1972-F2384 HydrophobicContact CD2-CE2 4.24Å; F1972-F2384 HydrophobicContact CE1-CB 4.46Å; F1972-F2384 HydrophobicContact CE1-CD1 4.42Å; F1972-F2384 AromaticContact CE1-CD2 3.86Å; F1972-F2384 HydrophobicContact CE1-CD2 3.86Å; F1972-F2384 HydrophobicContact CE1-CE2 4.16Å; F1972-F2384 HydrophobicContact CE1-CG 4.01Å; F1972-F2384 HydrophobicContact CE2-CD2 4.32Å; F1972-F2384 AromaticContact CG-CD2 4Å; F1972-F2384 HydrophobicContact CG-CD2 4Å; F1972-F2384 AromaticContact CG-CE2 3.65Å; F1972-F2384 HydrophobicContact CG-CE2 3.65Å; F1972-F2384 HydrophobicContact CG-CZ 4.26Å; F1972-F2384 HydrophobicContact CZ-CD2 4.14Å; F1972-F2384 HydrophobicContact CZ-CG 4.42Å
1973Y89.3Confident88.5Confident17 Ų1734.3 Ų34.37%0.06717%0.166CC..Hα-helixtrans-57.7-45.3176.1175.7-108000111.6T1925 M1969 E1970 H1975 I1976 F1977 L2355 C2358 L2359 Y2362T1925-Y1973 WeakPolarHBondContact CB-OH 3.27Å; T1925-Y1973 HydrophobicContact CG2-CE1 4.13Å; T1925-Y1973 PolarHBondContact OG1-OH 3.31Å; M1969-Y1973 PolarHBondContact O-N 3.43Å; E1970-Y1973 PolarHBondContact O-N 2.92Å; Y1973-H1975 VanDerWaalsContact C-N 3.33Å; Y1973-H1975 PolarHBondContact O-N 2.77Å; Y1973-I1976 PolarHBondContact O-N 3.12Å; Y1973-F1977 WeakPolarHBondContact O-CB 3.12Å; Y1973-F1977 PolarHBondContact O-N 3.33Å; Y1973-L2355 HydrophobicContact CD2-CD1 4.05Å; Y1973-L2355 HydrophobicContact CE2-CD1 3.65Å; Y1973-C2358 HydrophobicContact CD2-CB 3.76Å; Y1973-L2359 HydrophobicContact CE2-CD2 4.5Å; Y1973-Y2362 HydrophobicContact CD1-CE2 4.25Å; Y1973-Y2362 WeakPolarHBondContact CD1-OH 3.5Å; Y1973-Y2362 AromaticContact CD2-CE2 3.92Å; Y1973-Y2362 HydrophobicContact CD2-CE2 3.92Å; Y1973-Y2362 HydrophobicContact CE1-CE2 4.35Å; Y1973-Y2362 HydrophobicContact CE2-CE2 4Å; Y1973-Y2362 HydrophobicContact CG-CE2 4.03Å
1974A87.4Confident88.2Confident1 Ų136 Ų361%0.00817%0.172CC..Hα-helixtrans-60.5-38.9176.400000112.9F1936 M1940 E1970 N1971 F1972 N1978F1936-A1974 HydrophobicContact CE1-CB 3.77Å; F1936-A1974 HydrophobicContact CZ-CB 3.65Å; M1940-A1974 HydrophobicContact CE-CB 4.02Å; M1940-A1974 HydrophobicContact SD-CB 4.02Å; E1970-A1974 VanDerWaalsContact O-CB 3.27Å; E1970-A1974 WeakPolarHBondContact O-CB 3.3Å; E1970-A1974 PolarHBondContact O-N 2.89Å; N1971-A1974 PolarHBondContact O-N 2.89Å; F1972-A1974 VanDerWaalsContact C-N 3.33Å; F1972-A1974 PolarHBondContact O-N 3.06Å; A1974-N1978 PolarHBondContact O-N 3.31Å; A1974-N1978 PolarHBondContact O-ND2 3.18Å
1975H86.9Confident87.9Confident68 Ų6831.4 Ų31.432%0.31515%0.152SC..Hα-helixtrans-70.7-47.9177.2-164.1-86.6000111.9N1971 F1972 Y1973 F1977 N1978 I1979 F2345N1971-H1975 PolarHBondContact O-N 3.35Å; F1972-H1975 PolarHBondContact O-N 2.8Å; F1972-H1975 VanDerWaalsContact O-N 3.16Å; Y1973-H1975 VanDerWaalsContact C-N 3.33Å; Y1973-H1975 PolarHBondContact O-N 2.77Å; H1975-F1977 PolarHBondContact O-N 2.89Å; H1975-N1978 PolarHBondContact O-N 3.49Å; H1975-I1979 WeakPolarHBondContact O-CG1 3.46Å; H1975-I1979 PolarHBondContact O-N 3.44Å; H1975-F2345 PolarHBondContact CE1-O 3.12Å
1976I88.9Confident87.5Confident1 Ų136 Ų361%0.00517%0.173CC..Hα-helixtrans-60-45.6177.6-66.8160.2000110.8F1972 Y1973 N1978 I1979 K1980 A2351 L2354 L2355 F2384F1972-I1976 WeakPolarHBondContact O-CB 3.47Å; F1972-I1976 WeakPolarHBondContact O-CD1 3.3Å; F1972-I1976 VanDerWaalsContact O-CG1 3.27Å; F1972-I1976 WeakPolarHBondContact O-CG1 3.33Å; F1972-I1976 PolarHBondContact O-N 3.49Å; Y1973-I1976 PolarHBondContact O-N 3.12Å; I1976-N1978 VanDerWaalsContact C-N 3.34Å; I1976-N1978 PolarHBondContact O-N 2.89Å; I1976-I1979 PolarHBondContact O-N 3.04Å; I1976-I1979 VanDerWaalsContact O-N 3.13Å; I1976-K1980 PolarHBondContact O-N 3.14Å; I1976-A2351 HydrophobicContact CG2-CB 4.32Å; I1976-L2354 HydrophobicContact CD1-CB 3.78Å; I1976-L2354 HydrophobicContact CG1-CB 4.15Å; I1976-L2354 HydrophobicContact CG1-CD1 4.45Å; I1976-L2354 HydrophobicContact CG2-CB 4.15Å; I1976-L2355 HydrophobicContact CG2-CB 3.82Å; I1976-L2355 HydrophobicContact CG2-CD1 4.25Å; I1976-F2384 HydrophobicContact CD1-CE2 4.21Å; I1976-F2384 HydrophobicContact CD1-CZ 3.92Å; I1976-F2384 HydrophobicContact CG1-CZ 4.16Å
1977F88Confident86.8Confident0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-58.6-43.7177.6175.1-98.8000112.3L1924 T1925 Y1928 F1936 Y1973 H1975 I1979 K1980 C1981L1924-F1977 WeakPolarHBondContact O-CZ 3.39Å; T1925-F1977 VanDerWaalsContact CA-CE2 3.42Å; T1925-F1977 HydrophobicContact CG2-CD1 3.89Å; T1925-F1977 HydrophobicContact CG2-CD2 3.98Å; T1925-F1977 HydrophobicContact CG2-CE1 3.86Å; T1925-F1977 HydrophobicContact CG2-CE2 3.98Å; T1925-F1977 HydrophobicContact CG2-CG 3.95Å; T1925-F1977 HydrophobicContact CG2-CZ 3.92Å; T1925-F1977 WeakPolarHBondContact O-CE2 3.5Å; Y1928-F1977 AromaticContact CD1-CD2 3.92Å; Y1928-F1977 HydrophobicContact CD1-CD2 3.92Å; Y1928-F1977 AromaticContact CD1-CE2 3.61Å; Y1928-F1977 HydrophobicContact CD1-CE2 3.61Å; Y1928-F1977 AromaticContact CE1-CD2 3.67Å; Y1928-F1977 HydrophobicContact CE1-CD2 3.67Å; Y1928-F1977 AromaticContact CE1-CE2 3.63Å; Y1928-F1977 HydrophobicContact CE1-CE2 3.63Å; F1936-F1977 HydrophobicContact CB-CD1 4.5Å; F1936-F1977 HydrophobicContact CB-CE1 3.95Å; F1936-F1977 AromaticContact CD1-CD1 3.58Å; F1936-F1977 HydrophobicContact CD1-CD1 3.58Å; F1936-F1977 AromaticContact CD1-CE1 3.9Å; F1936-F1977 HydrophobicContact CD1-CE1 3.9Å; F1936-F1977 HydrophobicContact CD2-CE1 4.46Å; F1936-F1977 AromaticContact CE1-CD1 3.84Å; F1936-F1977 HydrophobicContact CE1-CD1 3.84Å; F1936-F1977 AromaticContact CG-CD1 3.95Å; F1936-F1977 HydrophobicContact CG-CD1 3.95Å; F1936-F1977 AromaticContact CG-CE1 3.85Å; F1936-F1977 HydrophobicContact CG-CE1 3.85Å; F1936-F1977 HydrophobicContact CZ-CD1 4.42Å; Y1973-F1977 WeakPolarHBondContact O-CB 3.12Å; Y1973-F1977 PolarHBondContact O-N 3.33Å; H1975-F1977 PolarHBondContact O-N 2.89Å; F1977-I1979 VanDerWaalsContact C-N 3.31Å; F1977-I1979 PolarHBondContact O-N 2.89Å; F1977-K1980 PolarHBondContact O-N 3.39Å; F1977-C1981 VanDerWaalsContact CE1-SG 3.52Å; F1977-C1981 WeakPolarHBondContact CZ-SG 3.46Å; F1977-C1981 PolarHBondContact O-N 2.87Å; F1977-C1981 PolarHBondContact O-SG 3.39Å
1978N88.2Confident85.8Confident24 Ų2438.3 Ų38.313%0.12820%0.201CC..Hα-helixtrans-61.2-38175.8-86.9-64.9000112.4K1937 A1974 H1975 I1976 A1982K1937-N1978 WeakPolarHBondContact CE-OD1 3.39Å; K1937-N1978 WeakPolarHBondContact CG-OD1 3.48Å; A1974-N1978 PolarHBondContact O-N 3.31Å; A1974-N1978 PolarHBondContact O-ND2 3.18Å; H1975-N1978 PolarHBondContact O-N 3.49Å; I1976-N1978 VanDerWaalsContact C-N 3.34Å; I1976-N1978 PolarHBondContact O-N 2.89Å; N1978-A1982 PolarHBondContact O-N 2.96Å
1979I88.6Confident85.1Confident13 Ų1338 Ų387%0.06720%0.195CC..Hα-helixtrans-69.6-45.3176.5-60.9159.9000110.9H1975 I1976 F1977 C1981 A1982 R1983 F2345 L2348 A2351H1975-I1979 WeakPolarHBondContact O-CG1 3.46Å; H1975-I1979 PolarHBondContact O-N 3.44Å; I1976-I1979 PolarHBondContact O-N 3.04Å; I1976-I1979 VanDerWaalsContact O-N 3.13Å; F1977-I1979 VanDerWaalsContact C-N 3.31Å; F1977-I1979 PolarHBondContact O-N 2.89Å; I1979-C1981 VanDerWaalsContact C-N 3.28Å; I1979-C1981 PolarHBondContact O-N 3.4Å; I1979-A1982 WeakPolarHBondContact O-CB 3.36Å; I1979-A1982 PolarHBondContact O-N 3.28Å; I1979-R1983 HydrophobicContact CG2-CG 4.24Å; I1979-R1983 WeakPolarHBondContact O-CG 3.39Å; I1979-R1983 PolarHBondContact O-N 3.28Å; I1979-F2345 WeakPolarHBondContact CD1-O 3.43Å; I1979-L2348 HydrophobicContact CD1-CD1 4.11Å; I1979-L2348 HydrophobicContact CG2-CB 4.47Å; I1979-A2351 HydrophobicContact CB-CB 4.48Å; I1979-A2351 HydrophobicContact CG2-CB 4.16Å
1980K87.6Confident84.4Confident31 Ų3139.3 Ų39.314%0.13520%0.203CC..Hα-helixtrans-56.6-43.6175.8178.456164.6-176.20111.4Y1928 I1976 F1977 A1982 R1983 Q1984 D2352 L2355Y1928-K1980 HydrophobicContact CD1-CB 4.01Å; Y1928-K1980 HydrophobicContact CD1-CG 3.29Å; Y1928-K1980 HydrophobicContact CE1-CB 4.4Å; Y1928-K1980 HydrophobicContact CE1-CG 3.73Å; Y1928-K1980 HydrophobicContact CG-CG 3.82Å; I1976-K1980 PolarHBondContact O-N 3.14Å; F1977-K1980 PolarHBondContact O-N 3.39Å; K1980-A1982 PolarHBondContact O-N 3Å; K1980-R1983 PolarHBondContact O-N 2.91Å; K1980-Q1984 WeakPolarHBondContact O-CB 3.46Å; K1980-Q1984 PolarHBondContact O-N 3.12Å; K1980-D2352 WeakPolarHBondContact CD-OD1 3.44Å; K1980-D2352 WeakPolarHBondContact CE-OD1 3.25Å; K1980-D2352 IonicContact NZ-OD1 3.62Å; K1980-D2352 PolarHBondContact NZ-OD1 3.32Å; K1980-D2352 IonicContact NZ-OD2 3.5Å; K1980-D2352 PolarHBondContact NZ-OD2 2.75Å; K1980-L2355 HydrophobicContact CB-CD2 4.46Å; K1980-L2355 HydrophobicContact CG-CD2 4.13Å
1981C88.1Confident83.5Confident0 Ų042.5 Ų42.50%023%0.232CC..Hα-helixtrans-64.1-37.5174.6-63.60000113.2M1933 F1977 I1979 F1985M1933-C1981 HydrophobicContact CB-CB 3.76Å; M1933-C1981 HydrophobicContact CG-CB 4.1Å; M1933-C1981 HydrophobicContact SD-CB 4.33Å; F1977-C1981 VanDerWaalsContact CE1-SG 3.52Å; F1977-C1981 WeakPolarHBondContact CZ-SG 3.46Å; F1977-C1981 PolarHBondContact O-N 2.87Å; F1977-C1981 PolarHBondContact O-SG 3.39Å; I1979-C1981 VanDerWaalsContact C-N 3.28Å; I1979-C1981 PolarHBondContact O-N 3.4Å; C1981-F1985 WeakPolarHBondContact O-CB 3.31Å; C1981-F1985 PolarHBondContact O-N 3.21Å
1982A86.6Confident82.6Confident33 Ų3341 Ų4127%0.27323%0.226SC..Hα-helixtrans-65.4-44.3176.200000111.8N1978 I1979 K1980 F1985 E1986N1978-A1982 PolarHBondContact O-N 2.96Å; I1979-A1982 WeakPolarHBondContact O-CB 3.36Å; I1979-A1982 PolarHBondContact O-N 3.28Å; K1980-A1982 PolarHBondContact O-N 3Å; A1982-F1985 WeakPolarHBondContact O-CB 3.44Å; A1982-F1985 PolarHBondContact O-N 3.47Å; A1982-E1986 WeakPolarHBondContact O-CG 3.43Å; A1982-E1986 PolarHBondContact O-N 3.49Å
1983R86.4Confident81.7Confident59 Ų5950.4 Ų50.422%0.22326%0.259CS..Hα-helixtrans-67-37.9175.8-60.6-53.8179-152.6-5.3112.3I1979 K1980 F1985 E1986 A1987 E2347 L2348I1979-R1983 HydrophobicContact CG2-CG 4.24Å; I1979-R1983 WeakPolarHBondContact O-CG 3.39Å; I1979-R1983 PolarHBondContact O-N 3.28Å; K1980-R1983 PolarHBondContact O-N 2.91Å; R1983-F1985 VanDerWaalsContact C-N 3.34Å; R1983-E1986 WeakPolarHBondContact CD-OE2 3.48Å; R1983-E1986 IonicContact CZ-OE2 2.85Å; R1983-E1986 IonicContact NE-OE2 2.65Å; R1983-E1986 IonicContact NH1-OE1 2.97Å; R1983-E1986 PolarHBondContact NH1-OE1 2.87Å; R1983-E1986 IonicContact NH1-OE2 3.84Å; R1983-E1986 PolarHBondContact NH1-OE2 3.34Å; R1983-E1986 PolarHBondContact O-N 3.01Å; R1983-A1987 PolarHBondContact O-N 3.49Å; R1983-E2347 IonicContact CZ-OE2 2.75Å; R1983-E2347 IonicContact NH1-OE2 3.55Å; R1983-E2347 IonicContact NH2-OE2 2.63Å; R1983-E2347 PolarHBondContact NH2-OE2 3.32Å; R1983-L2348 PolarHBondContact NE-O 3.06Å; R1983-L2348 PolarHBondContact NH2-O 3.29Å
1984Q82.1Confident80.8Confident90 Ų9053.3 Ų53.342%0.42130%0.295SS..Hα-helixtrans-66.5-35.3173.7-165.76816.900112.2Y1928 K1980 A1987 A1988Y1928-Q1984 VanDerWaalsContact O-CB 3.31Å; Y1928-Q1984 WeakPolarHBondContact O-CB 3.47Å; Y1928-Q1984 VanDerWaalsContact O-CG 3.3Å; Y1928-Q1984 WeakPolarHBondContact O-CG 3.25Å; K1980-Q1984 WeakPolarHBondContact O-CB 3.46Å; K1980-Q1984 PolarHBondContact O-N 3.12Å; Q1984-A1987 PolarHBondContact O-N 3.12Å; Q1984-A1988 WeakPolarHBondContact O-CB 3.11Å; Q1984-A1988 PolarHBondContact O-N 2.97Å
1985F82.3Confident79.9Confident70 Ų7057.5 Ų57.531%0.30732%0.316SS..Hα-helixtrans-65.6-42.3171.7170.6-96.7000112.1M1930 C1981 A1982 R1983 A1987 A1988 Y1989M1930-F1985 HydrophobicContact CB-CD2 4.04Å; M1930-F1985 HydrophobicContact CG-CD2 4.29Å; M1930-F1985 HydrophobicContact CG-CE2 4.44Å; M1930-F1985 HydrophobicContact SD-CD2 4.08Å; M1930-F1985 HydrophobicContact SD-CE2 3.68Å; C1981-F1985 WeakPolarHBondContact O-CB 3.31Å; C1981-F1985 PolarHBondContact O-N 3.21Å; A1982-F1985 WeakPolarHBondContact O-CB 3.44Å; A1982-F1985 PolarHBondContact O-N 3.47Å; R1983-F1985 VanDerWaalsContact C-N 3.34Å; F1985-A1987 VanDerWaalsContact C-N 3.29Å; F1985-A1987 PolarHBondContact O-N 3.12Å; F1985-A1988 PolarHBondContact O-N 3.33Å; F1985-Y1989 AromaticContact CD2-CD2 3.4Å; F1985-Y1989 HydrophobicContact CD2-CD2 3.4Å; F1985-Y1989 AromaticContact CD2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CD2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CD2-CG 4.42Å; F1985-Y1989 AromaticContact CE2-CD2 3.36Å; F1985-Y1989 HydrophobicContact CE2-CD2 3.36Å; F1985-Y1989 AromaticContact CE2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CE2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CE2-CG 4.03Å; F1985-Y1989 HydrophobicContact CG-CD2 4.28Å; F1985-Y1989 HydrophobicContact CZ-CD2 4.21Å; F1985-Y1989 PolarHBondContact O-N 2.92Å
1986E80.3Confident79.1Confident105 Ų10559.1 Ų59.149%0.49133%0.333SS..Hα-helixtrans-61.6-35.8174.3-72.7174.2163.300112.4A1982 R1983A1982-E1986 WeakPolarHBondContact O-CG 3.43Å; A1982-E1986 PolarHBondContact O-N 3.49Å; R1983-E1986 WeakPolarHBondContact CD-OE2 3.48Å; R1983-E1986 IonicContact CZ-OE2 2.85Å; R1983-E1986 IonicContact NE-OE2 2.65Å; R1983-E1986 IonicContact NH1-OE1 2.97Å; R1983-E1986 PolarHBondContact NH1-OE1 2.87Å; R1983-E1986 IonicContact NH1-OE2 3.84Å; R1983-E1986 PolarHBondContact NH1-OE2 3.34Å; R1983-E1986 PolarHBondContact O-N 3.01Å
1987A75.5Confident78.3Confident53 Ų5366.9 Ų66.944%0.43837%0.367SS..Hα-helixtrans-69.9-45.2173.500000112.7R1983 Q1984 F1985 Y1989R1983-A1987 PolarHBondContact O-N 3.49Å; Q1984-A1987 PolarHBondContact O-N 3.12Å; F1985-A1987 VanDerWaalsContact C-N 3.29Å; F1985-A1987 PolarHBondContact O-N 3.12Å; A1987-Y1989 VanDerWaalsContact C-N 3.35Å; A1987-Y1989 PolarHBondContact O-N 3.46Å
1988A70.6Confident77.4Confident40 Ų4067.6 Ų67.633%0.33137%0.374SS..Hα-helixtrans-72.6-22.7-177.700000114.4Q1984 F1985Q1984-A1988 WeakPolarHBondContact O-CB 3.11Å; Q1984-A1988 PolarHBondContact O-N 2.97Å; F1985-A1988 PolarHBondContact O-N 3.33Å
1989Y75.2Confident76.9Confident60 Ų6073.2 Ų73.224%0.23540%0.397CS..SBendtrans-125.866.8179.3-63.1-84.2000111.3Q1400 Y1403 F1985 A1987 A1991Q1400-Y1989 HydrophobicContact CG-CE1 4.24Å; Y1403-Y1989 AromaticContact CD1-CD1 3.98Å; Y1403-Y1989 HydrophobicContact CD1-CD1 3.98Å; Y1403-Y1989 HydrophobicContact CD2-CD1 4.16Å; Y1403-Y1989 HydrophobicContact CE1-CD1 4.45Å; Y1403-Y1989 AromaticContact CG-CD1 3.8Å; Y1403-Y1989 HydrophobicContact CG-CD1 3.8Å; Y1403-Y1989 HydrophobicContact CG-CE1 4.48Å; Y1403-Y1989 PolarHBondContact OH-O 3.04Å; F1985-Y1989 AromaticContact CD2-CD2 3.4Å; F1985-Y1989 HydrophobicContact CD2-CD2 3.4Å; F1985-Y1989 AromaticContact CD2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CD2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CD2-CG 4.42Å; F1985-Y1989 AromaticContact CE2-CD2 3.36Å; F1985-Y1989 HydrophobicContact CE2-CD2 3.36Å; F1985-Y1989 AromaticContact CE2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CE2-CE2 3.73Å; F1985-Y1989 HydrophobicContact CE2-CG 4.03Å; F1985-Y1989 HydrophobicContact CG-CD2 4.28Å; F1985-Y1989 HydrophobicContact CZ-CD2 4.21Å; F1985-Y1989 PolarHBondContact O-N 2.92Å; A1987-Y1989 VanDerWaalsContact C-N 3.35Å; A1987-Y1989 PolarHBondContact O-N 3.46Å; Y1989-A1991 PolarHBondContact O-N 3.42Å
1990P73.6Confident76Confident26 Ų2675.7 Ų75.717%0.16941%0.41CS..PPolyproline II helixtrans-62.8128.3-172.625.9-34.6000111.7A1432 L1433A1432-P1990 HydrophobicContact CB-CG 4.25Å; L1433-P1990 HydrophobicContact CB-CG 4.5Å; L1433-P1990 HydrophobicContact CD1-CB 4.11Å; L1433-P1990 HydrophobicContact CD1-CG 4.29Å
1991A70.5Confident75.3Confident77 Ų7777.3 Ų77.364%0.63642%0.423SS*.PPolyproline II helixtrans-92.8126.8174.800000110.7Y1989 R1993Y1989-A1991 PolarHBondContact O-N 3.42Å; A1991-R1993 PolarHBondContact O-N 3.05Å
1992P69.5Low74.8Confident39 Ų3983.4 Ų83.425%0.25345%0.449SS..PPolyproline II helixtrans-67.1132.5-179.326.6-35.1000111.8V1436 G1994 I1995V1436-P1992 HydrophobicContact CG1-CG 3.94Å; P1992-G1994 PolarHBondContact O-N 3.4Å; P1992-I1995 HydrophobicContact CB-CD1 3.79Å; P1992-I1995 HydrophobicContact CB-CG1 4.08Å; P1992-I1995 HydrophobicContact CG-CB 4.14Å; P1992-I1995 HydrophobicContact CG-CD1 3.62Å; P1992-I1995 HydrophobicContact CG-CG1 4Å
1993R71.3Confident74.5Confident251 Ų25189.7 Ų89.795%0.94747%0.467SS*.THydrogen-bonded Turntrans-64.7131.7-178.9-174.4177.9178.3-177-0.9110.9A1991A1991-R1993 PolarHBondContact O-N 3.05Å
1994G69.7Low73.9Confident79 Ų7993.2 Ų93.281%0.81449%0.487SS*.THydrogen-bonded Turntrans87-5.7173.700000115.9P1992P1992-G1994 PolarHBondContact O-N 3.4Å
1995I67.6Low73.6Confident88 Ų8895.7 Ų95.745%0.45150%0.501SS..PPolyproline II helixtrans-86.5134.3177.9-55.6-163.7000110.2P1992 K1997P1992-I1995 HydrophobicContact CB-CD1 3.79Å; P1992-I1995 HydrophobicContact CB-CG1 4.08Å; P1992-I1995 HydrophobicContact CG-CB 4.14Å; P1992-I1995 HydrophobicContact CG-CD1 3.62Å; P1992-I1995 HydrophobicContact CG-CG1 4Å; I1995-K1997 PolarHBondContact O-N 3Å
1996P69.9Low73.5Confident103 Ų10393.7 Ų93.767%0.66950%0.5SS*.PPolyproline II helixtrans-65.3134.1175.327.1-34.9000111.1G1998P1996-G1998 PolarHBondContact O-N 3.36Å
1997K71.9Confident73.5Confident164 Ų16494.7 Ų94.771%0.71350%0.503SS*.PPolyproline II helixtrans-53.7127.8173.3-70.4-160177.8-169.60110.6I1995 K2002I1995-K1997 PolarHBondContact O-N 3Å; K1997-K2002 VanDerWaalsContact O-CE 3.27Å; K1997-K2002 WeakPolarHBondContact O-CE 3.23Å
1998G69Low73.7Confident15 Ų1595.5 Ų95.516%0.15550%0.503CS..PPolyproline II helixtrans-51.1148.3-176.400000113.4D1409 P1996 L2000 V2001 K2002D1409-G1998 WeakPolarHBondContact OD1-CA 3.44Å; P1996-G1998 PolarHBondContact O-N 3.36Å; G1998-L2000 VanDerWaalsContact C-N 3.27Å; G1998-L2000 PolarHBondContact O-N 2.76Å; G1998-V2001 PolarHBondContact O-N 3.15Å; G1998-K2002 PolarHBondContact O-N 3.23Å
1999K77.9Confident74Confident142 Ų14298.6 Ų98.662%0.61751%0.514SS*.Hα-helixtrans-63.9-37.8-170.8-68.5167.5-173.9159.20111.1D1409 V2001 K2002 Y2003D1409-K1999 PolarHBondContact OD1-N 3.07Å; K1999-V2001 PolarHBondContact O-N 3.02Å; K1999-K2002 PolarHBondContact O-N 3.36Å; K1999-Y2003 HydrophobicContact CB-CE2 4.36Å; K1999-Y2003 WeakPolarHBondContact O-CD2 3.12Å; K1999-Y2003 PolarHBondContact O-N 2.82Å; K1999-Y2003 VanDerWaalsContact O-N 3.16Å
2000L70.2Confident74.4Confident65 Ų65100.8 Ų100.834%0.3453%0.528SS..Hα-helixtrans-61.4-43.2-179.5-170.7148.7000112.1L1410 G1998 K2002 Y2003 M2004L1410-L2000 HydrophobicContact CD1-CD1 3.77Å; L1410-L2000 HydrophobicContact CG-CD1 4.34Å; G1998-L2000 VanDerWaalsContact C-N 3.27Å; G1998-L2000 PolarHBondContact O-N 2.76Å; L2000-K2002 VanDerWaalsContact C-N 3.32Å; L2000-K2002 PolarHBondContact O-N 3.23Å; L2000-Y2003 PolarHBondContact O-N 3.23Å; L2000-M2004 HydrophobicContact CD2-CG 3.74Å; L2000-M2004 HydrophobicContact CG-CG 4.28Å; L2000-M2004 WeakPolarHBondContact O-CB 3.46Å; L2000-M2004 VanDerWaalsContact O-CG 3.32Å; L2000-M2004 WeakPolarHBondContact O-CG 3.46Å; L2000-M2004 PolarHBondContact O-N 3.39Å
2001V72.8Confident74.9Confident65 Ų65102.8 Ų102.839%0.39454%0.537SS..Hα-helixtrans-62.4-39.9178.6-179.50000111.3G1998 K1999 M2005G1998-V2001 PolarHBondContact O-N 3.15Å; K1999-V2001 PolarHBondContact O-N 3.02Å; V2001-M2005 WeakPolarHBondContact O-CB 3.44Å; V2001-M2005 PolarHBondContact O-N 3.25Å
2002K78.2Confident75.2Confident128 Ų128101.1 Ų101.156%0.55753%0.527SS*.Hα-helixtrans-63.8-44.6177.1-65.6-179.2179.8175.60112K1997 G1998 K1999 L2000 G2006K1997-K2002 VanDerWaalsContact O-CE 3.27Å; K1997-K2002 WeakPolarHBondContact O-CE 3.23Å; G1998-K2002 PolarHBondContact O-N 3.23Å; K1999-K2002 PolarHBondContact O-N 3.36Å; L2000-K2002 VanDerWaalsContact C-N 3.32Å; L2000-K2002 PolarHBondContact O-N 3.23Å; K2002-G2006 PolarHBondContact O-N 3.31Å
2003Y79.6Confident75.7Confident164 Ų164102.7 Ų102.764%0.64354%0.535SS*.Hα-helixtrans-68.4-46.1177.2-68.9-59.2000112K1999 L2000 M2005 G2006 F2007K1999-Y2003 HydrophobicContact CB-CE2 4.36Å; K1999-Y2003 WeakPolarHBondContact O-CD2 3.12Å; K1999-Y2003 PolarHBondContact O-N 2.82Å; K1999-Y2003 VanDerWaalsContact O-N 3.16Å; L2000-Y2003 PolarHBondContact O-N 3.23Å; Y2003-M2005 VanDerWaalsContact C-N 3.29Å; Y2003-M2005 PolarHBondContact O-N 3.41Å; Y2003-G2006 PolarHBondContact O-N 2.98Å; Y2003-F2007 WeakPolarHBondContact O-CB 3.48Å; Y2003-F2007 PolarHBondContact O-N 3.46Å
2004M73.9Confident76.2Confident133 Ų13394.1 Ų94.166%0.65551%0.511SS*.Hα-helixtrans-64.4-29.7-179.3-70.9-61.4-67.300113.6L2000 P2008L2000-M2004 HydrophobicContact CD2-CG 3.74Å; L2000-M2004 HydrophobicContact CG-CG 4.28Å; L2000-M2004 WeakPolarHBondContact O-CB 3.46Å; L2000-M2004 VanDerWaalsContact O-CG 3.32Å; L2000-M2004 WeakPolarHBondContact O-CG 3.46Å; L2000-M2004 PolarHBondContact O-N 3.39Å; M2004-P2008 VanDerWaalsContact O-CD 3.22Å; M2004-P2008 WeakPolarHBondContact O-CD 3.45Å; M2004-P2008 VanDerWaalsContact O-CG 3.27Å; M2004-P2008 WeakPolarHBondContact O-CG 3.36Å
2005M77.1Confident76.6Confident142 Ų14295.3 Ų95.370%0.750%0.498SS*.Hα-helixtrans-85.6-45.4174.9-170.7178.2-179.600112.5V2001 Y2003 I2009V2001-M2005 WeakPolarHBondContact O-CB 3.44Å; V2001-M2005 PolarHBondContact O-N 3.25Å; Y2003-M2005 VanDerWaalsContact C-N 3.29Å; Y2003-M2005 PolarHBondContact O-N 3.41Å; M2005-I2009 VanDerWaalsContact O-CD1 3.3Å; M2005-I2009 WeakPolarHBondContact O-CD1 3.22Å; M2005-I2009 WeakPolarHBondContact O-CG1 3.32Å
2006G79Confident77Confident28 Ų2895.2 Ų95.229%0.28949%0.494SS..Hα-helixtrans-81.4-40.5-172.600000114.9K2002 Y2003 I2009 I2010K2002-G2006 PolarHBondContact O-N 3.31Å; Y2003-G2006 PolarHBondContact O-N 2.98Å; G2006-I2009 PolarHBondContact O-N 3.18Å; G2006-I2010 WeakPolarHBondContact O-CG1 3.4Å; G2006-I2010 PolarHBondContact O-N 3.25Å; G2006-I2010 VanDerWaalsContact O-N 3.12Å
2007F81.5Confident77.5Confident127 Ų12793.5 Ų93.556%0.55748%0.479SS*.Hα-helixtrans-67.5-41.9-173.1-173.3-112.4000113.4Y2003 I2009 I2010 I2011Y2003-F2007 WeakPolarHBondContact O-CB 3.48Å; Y2003-F2007 PolarHBondContact O-N 3.46Å; F2007-I2009 VanDerWaalsContact C-N 3.34Å; F2007-I2009 PolarHBondContact O-N 3.07Å; F2007-I2010 PolarHBondContact O-N 3.35Å; F2007-I2011 HydrophobicContact CD1-CD1 3.81Å; F2007-I2011 HydrophobicContact CE1-CD1 3.31Å; F2007-I2011 HydrophobicContact CE1-CG1 4.35Å; F2007-I2011 HydrophobicContact CE2-CD1 4.08Å; F2007-I2011 HydrophobicContact CE2-CG1 4.43Å; F2007-I2011 HydrophobicContact CG-CD1 4.4Å; F2007-I2011 HydrophobicContact CZ-CD1 3.48Å; F2007-I2011 VanDerWaalsContact CZ-CD1 3.48Å; F2007-I2011 HydrophobicContact CZ-CG1 4.29Å; F2007-I2011 PolarHBondContact O-N 2.88Å
2008P78.1Confident77.9Confident69 Ų6991.2 Ų91.245%0.44847%0.469SS..Hα-helixtrans-65.3-35.1175.8-23.937.1000113.3M2004 I2011 G2012M2004-P2008 VanDerWaalsContact O-CD 3.22Å; M2004-P2008 WeakPolarHBondContact O-CD 3.45Å; M2004-P2008 VanDerWaalsContact O-CG 3.27Å; M2004-P2008 WeakPolarHBondContact O-CG 3.36Å; P2008-I2011 PolarHBondContact O-N 3.18Å; P2008-G2012 PolarHBondContact O-N 3.18Å
2009I78.6Confident78Confident106 Ų10693.6 Ų93.654%0.54448%0.483SS..Hα-helixtrans-63.5-46.1175.5-64.5175000110M2005 G2006 F2007 G2012 V2013M2005-I2009 VanDerWaalsContact O-CD1 3.3Å; M2005-I2009 WeakPolarHBondContact O-CD1 3.22Å; M2005-I2009 WeakPolarHBondContact O-CG1 3.32Å; G2006-I2009 PolarHBondContact O-N 3.18Å; F2007-I2009 VanDerWaalsContact C-N 3.34Å; F2007-I2009 PolarHBondContact O-N 3.07Å; I2009-G2012 PolarHBondContact O-N 3.42Å; I2009-V2013 WeakPolarHBondContact O-CG2 3.44Å; I2009-V2013 PolarHBondContact O-N 3.17Å; I2009-V2013 VanDerWaalsContact O-N 3.14Å
2010I83.3Confident77.5Confident106 Ų10689.3 Ų89.354%0.54447%0.47SS..Hα-helixtrans-62.6-47.2177.1-66.5165.9000110.8G2006 F2007 G2012 V2013 V2014G2006-I2010 WeakPolarHBondContact O-CG1 3.4Å; G2006-I2010 PolarHBondContact O-N 3.25Å; G2006-I2010 VanDerWaalsContact O-N 3.12Å; F2007-I2010 PolarHBondContact O-N 3.35Å; I2010-G2012 PolarHBondContact O-N 2.84Å; I2010-V2013 PolarHBondContact O-N 2.73Å; I2010-V2014 HydrophobicContact CG2-CG2 4.41Å; I2010-V2014 VanDerWaalsContact O-CG2 3.3Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.48Å; I2010-V2014 PolarHBondContact O-N 3.35Å
2011I83.9Confident77.5Confident68 Ų6889.9 Ų89.935%0.34947%0.473SS..Hα-helixtrans-61.1-44.2177.6-77.5-176.2000111.6F2007 P2008 V2013 V2014 I2015F2007-I2011 HydrophobicContact CD1-CD1 3.81Å; F2007-I2011 HydrophobicContact CE1-CD1 3.31Å; F2007-I2011 HydrophobicContact CE1-CG1 4.35Å; F2007-I2011 HydrophobicContact CE2-CD1 4.08Å; F2007-I2011 HydrophobicContact CE2-CG1 4.43Å; F2007-I2011 HydrophobicContact CG-CD1 4.4Å; F2007-I2011 HydrophobicContact CZ-CD1 3.48Å; F2007-I2011 VanDerWaalsContact CZ-CD1 3.48Å; F2007-I2011 HydrophobicContact CZ-CG1 4.29Å; F2007-I2011 PolarHBondContact O-N 2.88Å; P2008-I2011 PolarHBondContact O-N 3.18Å; I2011-V2013 VanDerWaalsContact C-N 3.32Å; I2011-V2013 PolarHBondContact O-N 3.48Å; I2011-V2014 PolarHBondContact O-N 2.98Å; I2011-I2015 HydrophobicContact CG2-CD1 3.52Å; I2011-I2015 HydrophobicContact CG2-CG1 4.11Å; I2011-I2015 WeakPolarHBondContact O-CB 3.34Å; I2011-I2015 WeakPolarHBondContact O-CG1 3.07Å; I2011-I2015 PolarHBondContact O-N 2.96Å
2012G75.9Confident77.4Confident41 Ų4191.6 Ų91.642%0.42348%0.479SS..Hα-helixtrans-58.1-44.4178.600000112.2P2008 I2009 I2010 F2016P2008-G2012 PolarHBondContact O-N 3.18Å; I2009-G2012 PolarHBondContact O-N 3.42Å; I2010-G2012 PolarHBondContact O-N 2.84Å; G2012-F2016 VanDerWaalsContact O-CB 3.31Å; G2012-F2016 WeakPolarHBondContact O-CB 3.39Å; G2012-F2016 PolarHBondContact O-N 3.37Å
2013V79.9Confident76.7Confident72 Ų7290.4 Ų90.444%0.43648%0.478SS..Hα-helixtrans-64.6-43.5175.2173.30000111.7I2009 I2010 I2011 F2016 I2017I2009-V2013 WeakPolarHBondContact O-CG2 3.44Å; I2009-V2013 PolarHBondContact O-N 3.17Å; I2009-V2013 VanDerWaalsContact O-N 3.14Å; I2010-V2013 PolarHBondContact O-N 2.73Å; I2011-V2013 VanDerWaalsContact C-N 3.32Å; I2011-V2013 PolarHBondContact O-N 3.48Å; V2013-F2016 PolarHBondContact O-N 3.31Å; V2013-I2017 HydrophobicContact CG1-CD1 3.8Å; V2013-I2017 WeakPolarHBondContact O-CG1 3.33Å; V2013-I2017 PolarHBondContact O-N 2.9Å; V2013-I2017 VanDerWaalsContact O-N 3.07Å
2014V82.1Confident76.1Confident71 Ų7188.7 Ų88.743%0.4347%0.471SS..Hα-helixtrans-64.6-47.1179.1169.90000111.6I2010 I2011 F2016 I2017 F2018I2010-V2014 HydrophobicContact CG2-CG2 4.41Å; I2010-V2014 VanDerWaalsContact O-CG2 3.3Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.48Å; I2010-V2014 PolarHBondContact O-N 3.35Å; I2011-V2014 PolarHBondContact O-N 2.98Å; V2014-F2016 VanDerWaalsContact C-N 3.32Å; V2014-F2016 PolarHBondContact O-N 3.48Å; V2014-I2017 PolarHBondContact O-N 2.93Å; V2014-F2018 HydrophobicContact CG1-CD2 3.85Å; V2014-F2018 HydrophobicContact CG1-CE2 4.22Å; V2014-F2018 WeakPolarHBondContact O-CD2 3.49Å; V2014-F2018 PolarHBondContact O-N 3.27Å
2015I78.9Confident75.8Confident105 Ų10586 Ų8654%0.53847%0.465SS..Hα-helixtrans-60.2-44.5176.4-69.4174.7000110I2011 I2017 F2018 S2019I2011-I2015 HydrophobicContact CG2-CD1 3.52Å; I2011-I2015 HydrophobicContact CG2-CG1 4.11Å; I2011-I2015 WeakPolarHBondContact O-CB 3.34Å; I2011-I2015 WeakPolarHBondContact O-CG1 3.07Å; I2011-I2015 PolarHBondContact O-N 2.96Å; I2015-I2017 VanDerWaalsContact C-N 3.35Å; I2015-I2017 PolarHBondContact O-N 3.27Å; I2015-F2018 PolarHBondContact O-N 3.5Å; I2015-S2019 WeakPolarHBondContact O-CA 3.46Å; I2015-S2019 WeakPolarHBondContact O-CB 3.27Å; I2015-S2019 PolarHBondContact O-N 2.75Å
2016F75.9Confident75.1Confident85 Ų8584 Ų8437%0.37346%0.457SS..Hα-helixtrans-62.4-39.6-179.3-168.1-92.9000113.1G2012 V2013 V2014 P2020 V2323 V2327G2012-F2016 VanDerWaalsContact O-CB 3.31Å; G2012-F2016 WeakPolarHBondContact O-CB 3.39Å; G2012-F2016 PolarHBondContact O-N 3.37Å; V2013-F2016 PolarHBondContact O-N 3.31Å; V2014-F2016 VanDerWaalsContact C-N 3.32Å; V2014-F2016 PolarHBondContact O-N 3.48Å; F2016-P2020 WeakPolarHBondContact O-CD 3.37Å; F2016-V2323 HydrophobicContact CE1-CG1 4.01Å; F2016-V2323 HydrophobicContact CE2-CG1 4.48Å; F2016-V2323 HydrophobicContact CZ-CG1 3.48Å; F2016-V2323 VanDerWaalsContact CZ-CG1 3.48Å; F2016-V2327 HydrophobicContact CD1-CB 4.47Å; F2016-V2327 HydrophobicContact CD1-CG1 4.12Å; F2016-V2327 HydrophobicContact CE1-CB 3.67Å; F2016-V2327 HydrophobicContact CE1-CG1 3.79Å; F2016-V2327 HydrophobicContact CE1-CG2 3.68Å; F2016-V2327 HydrophobicContact CE2-CG2 4.12Å; F2016-V2327 HydrophobicContact CZ-CB 3.9Å; F2016-V2327 HydrophobicContact CZ-CG1 4.15Å; F2016-V2327 HydrophobicContact CZ-CG2 3.33Å
2017I79.2Confident74.1Confident68 Ų6884.6 Ų84.635%0.34945%0.453SS..Hα-helixtrans-70.5-45177.9-67.9167.2000111.5V2013 V2014 I2015V2013-I2017 HydrophobicContact CG1-CD1 3.8Å; V2013-I2017 WeakPolarHBondContact O-CG1 3.33Å; V2013-I2017 PolarHBondContact O-N 2.9Å; V2013-I2017 VanDerWaalsContact O-N 3.07Å; V2014-I2017 PolarHBondContact O-N 2.93Å; I2015-I2017 VanDerWaalsContact C-N 3.35Å; I2015-I2017 PolarHBondContact O-N 3.27Å
2018F80.5Confident73.1Confident116 Ų11683 Ų8351%0.50945%0.45SS..Hα-helixtrans-88.7-23.9-173.1-74.1-70.9000114.9V2014 I2015 L2021 L2022V2014-F2018 HydrophobicContact CG1-CD2 3.85Å; V2014-F2018 HydrophobicContact CG1-CE2 4.22Å; V2014-F2018 WeakPolarHBondContact O-CD2 3.49Å; V2014-F2018 PolarHBondContact O-N 3.27Å; I2015-F2018 PolarHBondContact O-N 3.5Å; F2018-L2021 HydrophobicContact CD1-CD1 4.38Å; F2018-L2021 WeakPolarHBondContact O-CB 3.38Å; F2018-L2021 PolarHBondContact O-N 2.89Å; F2018-L2021 VanDerWaalsContact O-N 3.1Å; F2018-L2022 PolarHBondContact O-N 3.47Å
2019S71Confident72.3Confident64 Ų6487.7 Ų87.745%0.44847%0.466SS..Hα-helixtrans-54.7-43.7-175.8-177.80000113.5I2015 L2021 L2022 L2023I2015-S2019 WeakPolarHBondContact O-CA 3.46Å; I2015-S2019 WeakPolarHBondContact O-CB 3.27Å; I2015-S2019 PolarHBondContact O-N 2.75Å; S2019-L2021 PolarHBondContact O-N 2.87Å; S2019-L2022 PolarHBondContact O-N 3.42Å; S2019-L2023 VanDerWaalsContact O-CB 3.3Å; S2019-L2023 WeakPolarHBondContact O-CB 3.31Å; S2019-L2023 PolarHBondContact O-N 3.42Å
2020P68Low71.6Confident53 Ų5387.1 Ų87.134%0.34446%0.463SS..Hα-helixtrans-66.7-34.9177.9-2235.2000113.6F2016 W2024 Y2320F2016-P2020 WeakPolarHBondContact O-CD 3.37Å; P2020-W2024 WeakPolarHBondContact O-CB 3.37Å; P2020-W2024 PolarHBondContact O-N 3.38Å; P2020-Y2320 HydrophobicContact CB-CD2 3.65Å; P2020-Y2320 HydrophobicContact CB-CE2 3.93Å; P2020-Y2320 HydrophobicContact CG-CD2 3.9Å; P2020-Y2320 HydrophobicContact CG-CE2 4.01Å
2021L70.8Confident70.7Confident77 Ų7783.3 Ų83.340%0.40345%0.45SS..Hα-helixtrans-68-43.7176.1-83.3156.7000111.6F2018 S2019 W2024 S2025F2018-L2021 HydrophobicContact CD1-CD1 4.38Å; F2018-L2021 WeakPolarHBondContact O-CB 3.38Å; F2018-L2021 PolarHBondContact O-N 2.89Å; F2018-L2021 VanDerWaalsContact O-N 3.1Å; S2019-L2021 PolarHBondContact O-N 2.87Å; L2021-W2024 PolarHBondContact O-N 2.72Å; L2021-S2025 PolarHBondContact O-N 3.36Å; L2021-S2025 VanDerWaalsContact O-N 3.1Å
2022L70.3Confident69.9Low100 Ų10082.8 Ų82.852%0.52445%0.45SS..Hα-helixtrans-64.9-43176.6-119.3163.4000111.3F2018 S2019 W2024 S2025 L2026F2018-L2022 PolarHBondContact O-N 3.47Å; S2019-L2022 PolarHBondContact O-N 3.42Å; L2022-W2024 VanDerWaalsContact C-N 3.34Å; L2022-W2024 PolarHBondContact O-N 2.71Å; L2022-S2025 PolarHBondContact O-N 2.81Å; L2022-L2026 HydrophobicContact CD2-CD1 3.87Å; L2022-L2026 HydrophobicContact CD2-CG 4.39Å; L2022-L2026 WeakPolarHBondContact O-CG 3.34Å; L2022-L2026 PolarHBondContact O-N 3.36Å; L2022-L2026 VanDerWaalsContact O-N 3.15Å
2023L64.1Low69.6Low103 Ų10383.4 Ų83.454%0.53944%0.443SS..Hα-helixtrans-60.6-43.9175.6-159.683.7000111S2019 L2026 L2027S2019-L2023 VanDerWaalsContact O-CB 3.3Å; S2019-L2023 WeakPolarHBondContact O-CB 3.31Å; S2019-L2023 PolarHBondContact O-N 3.42Å; L2023-L2026 PolarHBondContact O-N 2.8Å; L2023-L2027 HydrophobicContact CD2-CD1 3.9Å; L2023-L2027 HydrophobicContact CG-CD1 3.7Å; L2023-L2027 HydrophobicContact CG-CG 4.26Å; L2023-L2027 WeakPolarHBondContact O-CB 3.47Å; L2023-L2027 WeakPolarHBondContact O-CG 3.28Å; L2023-L2027 PolarHBondContact O-N 3.45Å
2024W66.2Low69.2Low128 Ų12880.5 Ų80.549%0.48543%0.426SS..Hα-helixtrans-64.3-42.1178.5-176.534.9000113P2020 L2021 L2022 L2026 N2028 F2312P2020-W2024 WeakPolarHBondContact O-CB 3.37Å; P2020-W2024 PolarHBondContact O-N 3.38Å; L2021-W2024 PolarHBondContact O-N 2.72Å; L2022-W2024 VanDerWaalsContact C-N 3.34Å; L2022-W2024 PolarHBondContact O-N 2.71Å; W2024-L2026 VanDerWaalsContact C-N 3.32Å; W2024-L2026 PolarHBondContact O-N 2.9Å; W2024-N2028 PolarHBondContact NE1-ND2 3.05Å; W2024-N2028 PolarHBondContact NE1-OD1 2.95Å; W2024-N2028 PolarHBondContact O-N 3.09Å; W2024-F2312 AromaticContact CD1-CE1 3.91Å
2025S67.7Low68.7Low76 Ų7681.9 Ų81.953%0.53143%0.429SS..Hα-helixtrans-69.6-29.7179.995.40000113.1L2021 L2022L2021-S2025 PolarHBondContact O-N 3.36Å; L2021-S2025 VanDerWaalsContact O-N 3.1Å; L2022-S2025 PolarHBondContact O-N 2.81Å
2026L63.3Low68.6Low101 Ų10177.3 Ų77.353%0.52941%0.406SS..Hα-helixtrans-79.4-39.4177.2-69.9167.9000112.2L2022 L2023 W2024 N2028L2022-L2026 HydrophobicContact CD2-CD1 3.87Å; L2022-L2026 HydrophobicContact CD2-CG 4.39Å; L2022-L2026 WeakPolarHBondContact O-CG 3.34Å; L2022-L2026 PolarHBondContact O-N 3.36Å; L2022-L2026 VanDerWaalsContact O-N 3.15Å; L2023-L2026 PolarHBondContact O-N 2.8Å; W2024-L2026 VanDerWaalsContact C-N 3.32Å; W2024-L2026 PolarHBondContact O-N 2.9Å; L2026-N2028 PolarHBondContact O-N 3.19Å
2027L58.1Low68.7Low41 Ų4179.3 Ų79.322%0.21542%0.417CS..Hα-helixtrans-70.8-25.8-175.9-73.9173.7000114.2L2023 Q2029 I2030 L2308 F2312L2023-L2027 HydrophobicContact CD2-CD1 3.9Å; L2023-L2027 HydrophobicContact CG-CD1 3.7Å; L2023-L2027 HydrophobicContact CG-CG 4.26Å; L2023-L2027 WeakPolarHBondContact O-CB 3.47Å; L2023-L2027 WeakPolarHBondContact O-CG 3.28Å; L2023-L2027 PolarHBondContact O-N 3.45Å; L2027-Q2029 PolarHBondContact O-N 3.04Å; L2027-Q2029 VanDerWaalsContact O-N 3.07Å; L2027-I2030 HydrophobicContact CD2-CD1 4.14Å; L2027-L2308 HydrophobicContact CD1-CD2 3.96Å; L2027-L2308 HydrophobicContact CD2-CD1 4.29Å; L2027-L2308 HydrophobicContact CD2-CD2 4.11Å; L2027-F2312 HydrophobicContact CB-CZ 4.49Å; L2027-F2312 HydrophobicContact CD1-CZ 4.41Å
2028N58.5Low68.8Low93 Ų9379.2 Ų79.250%0.49741%0.414SS..THydrogen-bonded Turntrans-66.2-7-179.4-77.3-8.9000114.5W2024 L2026W2024-N2028 PolarHBondContact NE1-ND2 3.05Å; W2024-N2028 PolarHBondContact NE1-OD1 2.95Å; W2024-N2028 PolarHBondContact O-N 3.09Å; L2026-N2028 PolarHBondContact O-N 3.19Å
2029Q61.5Low69.2Low167 Ų16773.7 Ų73.778%0.7839%0.389SS*.THydrogen-bonded Turntrans-99.3-0.2-175.2-64.2-172.1-33.900114.7L2027L2027-Q2029 PolarHBondContact O-N 3.04Å; L2027-Q2029 VanDerWaalsContact O-N 3.07Å
2030I64Low70.1Confident95 Ų9571.1 Ų71.149%0.48737%0.371SS..  trans-111.355-161-39.2177.9000112.4L2027L2027-I2030 HydrophobicContact CD2-CD1 4.14Å
2031G65Low71.2Confident25 Ų2568.6 Ų68.626%0.25836%0.355SS..PPolyproline II helixtrans-97.6136.3176.800000113.3A2303G2031-A2303 WeakPolarHBondContact CA-O 3.35Å
2032T68.2Low72.1Confident58 Ų5869.6 Ų69.636%0.35635%0.353SS..BIsolated β-bridgetrans-97.6149.1-177.840.80000112.5E2160 R2302 A2303T2032-E2160 WeakPolarHBondContact CB-OE1 3.25Å; T2032-E2160 PolarHBondContact OG1-OE1 2.91Å; T2032-R2302 CarbonylContact O-C 3.46Å; T2032-R2302 WeakPolarHBondContact O-CA 3.18Å; T2032-R2302 WeakPolarHBondContact O-CB 3.21Å; T2032-A2303 PolarHBondContact N-O 3.28Å; T2032-A2303 PolarHBondContact O-N 2.95Å; T2032-A2303 PolarHBondContact OG1-O 2.78Å
2033I69.4Low73Confident53 Ų5364.8 Ų64.827%0.27233%0.328SS..PPolyproline II helixtrans-94.2116.7176.6-58.7172.5000108.7M2035 E2109 R2302I2033-M2035 HydrophobicContact CG2-CG 4.21Å; I2033-E2109 HydrophobicContact CD1-CB 3.86Å; I2033-R2302 HydrophobicContact CG1-CG 4.06Å
2034S71.3Confident74.1Confident11 Ų1160.6 Ų60.68%0.07731%0.307CS..  trans-105.696171.1390000110.3R2154S2034-R2154 PolarHBondContact OG-NH1 3.14Å
2035M71.3Confident75Confident101 Ų10154.7 Ų54.750%0.49829%0.285SS..  trans-65.6141.4178-65.5-175.4175.500111.2I2033 M2068 P2155I2033-M2035 HydrophobicContact CG2-CG 4.21Å; M2035-M2068 HydrophobicContact CE-SD 4Å; M2035-P2155 WeakPolarHBondContact O-CD 3.34Å
2036P77.2Confident75.7Confident8 Ų854.6 Ų54.65%0.05228%0.276CS..  trans-68.5133.8174.129.4-34.7000111V2039 L2066 L2112 F2152 T2153 I2300P2036-V2039 HydrophobicContact CB-CG2 4.33Å; P2036-V2039 HydrophobicContact CG-CG2 4.34Å; P2036-L2066 HydrophobicContact CG-CD2 4.26Å; P2036-L2066 WeakPolarHBondContact O-CD2 3.24Å; P2036-L2112 HydrophobicContact CG-CD2 3.54Å; P2036-F2152 HydrophobicContact CB-CD1 4.1Å; P2036-F2152 HydrophobicContact CG-CD1 4.02Å; P2036-T2153 CarbonylContact C-O 3.55Å; P2036-T2153 WeakPolarHBondContact CA-O 3.38Å; P2036-T2153 WeakPolarHBondContact CB-O 3.25Å; P2036-I2300 HydrophobicContact CG-CD1 4.39Å
2037E77Confident76.4Confident128 Ų12853.3 Ų53.360%0.59829%0.287SS*.SBendtrans-70.6-39.3179.3-177.7-178.3166.700111.4T2153E2037-T2153 PolarHBondContact N-O 3.43Å
2038K82.4Confident77.7Confident65 Ų6553.4 Ų53.428%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-151.5155.7176.157.7172177.81760111.9E2055 A2056 Q2057 T2153K2038-E2055 HydrophobicContact CB-CG 4.15Å; K2038-E2055 HydrophobicContact CD-CG 4.02Å; K2038-E2055 WeakPolarHBondContact CD-OE1 3.12Å; K2038-E2055 WeakPolarHBondContact CD-OE2 3.46Å; K2038-E2055 IonicContact NZ-OE1 2.77Å; K2038-E2055 PolarHBondContact NZ-OE1 3.45Å; K2038-E2055 VanDerWaalsContact NZ-OE1 3.14Å; K2038-E2055 IonicContact NZ-OE2 3.63Å; K2038-E2055 PolarHBondContact NZ-OE2 3.11Å; K2038-A2056 WeakPolarHBondContact CA-O 3.16Å; K2038-Q2057 HydrophobicContact CB-CG 4.41Å; K2038-T2153 HydrophobicContact CG-CG2 4.31Å; K2038-T2153 WeakPolarHBondContact CG-OG1 3.32Å; K2038-T2153 PolarHBondContact O-N 3.09Å; K2038-T2153 PolarHBondContact O-OG1 2.91Å
2039V88.4Confident78.9Confident0 Ų050.9 Ų50.90%027%0.273CS..EExtended strand (participates in β ladder)trans-129.9122.4176-168.80000108.2P2036 A2056 L2066 V2114 F2116 L2150 E2151 F2152P2036-V2039 HydrophobicContact CB-CG2 4.33Å; P2036-V2039 HydrophobicContact CG-CG2 4.34Å; V2039-A2056 PolarHBondContact N-O 3.09Å; V2039-A2056 PolarHBondContact O-N 3.28Å; V2039-L2066 HydrophobicContact CG2-CD2 4.39Å; V2039-V2114 HydrophobicContact CB-CG1 4.01Å; V2039-V2114 HydrophobicContact CG1-CG1 4.19Å; V2039-V2114 HydrophobicContact CG2-CG1 4.3Å; V2039-V2114 HydrophobicContact CG2-CG2 4.14Å; V2039-F2116 HydrophobicContact CB-CE1 4.42Å; V2039-F2116 HydrophobicContact CB-CZ 4.43Å; V2039-F2116 HydrophobicContact CG1-CE1 4.23Å; V2039-F2116 HydrophobicContact CG1-CZ 3.85Å; V2039-L2150 HydrophobicContact CG1-CD1 3.75Å; V2039-L2150 HydrophobicContact CG1-CG 4.46Å; V2039-E2151 WeakPolarHBondContact CA-O 3.28Å; V2039-F2152 HydrophobicContact CB-CD1 4.35Å; V2039-F2152 HydrophobicContact CG1-CD1 3.92Å; V2039-F2152 HydrophobicContact CG1-CD2 4.12Å; V2039-F2152 HydrophobicContact CG1-CE1 3.93Å; V2039-F2152 HydrophobicContact CG1-CE2 4.16Å; V2039-F2152 HydrophobicContact CG1-CG 4.02Å; V2039-F2152 HydrophobicContact CG1-CZ 4.06Å; V2039-F2152 HydrophobicContact CG2-CD1 3.46Å; V2039-F2152 VanDerWaalsContact CG2-CD1 3.46Å; V2039-F2152 HydrophobicContact CG2-CE1 3.71Å; V2039-F2152 HydrophobicContact CG2-CG 4.19Å
2040T90Very high80.1Confident11 Ų1144.6 Ų44.67%0.06725%0.247CC..EExtended strand (participates in β ladder)trans-109.5125.7-179.151.70000110.4E2055 E2151T2040-E2055 HydrophobicContact CG2-CB 4.03Å; T2040-E2055 HydrophobicContact CG2-CG 3.69Å; T2040-E2055 WeakPolarHBondContact CG2-OE2 3.23Å; T2040-E2151 PolarHBondContact N-O 3.25Å; T2040-E2151 PolarHBondContact O-N 3.24Å; T2040-E2151 WeakPolarHBondContact OG1-CB 3.43Å; T2040-E2151 PolarHBondContact OG1-O 2.94Å
2041L90.8Very high81.1Confident0 Ų040.1 Ų40.10%022%0.224CC..EExtended strand (participates in β ladder)trans-109.2125.7171.7176.462000109.3I2043 Y2052 M2054 F2116 V2148 L2150 I2202 L2294L2041-I2043 HydrophobicContact CG-CG1 4.48Å; L2041-Y2052 HydrophobicContact CD2-CE1 4.06Å; L2041-Y2052 HydrophobicContact CG-CE1 4.24Å; L2041-M2054 PolarHBondContact N-O 3.08Å; L2041-M2054 PolarHBondContact O-N 3.04Å; L2041-M2054 VanDerWaalsContact O-N 3.09Å; L2041-F2116 HydrophobicContact CB-CD1 3.8Å; L2041-F2116 HydrophobicContact CB-CD2 4.25Å; L2041-F2116 HydrophobicContact CB-CE1 3.58Å; L2041-F2116 HydrophobicContact CB-CE2 4.05Å; L2041-F2116 HydrophobicContact CB-CG 4.14Å; L2041-F2116 HydrophobicContact CB-CZ 3.72Å; L2041-F2116 HydrophobicContact CD2-CD1 4.5Å; L2041-F2116 HydrophobicContact CD2-CD2 3.66Å; L2041-F2116 HydrophobicContact CD2-CE2 3.93Å; L2041-F2116 HydrophobicContact CD2-CG 3.99Å; L2041-F2116 HydrophobicContact CD2-CZ 4.45Å; L2041-V2148 HydrophobicContact CD1-CG1 3.84Å; L2041-L2150 HydrophobicContact CB-CD1 4.12Å; L2041-L2150 HydrophobicContact CD1-CD1 4.22Å; L2041-I2202 HydrophobicContact CD1-CD1 4.01Å; L2041-I2202 HydrophobicContact CD2-CD1 3.76Å; L2041-L2294 HydrophobicContact CD2-CD2 3.48Å; L2041-L2294 VanDerWaalsContact CD2-CD2 3.48Å; L2041-L2294 HydrophobicContact CD2-CG 4.17Å
2042R90.6Very high82.2Confident97 Ų9739 Ų3937%0.36621%0.212SC..EExtended strand (participates in β ladder)trans-123.2140.1174.1-56174.1161.1142.60.8110.4Y2052 E2053 S2149R2042-Y2052 WeakPolarHBondContact CA-O 3.37Å; R2042-E2053 HydrophobicContact CG-CG 4.11Å; R2042-E2053 IonicContact CZ-OE1 3.19Å; R2042-E2053 IonicContact NE-OE1 3.41Å; R2042-E2053 PolarHBondContact NE-OE1 3.3Å; R2042-E2053 IonicContact NE-OE2 3.7Å; R2042-E2053 IonicContact NH2-OE1 2.73Å; R2042-E2053 PolarHBondContact NH2-OE1 2.82Å; R2042-S2149 WeakPolarHBondContact CB-OG 3.43Å; R2042-S2149 PolarHBondContact N-O 3.42Å; R2042-S2149 PolarHBondContact O-N 3.45Å
2043I89.2Confident83.3Confident0 Ų037.8 Ų37.80%020%0.203CC..EExtended strand (participates in β ladder)trans-128.1115.9179.9-60.2178.3000107L2041 P2050 L2051 Y2052 F2146 L2250 L2252 A2267L2041-I2043 HydrophobicContact CG-CG1 4.48Å; I2043-P2050 CarbonylContact O-C 3.46Å; I2043-P2050 WeakPolarHBondContact O-CA 3.38Å; I2043-L2051 PolarHBondContact O-N 3.46Å; I2043-Y2052 HydrophobicContact CB-CD1 4.35Å; I2043-Y2052 HydrophobicContact CD1-CD1 3.61Å; I2043-Y2052 HydrophobicContact CD1-CE1 4.17Å; I2043-Y2052 HydrophobicContact CD1-CG 4.22Å; I2043-Y2052 HydrophobicContact CG1-CD1 3.92Å; I2043-Y2052 PolarHBondContact N-O 2.86Å; I2043-Y2052 PolarHBondContact O-N 2.94Å; I2043-F2146 HydrophobicContact CG2-CE1 3.56Å; I2043-F2146 HydrophobicContact CG2-CE2 3.88Å; I2043-F2146 HydrophobicContact CG2-CZ 3.1Å; I2043-L2250 HydrophobicContact CD1-CD1 3.56Å; I2043-L2250 HydrophobicContact CD1-CD2 4.05Å; I2043-L2250 HydrophobicContact CD1-CG 4.46Å; I2043-L2252 HydrophobicContact CG2-CD1 4.33Å; I2043-A2267 HydrophobicContact CD1-CB 4.45Å
2044S86.7Confident84.2Confident14 Ų1435.4 Ų35.410%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-137.2160.6-171.460.30000112.1E2147S2044-E2147 PolarHBondContact N-O 2.87Å; S2044-E2147 PolarHBondContact O-N 3.01Å; S2044-E2147 PolarHBondContact OG-O 3.46Å
2045I85.2Confident85Confident4 Ų436.8 Ų36.82%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-101.2132.5166.3-67.4170.3000106.4G2047 Y2048 L2051 M2134 V2144 F2146I2045-G2047 PolarHBondContact O-N 2.8Å; I2045-Y2048 HydrophobicContact CB-CD2 4.3Å; I2045-Y2048 HydrophobicContact CG2-CD2 3.9Å; I2045-Y2048 HydrophobicContact CG2-CE2 4.45Å; I2045-Y2048 PolarHBondContact O-N 3.19Å; I2045-L2051 HydrophobicContact CD1-CD1 3.93Å; I2045-L2051 HydrophobicContact CD1-CD2 4.5Å; I2045-L2051 HydrophobicContact CG1-CD1 3.94Å; I2045-M2134 HydrophobicContact CB-CE 4.13Å; I2045-M2134 HydrophobicContact CD1-CE 3.96Å; I2045-M2134 HydrophobicContact CD1-SD 3.72Å; I2045-V2144 HydrophobicContact CG2-CG1 3.39Å; I2045-F2146 HydrophobicContact CG1-CD2 4.03Å; I2045-F2146 HydrophobicContact CG1-CE2 4.47Å
2046E81.2Confident85.6Confident75 Ų7532 Ų3235%0.3517%0.172SC..THydrogen-bonded Turntrans-51.1112.9-172.4-174.5-174.7-177.200113K2137 N2145E2046-K2137 PolarHBondContact O-NZ 3.15Å; E2046-K2137 VanDerWaalsContact O-NZ 3.12Å; E2046-N2145 HydrophobicContact CB-CB 4.28Å; E2046-N2145 WeakPolarHBondContact CB-O 3.49Å; E2046-N2145 PolarHBondContact N-O 2.9Å; E2046-N2145 VanDerWaalsContact OE2-CB 3.29Å; E2046-N2145 WeakPolarHBondContact OE2-CB 3.43Å; E2046-N2145 PolarHBondContact OE2-N 3.23Å; E2046-N2145 PolarHBondContact OE2-ND2 2.9Å
2047G79Confident85.5Confident73 Ų7336.4 Ų36.475%0.75319%0.192SC*.THydrogen-bonded Turntrans92.111.5-178.800000116I2045I2045-G2047 PolarHBondContact O-N 2.8Å
2048Y85.2Confident84.8Confident43 Ų4331.8 Ų31.817%0.16918%0.179CC..SBendtrans-129.1160.7178.8-65.3-77000112.7I2045 S2130 A2133 M2134 K2137I2045-Y2048 HydrophobicContact CB-CD2 4.3Å; I2045-Y2048 HydrophobicContact CG2-CD2 3.9Å; I2045-Y2048 HydrophobicContact CG2-CE2 4.45Å; I2045-Y2048 PolarHBondContact O-N 3.19Å; Y2048-S2130 VanDerWaalsContact CE1-O 3.32Å; Y2048-S2130 WeakPolarHBondContact CE1-O 3.41Å; Y2048-A2133 PolarHBondContact OH-O 3.33Å; Y2048-M2134 HydrophobicContact CD1-CB 4.22Å; Y2048-M2134 HydrophobicContact CD1-CE 3.85Å; Y2048-M2134 HydrophobicContact CD2-CB 4.39Å; Y2048-M2134 HydrophobicContact CD2-CE 3.58Å; Y2048-M2134 HydrophobicContact CD2-CG 4.21Å; Y2048-M2134 HydrophobicContact CE1-CB 3.83Å; Y2048-M2134 HydrophobicContact CE2-CB 3.98Å; Y2048-M2134 HydrophobicContact CE2-CE 4.32Å; Y2048-M2134 HydrophobicContact CE2-CG 4.04Å; Y2048-M2134 HydrophobicContact CG-CE 3.3Å; Y2048-M2134 WeakPolarHBondContact OH-CA 3.37Å; Y2048-M2134 PolarHBondContact OH-N 3.01Å; Y2048-K2137 HydrophobicContact CE2-CD 3.93Å
2049P84.5Confident83.4Confident40 Ų4034.3 Ų34.326%0.2621%0.205SC..  trans-55.5146.7174.1-24.134.1000112.3L2051 P2125P2049-L2051 PolarHBondContact O-N 3.21Å; P2049-P2125 HydrophobicContact CB-CG 4.05Å
2050P85.3Confident81.6Confident35 Ų3539.6 Ų39.623%0.22723%0.233CC..  trans-57.7134.8-179.224.9-33.5000110.5I2043 E2053 W2124I2043-P2050 CarbonylContact O-C 3.46Å; I2043-P2050 WeakPolarHBondContact O-CA 3.38Å; P2050-E2053 HydrophobicContact CG-CB 4.43Å; P2050-W2124 VanDerWaalsContact O-CD1 3.24Å
2051L85.3Confident79.8Confident2 Ų248.3 Ų48.31%0.0127%0.273CS..SBendtrans-69.3-43173-60.7170.1000109.4I2043 I2045 P2049 W2124 F2146 L2252 W2265I2043-L2051 PolarHBondContact O-N 3.46Å; I2045-L2051 HydrophobicContact CD1-CD1 3.93Å; I2045-L2051 HydrophobicContact CD1-CD2 4.5Å; I2045-L2051 HydrophobicContact CG1-CD1 3.94Å; P2049-L2051 PolarHBondContact O-N 3.21Å; L2051-W2124 HydrophobicContact CD2-CD2 4.44Å; L2051-W2124 HydrophobicContact CD2-CZ2 3.66Å; L2051-F2146 HydrophobicContact CD1-CE2 3.87Å; L2051-L2252 HydrophobicContact CB-CD1 4.45Å; L2051-L2252 HydrophobicContact CD1-CD1 3.75Å; L2051-W2265 HydrophobicContact CB-CD2 4.44Å; L2051-W2265 HydrophobicContact CB-CG 4.15Å; L2051-W2265 HydrophobicContact CD2-CZ2 3.86Å; L2051-W2265 WeakPolarHBondContact O-CB 3.25Å
2052Y88.8Confident77.8Confident0 Ų055.1 Ų55.10%031%0.309CS..EExtended strand (participates in β ladder)trans-135130.7179.9165.7-79000109.1L2041 R2042 I2043 M2054 F2116 R2117 A2267 L2294L2041-Y2052 HydrophobicContact CD2-CE1 4.06Å; L2041-Y2052 HydrophobicContact CG-CE1 4.24Å; R2042-Y2052 WeakPolarHBondContact CA-O 3.37Å; I2043-Y2052 HydrophobicContact CB-CD1 4.35Å; I2043-Y2052 HydrophobicContact CD1-CD1 3.61Å; I2043-Y2052 HydrophobicContact CD1-CE1 4.17Å; I2043-Y2052 HydrophobicContact CD1-CG 4.22Å; I2043-Y2052 HydrophobicContact CG1-CD1 3.92Å; I2043-Y2052 PolarHBondContact N-O 2.86Å; I2043-Y2052 PolarHBondContact O-N 2.94Å; Y2052-M2054 HydrophobicContact CE1-CB 3.84Å; Y2052-M2054 HydrophobicContact CE2-CB 4.46Å; Y2052-M2054 WeakPolarHBondContact OH-CB 3.17Å; Y2052-F2116 VanDerWaalsContact OH-CB 3.31Å; Y2052-F2116 WeakPolarHBondContact OH-CB 3.32Å; Y2052-R2117 WeakPolarHBondContact CE2-O 3.28Å; Y2052-R2117 PolarHBondContact OH-O 3.47Å; Y2052-A2267 HydrophobicContact CD1-CB 4.47Å; Y2052-A2267 HydrophobicContact CD2-CB 3.67Å; Y2052-A2267 HydrophobicContact CE2-CB 3.74Å; Y2052-A2267 HydrophobicContact CG-CB 4.05Å; Y2052-L2294 HydrophobicContact CE1-CD2 4.25Å
2053E89.7Confident76.2Confident34 Ų3454.6 Ų54.616%0.15931%0.313CS..EExtended strand (participates in β ladder)trans-135.2132.9174.3179.3158.4-160.700108.4R2042 P2050 S2120 E2121 I2122R2042-E2053 HydrophobicContact CG-CG 4.11Å; R2042-E2053 IonicContact CZ-OE1 3.19Å; R2042-E2053 IonicContact NE-OE1 3.41Å; R2042-E2053 PolarHBondContact NE-OE1 3.3Å; R2042-E2053 IonicContact NE-OE2 3.7Å; R2042-E2053 IonicContact NH2-OE1 2.73Å; R2042-E2053 PolarHBondContact NH2-OE1 2.82Å; P2050-E2053 HydrophobicContact CG-CB 4.43Å; E2053-S2120 PolarHBondContact N-OG 2.95Å; E2053-S2120 PolarHBondContact O-OG 2.95Å; E2053-E2121 WeakPolarHBondContact O-CB 3.45Å; E2053-E2121 PolarHBondContact O-N 3.46Å; E2053-I2122 HydrophobicContact CB-CD1 4.47Å; E2053-I2122 HydrophobicContact CG-CD1 4.18Å
2054M89Confident74.9Confident2 Ų257.6 Ų57.61%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-148.5125.5-178.6-179.65749.900110.2L2041 Y2052 F2116 R2117 E2119 E2121L2041-M2054 PolarHBondContact N-O 3.08Å; L2041-M2054 PolarHBondContact O-N 3.04Å; L2041-M2054 VanDerWaalsContact O-N 3.09Å; Y2052-M2054 HydrophobicContact CE1-CB 3.84Å; Y2052-M2054 HydrophobicContact CE2-CB 4.46Å; Y2052-M2054 WeakPolarHBondContact OH-CB 3.17Å; M2054-F2116 HydrophobicContact CB-CB 4.36Å; M2054-F2116 HydrophobicContact CB-CD1 4.31Å; M2054-F2116 HydrophobicContact CG-CB 3.79Å; M2054-F2116 HydrophobicContact CG-CD1 3.96Å; M2054-F2116 HydrophobicContact CG-CG 4.38Å; M2054-R2117 HydrophobicContact CE-CB 3.74Å; M2054-R2117 HydrophobicContact CE-CG 4.32Å; M2054-R2117 HydrophobicContact SD-CB 3.9Å; M2054-R2117 HydrophobicContact SD-CG 3.92Å; M2054-E2119 WeakPolarHBondContact CE-O 3.4Å; M2054-E2121 HydrophobicContact CE-CB 3.74Å; M2054-E2121 HydrophobicContact SD-CB 4.37Å
2055E87.5Confident74.2Confident40 Ų4057.9 Ų57.919%0.18734%0.338CS..EExtended strand (participates in β ladder)trans-100118.8170.4-169.2167.6125.400110.2K2038 T2040 Q2057 E2121K2038-E2055 HydrophobicContact CB-CG 4.15Å; K2038-E2055 HydrophobicContact CD-CG 4.02Å; K2038-E2055 WeakPolarHBondContact CD-OE1 3.12Å; K2038-E2055 WeakPolarHBondContact CD-OE2 3.46Å; K2038-E2055 IonicContact NZ-OE1 2.77Å; K2038-E2055 PolarHBondContact NZ-OE1 3.45Å; K2038-E2055 VanDerWaalsContact NZ-OE1 3.14Å; K2038-E2055 IonicContact NZ-OE2 3.63Å; K2038-E2055 PolarHBondContact NZ-OE2 3.11Å; T2040-E2055 HydrophobicContact CG2-CB 4.03Å; T2040-E2055 HydrophobicContact CG2-CG 3.69Å; T2040-E2055 WeakPolarHBondContact CG2-OE2 3.23Å; E2055-Q2057 HydrophobicContact CG-CG 4.01Å; E2055-Q2057 PolarHBondContact OE1-NE2 2.92Å; E2055-E2121 PolarHBondContact N-OE2 3.16Å; E2055-E2121 VanDerWaalsContact N-OE2 3.15Å
2056A84.3Confident73.8Confident1 Ų159 Ų591%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-90124.817000000109K2038 V2039 E2065 L2066 V2114 F2116K2038-A2056 WeakPolarHBondContact CA-O 3.16Å; V2039-A2056 PolarHBondContact N-O 3.09Å; V2039-A2056 PolarHBondContact O-N 3.28Å; A2056-E2065 HydrophobicContact CB-CB 4.35Å; A2056-L2066 VanDerWaalsContact C-CD1 3.45Å; A2056-L2066 HydrophobicContact CB-CD1 3.73Å; A2056-L2066 WeakPolarHBondContact O-CD1 3.22Å; A2056-V2114 HydrophobicContact CB-CG1 3.89Å; A2056-F2116 HydrophobicContact CB-CD1 4.07Å; A2056-F2116 HydrophobicContact CB-CE1 4.05Å
2057Q76.5Confident73.5Confident101 Ų10156.3 Ų56.347%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-123.1144.7-177.3-64-176.7-8.500111.7K2038 E2055 E2065K2038-Q2057 HydrophobicContact CB-CG 4.41Å; E2055-Q2057 HydrophobicContact CG-CG 4.01Å; E2055-Q2057 PolarHBondContact OE1-NE2 2.92Å; Q2057-E2065 PolarHBondContact N-OE2 3.33Å
2058G60.5Low73.5Confident31 Ų3157.7 Ų57.732%0.3232%0.324SS..  trans-157.976.9-17500000115.1
2059S53.9Low73.4Confident118 Ų11855.8 Ų55.883%0.82532%0.317SS*.SBendtrans-95.3-16.3170.5-176.20000114
2060N51.2Low73.4Confident111 Ų11160.4 Ų60.459%0.59433%0.333SS*.SBendtrans-128.4143.8-173.4-74.6-19.6000111.1D2062 N2063N2060-D2062 PolarHBondContact O-N 3.36Å; N2060-N2063 PolarHBondContact O-N 3.31Å
2061H50.8Low73.3Confident194 Ų19462.8 Ų62.890%0.89835%0.348SS*.THydrogen-bonded Turntrans-57.2-19.1-176.2-175.3-83.9000114.6
2062D50.4Low73.2Confident142 Ų14268.6 Ų68.676%0.75938%0.38SS*.THydrogen-bonded Turntrans-88.4-16-175.3-55.8-34.1000113.8N2060 A2064N2060-D2062 PolarHBondContact O-N 3.36Å; D2062-A2064 PolarHBondContact O-N 2.9Å
2063N55.8Low72.9Confident86 Ų8671 Ų7146%0.4639%0.391SS..  trans-91.7100.8-177.4-71.21.9000110.9N2060 E2065N2060-N2063 PolarHBondContact O-N 3.31Å; N2063-E2065 PolarHBondContact O-N 3.45Å
2064A61.6Low72.6Confident63 Ų6370.9 Ų70.952%0.52139%0.391SS..THydrogen-bonded Turntrans-70.413.5-171.700000116.7D2062 R2115D2062-A2064 PolarHBondContact O-N 2.9Å; A2064-R2115 PolarHBondContact O-NH1 3.29Å
2065E72.1Confident72.4Confident21 Ų2173.5 Ų73.510%0.09841%0.413CS..THydrogen-bonded Turntrans-82.8-41.2-174.4-62.8-176.5170.500113A2056 Q2057 N2063 R2115 R2117A2056-E2065 HydrophobicContact CB-CB 4.35Å; Q2057-E2065 PolarHBondContact N-OE2 3.33Å; N2063-E2065 PolarHBondContact O-N 3.45Å; E2065-R2115 PolarHBondContact O-N 3.47Å; E2065-R2117 IonicContact OE1-CZ 2.63Å; E2065-R2117 IonicContact OE1-NE 3.82Å; E2065-R2117 PolarHBondContact OE1-NE 3.44Å; E2065-R2117 IonicContact OE1-NH2 3.93Å; E2065-R2117 PolarHBondContact OE1-NH2 3.38Å; E2065-R2117 IonicContact OE2-NH2 2.76Å
2066L76.7Confident72.1Confident27 Ų2774 Ų7414%0.14142%0.421CS..EExtended strand (participates in β ladder)trans-107.9106.1166-86.282.9000108.5P2036 V2039 A2056 L2112P2036-L2066 HydrophobicContact CG-CD2 4.26Å; P2036-L2066 WeakPolarHBondContact O-CD2 3.24Å; V2039-L2066 HydrophobicContact CG2-CD2 4.39Å; A2056-L2066 VanDerWaalsContact C-CD1 3.45Å; A2056-L2066 HydrophobicContact CB-CD1 3.73Å; A2056-L2066 WeakPolarHBondContact O-CD1 3.22Å; L2066-L2112 HydrophobicContact CB-CD1 4.12Å; L2066-L2112 HydrophobicContact CD2-CD1 4.39Å; L2066-L2112 HydrophobicContact CD2-CD2 3.93Å; L2066-L2112 HydrophobicContact CG-CD1 4.37Å; L2066-L2112 HydrophobicContact CG-CD2 4.31Å
2067G74.5Confident72Confident18 Ų1874.1 Ų74.119%0.18642%0.422CS..EExtended strand (participates in β ladder)trans-123.3133.9178.600000112.4I2113G2067-I2113 PolarHBondContact N-O 3.37Å; G2067-I2113 WeakPolarHBondContact O-CA 3.3Å; G2067-I2113 WeakPolarHBondContact O-CB 3.32Å; G2067-I2113 PolarHBondContact O-N 3.4Å
2068M79.9Confident72.5Confident103 Ų10371.7 Ų71.751%0.50741%0.412SS..EExtended strand (participates in β ladder)trans-63.6150.5170.3-66.7173.7-79.100111.1M2035 K2070M2035-M2068 HydrophobicContact CE-SD 4Å; M2068-K2070 PolarHBondContact O-N 2.92Å
2069I83.8Confident73.6Confident3 Ų375.2 Ų75.22%0.01542%0.42CS..PPolyproline II helixtrans-65.2132.9174.7-165.2165.6000110.6Q2073 L2074 I2111 I2113 I2281I2069-Q2073 HydrophobicContact CD1-CB 4.3Å; I2069-Q2073 HydrophobicContact CG1-CB 3.79Å; I2069-L2074 HydrophobicContact CD1-CB 4.1Å; I2069-L2074 HydrophobicContact CD1-CD1 4.41Å; I2069-L2074 HydrophobicContact CG1-CB 4.3Å; I2069-L2074 HydrophobicContact CG2-CB 4.26Å; I2069-I2111 HydrophobicContact CB-CB 4.32Å; I2069-I2111 HydrophobicContact CB-CG2 3.95Å; I2069-I2111 HydrophobicContact CD1-CG2 4.15Å; I2069-I2111 HydrophobicContact CG2-CB 3.64Å; I2069-I2111 HydrophobicContact CG2-CD1 4.37Å; I2069-I2111 HydrophobicContact CG2-CG2 3.77Å; I2069-I2111 PolarHBondContact N-O 3.23Å; I2069-I2113 HydrophobicContact CB-CD1 4.25Å; I2069-I2113 HydrophobicContact CB-CG1 4.47Å; I2069-I2113 HydrophobicContact CG1-CD1 4.2Å; I2069-I2281 HydrophobicContact CD1-CD1 3.85Å
2070K83Confident74.8Confident136 Ų13670.2 Ų70.259%0.59139%0.386SS*.PPolyproline II helixtrans-70.1146.6174.1-66.6-172.6176.7-1730110.3M2068 D2072 Q2073 L2074M2068-K2070 PolarHBondContact O-N 2.92Å; K2070-D2072 PolarHBondContact O-N 2.96Å; K2070-Q2073 HydrophobicContact CB-CB 4.36Å; K2070-Q2073 HydrophobicContact CB-CG 4.12Å; K2070-Q2073 WeakPolarHBondContact O-CA 3.49Å; K2070-Q2073 WeakPolarHBondContact O-CB 3.36Å; K2070-Q2073 PolarHBondContact O-N 2.97Å; K2070-L2074 PolarHBondContact O-N 2.67Å
2071P84.7Confident76.2Confident85 Ų8565 Ų6555%0.55236%0.358SS*.Hα-helixtrans-56.2-37.7178.621.9-33.3000112.4Q2073 L2074 A2075P2071-Q2073 VanDerWaalsContact C-N 3.34Å; P2071-Q2073 PolarHBondContact O-N 3.48Å; P2071-L2074 PolarHBondContact O-N 3.08Å; P2071-A2075 WeakPolarHBondContact O-CB 3.49Å; P2071-A2075 PolarHBondContact O-N 3.26Å
2072D81.9Confident77.7Confident125 Ų12558.6 Ų58.667%0.66833%0.333SS*.Hα-helixtrans-64.7-37.7176.3-47-33000112.3K2070 A2075 S2076K2070-D2072 PolarHBondContact O-N 2.96Å; D2072-A2075 PolarHBondContact O-N 3.09Å; D2072-S2076 WeakPolarHBondContact O-CB 3.49Å; D2072-S2076 PolarHBondContact O-N 3.16Å; D2072-S2076 PolarHBondContact O-OG 3.46Å
2073Q82.6Confident78.9Confident49 Ų4956.7 Ų56.723%0.22932%0.322CS..Hα-helixtrans-69.6-44.7177-69.1176.9-44.300110.5I2069 K2070 P2071 A2075 S2076 L2077I2069-Q2073 HydrophobicContact CD1-CB 4.3Å; I2069-Q2073 HydrophobicContact CG1-CB 3.79Å; K2070-Q2073 HydrophobicContact CB-CB 4.36Å; K2070-Q2073 HydrophobicContact CB-CG 4.12Å; K2070-Q2073 WeakPolarHBondContact O-CA 3.49Å; K2070-Q2073 WeakPolarHBondContact O-CB 3.36Å; K2070-Q2073 PolarHBondContact O-N 2.97Å; P2071-Q2073 VanDerWaalsContact C-N 3.34Å; P2071-Q2073 PolarHBondContact O-N 3.48Å; Q2073-A2075 VanDerWaalsContact C-N 3.32Å; Q2073-A2075 PolarHBondContact O-N 3.26Å; Q2073-S2076 WeakPolarHBondContact CA-OG 3.47Å; Q2073-S2076 PolarHBondContact O-N 3.38Å; Q2073-S2076 PolarHBondContact O-OG 3.48Å; Q2073-L2077 PolarHBondContact O-N 2.84Å
2074L84.6Confident79.6Confident32 Ų3253.3 Ų53.317%0.16831%0.306CS..Hα-helixtrans-61.2-40173.9-178.259.7000111.9I2069 K2070 P2071 L2077 N2078 L2103 I2111I2069-L2074 HydrophobicContact CD1-CB 4.1Å; I2069-L2074 HydrophobicContact CD1-CD1 4.41Å; I2069-L2074 HydrophobicContact CG1-CB 4.3Å; I2069-L2074 HydrophobicContact CG2-CB 4.26Å; K2070-L2074 PolarHBondContact O-N 2.67Å; P2071-L2074 PolarHBondContact O-N 3.08Å; L2074-L2077 PolarHBondContact O-N 2.97Å; L2074-N2078 VanDerWaalsContact O-CB 3.23Å; L2074-N2078 WeakPolarHBondContact O-CB 3.48Å; L2074-N2078 PolarHBondContact O-N 3.01Å; L2074-L2103 HydrophobicContact CD1-CD1 3.7Å; L2074-L2103 HydrophobicContact CD1-CD2 4.1Å; L2074-L2103 HydrophobicContact CD1-CG 3.98Å; L2074-I2111 HydrophobicContact CD1-CD1 3.74Å; L2074-I2111 HydrophobicContact CD2-CD1 4.48Å
2075A83.2Confident80.3Confident57 Ų5755.3 Ų55.347%0.47130%0.3SS..Hα-helixtrans-62.6-43.5173.900000111.7P2071 D2072 Q2073 N2078 Q2079P2071-A2075 WeakPolarHBondContact O-CB 3.49Å; P2071-A2075 PolarHBondContact O-N 3.26Å; D2072-A2075 PolarHBondContact O-N 3.09Å; Q2073-A2075 VanDerWaalsContact C-N 3.32Å; Q2073-A2075 PolarHBondContact O-N 3.26Å; A2075-N2078 PolarHBondContact O-N 3.17Å; A2075-Q2079 WeakPolarHBondContact O-CB 3.28Å; A2075-Q2079 PolarHBondContact O-N 3.11Å
2076S81.6Confident80.4Confident52 Ų5256.4 Ų56.436%0.36431%0.308SS..Hα-helixtrans-65.2-40.117773.40000113.2D2072 Q2073 Q2079 A2080D2072-S2076 WeakPolarHBondContact O-CB 3.49Å; D2072-S2076 PolarHBondContact O-N 3.16Å; D2072-S2076 PolarHBondContact O-OG 3.46Å; Q2073-S2076 WeakPolarHBondContact CA-OG 3.47Å; Q2073-S2076 PolarHBondContact O-N 3.38Å; Q2073-S2076 PolarHBondContact O-OG 3.48Å; S2076-Q2079 PolarHBondContact O-N 2.72Å; S2076-A2080 WeakPolarHBondContact O-CB 3.45Å; S2076-A2080 PolarHBondContact O-N 3.28Å
2077L83.5Confident80Confident3 Ų360.6 Ų60.62%0.01634%0.336CS..Hα-helixtrans-66.4-44.1174.9179.663.4000111.8Q2073 L2074 Q2079 A2080 L2081 L2103 F2205Q2073-L2077 PolarHBondContact O-N 2.84Å; L2074-L2077 PolarHBondContact O-N 2.97Å; L2077-Q2079 VanDerWaalsContact C-N 3.33Å; L2077-Q2079 PolarHBondContact O-N 2.9Å; L2077-A2080 PolarHBondContact O-N 3.1Å; L2077-L2081 HydrophobicContact CD1-CD1 4.25Å; L2077-L2081 HydrophobicContact CG-CD1 4.25Å; L2077-L2081 WeakPolarHBondContact O-CG 3.31Å; L2077-L2081 PolarHBondContact O-N 2.69Å; L2077-L2103 HydrophobicContact CD2-CD1 4.15Å; L2077-L2103 HydrophobicContact CG-CD2 4.38Å; L2077-F2205 HydrophobicContact CD1-CE1 4.47Å; L2077-F2205 HydrophobicContact CD1-CZ 4.12Å; L2077-F2205 HydrophobicContact CD2-CE1 4.31Å
2078N86.2Confident79.9Confident50 Ų5071.3 Ų71.327%0.26737%0.37SS..Hα-helixtrans-62.5-40.4175.4-17531.8000111.4L2074 A2075 T2082 L2103L2074-N2078 VanDerWaalsContact O-CB 3.23Å; L2074-N2078 WeakPolarHBondContact O-CB 3.48Å; L2074-N2078 PolarHBondContact O-N 3.01Å; A2075-N2078 PolarHBondContact O-N 3.17Å; N2078-T2082 VanDerWaalsContact O-CB 3.26Å; N2078-T2082 WeakPolarHBondContact O-CB 3.48Å; N2078-T2082 PolarHBondContact O-N 2.94Å; N2078-T2082 PolarHBondContact O-OG1 3.32Å; N2078-L2103 HydrophobicContact CB-CD2 3.62Å
2079Q83.5Confident79.6Confident105 Ų10568.5 Ų68.549%0.49136%0.357SS..Hα-helixtrans-63.8-48.2173.4-176.6174.16.500111.2A2075 S2076 L2077 L2081 T2082 D2083A2075-Q2079 WeakPolarHBondContact O-CB 3.28Å; A2075-Q2079 PolarHBondContact O-N 3.11Å; S2076-Q2079 PolarHBondContact O-N 2.72Å; L2077-Q2079 VanDerWaalsContact C-N 3.33Å; L2077-Q2079 PolarHBondContact O-N 2.9Å; Q2079-L2081 VanDerWaalsContact C-N 3.34Å; Q2079-L2081 PolarHBondContact O-N 3.49Å; Q2079-T2082 CarbonylContact O-C 3.55Å; Q2079-T2082 WeakPolarHBondContact O-CA 3.33Å; Q2079-T2082 WeakPolarHBondContact O-CB 3.44Å; Q2079-T2082 PolarHBondContact O-N 2.84Å; Q2079-D2083 WeakPolarHBondContact O-CB 3.38Å; Q2079-D2083 PolarHBondContact O-N 3.01Å
2080A78.4Confident79.4Confident13 Ų1373.3 Ų73.311%0.10739%0.387CS..Hα-helixtrans-58.1-43.2178.300000112.6S2076 L2077 T2082 D2083 S2084 K2278 L2279S2076-A2080 WeakPolarHBondContact O-CB 3.45Å; S2076-A2080 PolarHBondContact O-N 3.28Å; L2077-A2080 PolarHBondContact O-N 3.1Å; A2080-T2082 VanDerWaalsContact C-N 3.35Å; A2080-D2083 PolarHBondContact O-N 3.02Å; A2080-S2084 VanDerWaalsContact O-CB 3.31Å; A2080-S2084 WeakPolarHBondContact O-CB 3.39Å; A2080-S2084 PolarHBondContact O-N 2.87Å; A2080-S2084 PolarHBondContact O-OG 3.41Å; A2080-K2278 HydrophobicContact CB-CB 4.31Å; A2080-K2278 WeakPolarHBondContact CB-O 3.46Å; A2080-L2279 HydrophobicContact CB-CD1 4.22Å
2081L81Confident79.2Confident0 Ų071.4 Ų71.40%038%0.383CS..Hα-helixtrans-72.4-24.9175.7-70.8170.6000113.8L2077 Q2079 S2084 S2096 V2100 L2103 I2220 T2223 L2279L2077-L2081 HydrophobicContact CD1-CD1 4.25Å; L2077-L2081 HydrophobicContact CG-CD1 4.25Å; L2077-L2081 WeakPolarHBondContact O-CG 3.31Å; L2077-L2081 PolarHBondContact O-N 2.69Å; Q2079-L2081 VanDerWaalsContact C-N 3.34Å; Q2079-L2081 PolarHBondContact O-N 3.49Å; L2081-S2084 WeakPolarHBondContact CA-OG 3.26Å; L2081-S2084 PolarHBondContact O-OG 3.21Å; L2081-S2096 PolarHBondContact O-OG 3.43Å; L2081-V2100 HydrophobicContact CB-CG2 4.21Å; L2081-L2103 HydrophobicContact CD1-CD2 4.28Å; L2081-I2220 HydrophobicContact CD1-CG1 4.32Å; L2081-T2223 HydrophobicContact CD2-CG2 4.14Å; L2081-L2279 HydrophobicContact CD2-CD1 3.76Å; L2081-L2279 HydrophobicContact CG-CD1 4.16Å
2082T81.9Confident78.9Confident61 Ų6167.3 Ų67.337%0.37436%0.357SS..Hα-helixtrans-76.5-32.6172.5-60.70000111.5N2078 Q2079 A2080 Y2085 V2100N2078-T2082 VanDerWaalsContact O-CB 3.26Å; N2078-T2082 WeakPolarHBondContact O-CB 3.48Å; N2078-T2082 PolarHBondContact O-N 2.94Å; N2078-T2082 PolarHBondContact O-OG1 3.32Å; Q2079-T2082 CarbonylContact O-C 3.55Å; Q2079-T2082 WeakPolarHBondContact O-CA 3.33Å; Q2079-T2082 WeakPolarHBondContact O-CB 3.44Å; Q2079-T2082 PolarHBondContact O-N 2.84Å; A2080-T2082 VanDerWaalsContact C-N 3.35Å; T2082-Y2085 WeakPolarHBondContact O-CD1 3.48Å; T2082-Y2085 VanDerWaalsContact O-CE1 3.23Å; T2082-Y2085 WeakPolarHBondContact O-CE1 3.36Å; T2082-V2100 WeakPolarHBondContact OG1-CG2 3.33Å
2083D77.3Confident78.9Confident101 Ų10163.7 Ų63.754%0.5434%0.337SS..Hα-helixtrans-84.9-22.5178.8-67.9-20.4000112.3Q2079 A2080 Y2085Q2079-D2083 WeakPolarHBondContact O-CB 3.38Å; Q2079-D2083 PolarHBondContact O-N 3.01Å; A2080-D2083 PolarHBondContact O-N 3.02Å; D2083-Y2085 VanDerWaalsContact C-N 3.28Å; D2083-Y2085 PolarHBondContact O-N 3.12Å
2084S69.2Low78.9Confident16 Ų1665.9 Ų65.911%0.11235%0.35CS..  trans-79.663.6179.869.70000113.3A2080 L2081 T2223 D2227A2080-S2084 VanDerWaalsContact O-CB 3.31Å; A2080-S2084 WeakPolarHBondContact O-CB 3.39Å; A2080-S2084 PolarHBondContact O-N 2.87Å; A2080-S2084 PolarHBondContact O-OG 3.41Å; L2081-S2084 WeakPolarHBondContact CA-OG 3.26Å; L2081-S2084 PolarHBondContact O-OG 3.21Å; S2084-T2223 WeakPolarHBondContact OG-CG2 3.31Å; S2084-D2227 WeakPolarHBondContact O-CB 3.48Å
2085Y77.9Confident78.8Confident104 Ų10466.4 Ų66.441%0.40835%0.35SS..SBendtrans-137.2151.5167.270.7-82.1000111.6T2082 D2083 T2087 I2093T2082-Y2085 WeakPolarHBondContact O-CD1 3.48Å; T2082-Y2085 VanDerWaalsContact O-CE1 3.23Å; T2082-Y2085 WeakPolarHBondContact O-CE1 3.36Å; D2083-Y2085 VanDerWaalsContact C-N 3.28Å; D2083-Y2085 PolarHBondContact O-N 3.12Å; Y2085-T2087 HydrophobicContact CD2-CG2 4.49Å; Y2085-T2087 HydrophobicContact CE2-CG2 3.83Å; Y2085-I2093 HydrophobicContact CD2-CD1 4.43Å; Y2085-I2093 HydrophobicContact CD2-CG1 3.64Å; Y2085-I2093 HydrophobicContact CE2-CG1 4.31Å; Y2085-I2093 HydrophobicContact CG-CG1 4.33Å
2086T72.9Confident78.7Confident44 Ų4464.1 Ų64.127%0.2733%0.33SS..  trans-91.1114.5175.1-570000109R2088 D2089 S2092 R2231T2086-R2088 PolarHBondContact O-N 3.38Å; T2086-D2089 HydrophobicContact CG2-CB 4.36Å; T2086-D2089 PolarHBondContact O-N 3.35Å; T2086-S2092 WeakPolarHBondContact CA-OG 3.3Å; T2086-S2092 WeakPolarHBondContact CB-OG 3.46Å; T2086-S2092 PolarHBondContact N-OG 2.88Å; T2086-S2092 PolarHBondContact O-OG 3.1Å; T2086-R2231 PolarHBondContact OG1-NH2 3.06Å
2087T68.8Low78.9Confident116 Ų11670.3 Ų70.371%0.71235%0.345SS*.THydrogen-bonded Turntrans-55.7-14.8-17654.40000115.8Y2085Y2085-T2087 HydrophobicContact CD2-CG2 4.49Å; Y2085-T2087 HydrophobicContact CE2-CG2 3.83Å
2088R71.7Confident78.9Confident243 Ų24374.3 Ų74.392%0.91737%0.365SS*.THydrogen-bonded Turntrans-100.1-15.1175.8-75.1-176.8170.7170.1-2.7115.6T2086T2086-R2088 PolarHBondContact O-N 3.38Å
2089D74.8Confident78.8Confident43 Ų4371.9 Ų71.923%0.2335%0.352CS..  trans-108.4111.6-175.4179.512000110.7T2086 N2091 S2092 I2093 R2095T2086-D2089 HydrophobicContact CG2-CB 4.36Å; T2086-D2089 PolarHBondContact O-N 3.35Å; D2089-N2091 PolarHBondContact O-N 2.87Å; D2089-N2091 VanDerWaalsContact OD1-CB 3.3Å; D2089-N2091 WeakPolarHBondContact OD1-CB 3.24Å; D2089-N2091 PolarHBondContact OD1-N 3.5Å; D2089-N2091 PolarHBondContact OD1-ND2 3.32Å; D2089-S2092 WeakPolarHBondContact O-CB 3.43Å; D2089-S2092 PolarHBondContact O-N 3.07Å; D2089-S2092 VanDerWaalsContact O-N 3.09Å; D2089-S2092 PolarHBondContact O-OG 3.48Å; D2089-S2092 PolarHBondContact OD2-N 3.47Å; D2089-I2093 PolarHBondContact O-N 3.02Å; D2089-R2095 IonicContact OD2-NH2 2.67Å; D2089-R2095 PolarHBondContact OD2-NH2 3.25Å
2090T79.2Confident78.9Confident105 Ų10567.9 Ų67.964%0.64434%0.335SS*.Hα-helixtrans-59.4-30.8176.448.10000112.5I2093 L2094T2090-I2093 PolarHBondContact O-N 2.83Å; T2090-L2094 WeakPolarHBondContact O-CB 3.4Å; T2090-L2094 PolarHBondContact O-N 3Å
2091N77.8Confident79.2Confident95 Ų9571.2 Ų71.251%0.50836%0.357SS..Hα-helixtrans-70.2-37.2177.3-57.1-53.7000110.8D2089 L2094 R2095D2089-N2091 PolarHBondContact O-N 2.87Å; D2089-N2091 VanDerWaalsContact OD1-CB 3.3Å; D2089-N2091 WeakPolarHBondContact OD1-CB 3.24Å; D2089-N2091 PolarHBondContact OD1-N 3.5Å; D2089-N2091 PolarHBondContact OD1-ND2 3.32Å; N2091-L2094 PolarHBondContact O-N 3.2Å; N2091-R2095 WeakPolarHBondContact O-CB 3.5Å; N2091-R2095 WeakPolarHBondContact O-CG 3.43Å; N2091-R2095 PolarHBondContact O-N 2.87Å
2092S79.2Confident79.5Confident0 Ų073.5 Ų73.50%037%0.366CS..Hα-helixtrans-64.5-41.217476.90000113T2086 D2089 L2094 R2095 S2096 D2227T2086-S2092 WeakPolarHBondContact CA-OG 3.3Å; T2086-S2092 WeakPolarHBondContact CB-OG 3.46Å; T2086-S2092 PolarHBondContact N-OG 2.88Å; T2086-S2092 PolarHBondContact O-OG 3.1Å; D2089-S2092 WeakPolarHBondContact O-CB 3.43Å; D2089-S2092 PolarHBondContact O-N 3.07Å; D2089-S2092 VanDerWaalsContact O-N 3.09Å; D2089-S2092 PolarHBondContact O-OG 3.48Å; D2089-S2092 PolarHBondContact OD2-N 3.47Å; S2092-L2094 VanDerWaalsContact C-N 3.28Å; S2092-L2094 PolarHBondContact O-N 3.36Å; S2092-R2095 PolarHBondContact O-N 3.09Å; S2092-S2096 WeakPolarHBondContact O-CB 3.22Å; S2092-S2096 PolarHBondContact O-N 3.22Å; S2092-D2227 WeakPolarHBondContact CA-OD2 3.32Å; S2092-D2227 VanDerWaalsContact CB-CG 3.43Å; S2092-D2227 WeakPolarHBondContact CB-OD1 3.38Å
2093I81.2Confident79.7Confident48 Ų4870.9 Ų70.925%0.24635%0.35CS..Hα-helixtrans-63.8-38.9175.2-64.2168.7000109.8Y2085 D2089 T2090 R2097Y2085-I2093 HydrophobicContact CD2-CD1 4.43Å; Y2085-I2093 HydrophobicContact CD2-CG1 3.64Å; Y2085-I2093 HydrophobicContact CE2-CG1 4.31Å; Y2085-I2093 HydrophobicContact CG-CG1 4.33Å; D2089-I2093 PolarHBondContact O-N 3.02Å; T2090-I2093 PolarHBondContact O-N 2.83Å; I2093-R2097 VanDerWaalsContact O-CB 3.26Å; I2093-R2097 WeakPolarHBondContact O-CB 3.36Å; I2093-R2097 WeakPolarHBondContact O-CG 3.5Å; I2093-R2097 PolarHBondContact O-N 3.1Å
2094L82.4Confident80Confident96 Ų9673.5 Ų73.550%0.50336%0.356SS..Hα-helixtrans-68.9-43.2176.5-163151.1000111.3T2090 N2091 S2092 R2097 M2098T2090-L2094 WeakPolarHBondContact O-CB 3.4Å; T2090-L2094 PolarHBondContact O-N 3Å; N2091-L2094 PolarHBondContact O-N 3.2Å; S2092-L2094 VanDerWaalsContact C-N 3.28Å; S2092-L2094 PolarHBondContact O-N 3.36Å; L2094-R2097 PolarHBondContact O-N 3.22Å; L2094-M2098 HydrophobicContact CD2-CE 3.72Å; L2094-M2098 HydrophobicContact CD2-CG 3.96Å; L2094-M2098 HydrophobicContact CD2-SD 3.61Å; L2094-M2098 WeakPolarHBondContact O-CB 3.19Å; L2094-M2098 VanDerWaalsContact O-CG 3.3Å; L2094-M2098 WeakPolarHBondContact O-CG 3.36Å; L2094-M2098 PolarHBondContact O-N 3.1Å
2095R82.6Confident80.6Confident43 Ų4375.7 Ų75.716%0.16238%0.382CS..Hα-helixtrans-58.6-55.2173.6-75.1-174.9-61.8-115.6-3.6111.7D2089 N2091 S2092 R2097 M2098 S2099 T2223 N2226 D2227D2089-R2095 IonicContact OD2-NH2 2.67Å; D2089-R2095 PolarHBondContact OD2-NH2 3.25Å; N2091-R2095 WeakPolarHBondContact O-CB 3.5Å; N2091-R2095 WeakPolarHBondContact O-CG 3.43Å; N2091-R2095 PolarHBondContact O-N 2.87Å; S2092-R2095 PolarHBondContact O-N 3.09Å; R2095-R2097 VanDerWaalsContact C-N 3.33Å; R2095-R2097 PolarHBondContact O-N 2.87Å; R2095-M2098 HydrophobicContact CG-CE 4.36Å; R2095-M2098 PolarHBondContact O-N 3.35Å; R2095-M2098 VanDerWaalsContact O-N 3.11Å; R2095-S2099 PolarHBondContact O-N 3.35Å; R2095-S2099 PolarHBondContact O-OG 2.88Å; R2095-T2223 PolarHBondContact O-OG1 2.92Å; R2095-N2226 VanDerWaalsContact CZ-CB 3.42Å; R2095-D2227 WeakPolarHBondContact CB-OD2 3.43Å; R2095-D2227 IonicContact CZ-OD1 2.71Å; R2095-D2227 IonicContact CZ-OD2 3.44Å; R2095-D2227 IonicContact NE-OD1 3.49Å; R2095-D2227 IonicContact NE-OD2 2.72Å; R2095-D2227 PolarHBondContact NE-OD2 3.46Å; R2095-D2227 IonicContact NH2-OD1 2.63Å; R2095-D2227 PolarHBondContact NH2-OD1 2.93Å; R2095-D2227 IonicContact NH2-OD2 3.84Å; R2095-D2227 PolarHBondContact NH2-OD2 3.02Å
2096S82.3Confident80.8Confident8 Ų872.4 Ų72.46%0.05637%0.369CS..Hα-helixtrans-54.9-45.7175.1165.60000112.1L2081 S2092 M2098 S2099 V2100L2081-S2096 PolarHBondContact O-OG 3.43Å; S2092-S2096 WeakPolarHBondContact O-CB 3.22Å; S2092-S2096 PolarHBondContact O-N 3.22Å; S2096-M2098 PolarHBondContact O-N 3.34Å; S2096-S2099 PolarHBondContact O-N 3.45Å; S2096-V2100 WeakPolarHBondContact O-CG2 3.49Å; S2096-V2100 PolarHBondContact O-N 3.14Å
2097R84.8Confident81.2Confident182 Ų18273 Ų7369%0.68737%0.372SS*.Hα-helixtrans-63-38.6175.6-76.4174.2179.6-173.20.9113.5I2093 L2094 R2095 S2099 S2101I2093-R2097 VanDerWaalsContact O-CB 3.26Å; I2093-R2097 WeakPolarHBondContact O-CB 3.36Å; I2093-R2097 WeakPolarHBondContact O-CG 3.5Å; I2093-R2097 PolarHBondContact O-N 3.1Å; L2094-R2097 PolarHBondContact O-N 3.22Å; R2095-R2097 VanDerWaalsContact C-N 3.33Å; R2095-R2097 PolarHBondContact O-N 2.87Å; R2097-S2099 VanDerWaalsContact C-N 3.34Å; R2097-S2101 WeakPolarHBondContact O-CB 3.3Å; R2097-S2101 PolarHBondContact O-N 3.02Å
2098M83.7Confident82Confident87 Ų8772.8 Ų72.843%0.42936%0.359SS..Hα-helixtrans-64.5-40.4174-73.8-170.5-51.100111.1L2094 R2095 S2096 S2101 Y2102L2094-M2098 HydrophobicContact CD2-CE 3.72Å; L2094-M2098 HydrophobicContact CD2-CG 3.96Å; L2094-M2098 HydrophobicContact CD2-SD 3.61Å; L2094-M2098 WeakPolarHBondContact O-CB 3.19Å; L2094-M2098 VanDerWaalsContact O-CG 3.3Å; L2094-M2098 WeakPolarHBondContact O-CG 3.36Å; L2094-M2098 PolarHBondContact O-N 3.1Å; R2095-M2098 HydrophobicContact CG-CE 4.36Å; R2095-M2098 PolarHBondContact O-N 3.35Å; R2095-M2098 VanDerWaalsContact O-N 3.11Å; S2096-M2098 PolarHBondContact O-N 3.34Å; M2098-S2101 PolarHBondContact O-N 3.45Å; M2098-Y2102 VanDerWaalsContact O-CB 3.27Å; M2098-Y2102 WeakPolarHBondContact O-CB 3.38Å; M2098-Y2102 PolarHBondContact O-N 3.45Å
2099S84.1Confident82.4Confident0 Ų065 Ų650%033%0.333CS..Hα-helixtrans-68.9-44.1178.5-62.10000112.5R2095 S2096 R2097 S2101 Y2102 L2103 S2219 I2220 T2223R2095-S2099 PolarHBondContact O-N 3.35Å; R2095-S2099 PolarHBondContact O-OG 2.88Å; S2096-S2099 PolarHBondContact O-N 3.45Å; R2097-S2099 VanDerWaalsContact C-N 3.34Å; S2099-S2101 VanDerWaalsContact C-N 3.33Å; S2099-S2101 PolarHBondContact O-N 3.47Å; S2099-Y2102 PolarHBondContact O-N 3.19Å; S2099-L2103 WeakPolarHBondContact O-CB 3.29Å; S2099-L2103 PolarHBondContact O-N 3.37Å; S2099-S2219 PolarHBondContact OG-O 3.26Å; S2099-I2220 PolarHBondContact OG-N 3.07Å; S2099-T2223 PolarHBondContact OG-OG1 3.46Å
2100V86Confident82.8Confident20 Ų2063.1 Ų63.112%0.12132%0.323CS..Hα-helixtrans-65-36.2172172.40000111.5L2081 T2082 S2096 K2104L2081-V2100 HydrophobicContact CB-CG2 4.21Å; T2082-V2100 WeakPolarHBondContact OG1-CG2 3.33Å; S2096-V2100 WeakPolarHBondContact O-CG2 3.49Å; S2096-V2100 PolarHBondContact O-N 3.14Å; V2100-K2104 HydrophobicContact CG1-CD 4.3Å; V2100-K2104 WeakPolarHBondContact O-CB 3.36Å; V2100-K2104 VanDerWaalsContact O-CG 3.28Å; V2100-K2104 WeakPolarHBondContact O-CG 3.5Å; V2100-K2104 PolarHBondContact O-N 3.07Å
2101S85.1Confident83.2Confident83 Ų8358.1 Ų58.158%0.5829%0.292SS*.Hα-helixtrans-70.9-34175.4-169.30000112.7R2097 M2098 S2099 G2105R2097-S2101 WeakPolarHBondContact O-CB 3.3Å; R2097-S2101 PolarHBondContact O-N 3.02Å; M2098-S2101 PolarHBondContact O-N 3.45Å; S2099-S2101 VanDerWaalsContact C-N 3.33Å; S2099-S2101 PolarHBondContact O-N 3.47Å; S2101-G2105 PolarHBondContact O-N 2.99Å
2102Y87.1Confident83.5Confident49 Ų4954.3 Ų54.319%0.19227%0.272CS..Hα-helixtrans-68.6-46.9174.3-175.6-88.2000110.2M2098 S2099 K2104 G2105 Y2106 Q2207 P2217 S2219 I2220 F2299M2098-Y2102 VanDerWaalsContact O-CB 3.27Å; M2098-Y2102 WeakPolarHBondContact O-CB 3.38Å; M2098-Y2102 PolarHBondContact O-N 3.45Å; S2099-Y2102 PolarHBondContact O-N 3.19Å; Y2102-K2104 VanDerWaalsContact C-N 3.3Å; Y2102-K2104 PolarHBondContact O-N 3.27Å; Y2102-G2105 PolarHBondContact O-N 3.2Å; Y2102-Y2106 HydrophobicContact CD1-CE2 4.16Å; Y2102-Y2106 HydrophobicContact CE1-CD2 4.47Å; Y2102-Y2106 AromaticContact CE1-CE2 3.71Å; Y2102-Y2106 HydrophobicContact CE1-CE2 3.71Å; Y2102-Y2106 HydrophobicContact CE2-CE2 4.4Å; Y2102-Y2106 AromaticContact CZ-CE2 3.85Å; Y2102-Y2106 WeakPolarHBondContact O-CD2 3.47Å; Y2102-Y2106 PolarHBondContact OH-OH 3.35Å; Y2102-Q2207 VanDerWaalsContact OH-CD 3.25Å; Y2102-Q2207 PolarHBondContact OH-OE1 3.24Å; Y2102-P2217 HydrophobicContact CD1-CB 4.47Å; Y2102-P2217 HydrophobicContact CE1-CB 3.65Å; Y2102-S2219 WeakPolarHBondContact CB-OG 3.24Å; Y2102-I2220 HydrophobicContact CD1-CD1 3.86Å; Y2102-I2220 HydrophobicContact CD1-CG1 4.4Å; Y2102-I2220 HydrophobicContact CE1-CD1 4.18Å; Y2102-F2299 HydrophobicContact CE1-CD2 4.48Å; Y2102-F2299 HydrophobicContact CE1-CG 4.46Å
2103L85.7Confident84Confident6 Ų654.3 Ų54.33%0.03127%0.272CS..Hα-helixtrans-60.4-38.1176.7-169.365.7000112.3L2074 L2077 N2078 L2081 S2099 G2105 Y2106 I2111 F2299L2074-L2103 HydrophobicContact CD1-CD1 3.7Å; L2074-L2103 HydrophobicContact CD1-CD2 4.1Å; L2074-L2103 HydrophobicContact CD1-CG 3.98Å; L2077-L2103 HydrophobicContact CD2-CD1 4.15Å; L2077-L2103 HydrophobicContact CG-CD2 4.38Å; N2078-L2103 HydrophobicContact CB-CD2 3.62Å; L2081-L2103 HydrophobicContact CD1-CD2 4.28Å; S2099-L2103 WeakPolarHBondContact O-CB 3.29Å; S2099-L2103 PolarHBondContact O-N 3.37Å; L2103-G2105 PolarHBondContact O-N 2.97Å; L2103-Y2106 PolarHBondContact O-N 3.27Å; L2103-I2111 HydrophobicContact CD1-CD1 4.18Å; L2103-F2299 HydrophobicContact CD1-CE1 3.9Å; L2103-F2299 HydrophobicContact CD1-CZ 4.39Å
2104K84.7Confident84.3Confident156 Ų15652 Ų5268%0.67826%0.26SS*.THydrogen-bonded Turntrans-68.4-9.1173.7-77.4178.6180-176.60114.9V2100 Y2102 Y2106V2100-K2104 HydrophobicContact CG1-CD 4.3Å; V2100-K2104 WeakPolarHBondContact O-CB 3.36Å; V2100-K2104 VanDerWaalsContact O-CG 3.28Å; V2100-K2104 WeakPolarHBondContact O-CG 3.5Å; V2100-K2104 PolarHBondContact O-N 3.07Å; Y2102-K2104 VanDerWaalsContact C-N 3.3Å; Y2102-K2104 PolarHBondContact O-N 3.27Å; K2104-Y2106 VanDerWaalsContact C-N 3.31Å
2105G80.9Confident84.5Confident62 Ų6249.3 Ų49.364%0.63924%0.244SC*.THydrogen-bonded Turntrans-76.9-17.2173.900000113.9S2101 Y2102 L2103S2101-G2105 PolarHBondContact O-N 2.99Å; Y2102-G2105 PolarHBondContact O-N 3.2Å; L2103-G2105 PolarHBondContact O-N 2.97Å
2106Y82.7Confident84.7Confident34 Ų3447.3 Ų47.313%0.13324%0.236CC..SBendtrans-118.6145.3-176.6-60.1-86.6000110.5Y2102 L2103 K2104 D2110 Q2207 F2299 D2301Y2102-Y2106 HydrophobicContact CD1-CE2 4.16Å; Y2102-Y2106 HydrophobicContact CE1-CD2 4.47Å; Y2102-Y2106 AromaticContact CE1-CE2 3.71Å; Y2102-Y2106 HydrophobicContact CE1-CE2 3.71Å; Y2102-Y2106 HydrophobicContact CE2-CE2 4.4Å; Y2102-Y2106 AromaticContact CZ-CE2 3.85Å; Y2102-Y2106 WeakPolarHBondContact O-CD2 3.47Å; Y2102-Y2106 PolarHBondContact OH-OH 3.35Å; L2103-Y2106 PolarHBondContact O-N 3.27Å; K2104-Y2106 VanDerWaalsContact C-N 3.31Å; Y2106-D2110 HydrophobicContact CD1-CB 3.98Å; Y2106-Q2207 VanDerWaalsContact OH-CD 3.3Å; Y2106-Q2207 PolarHBondContact OH-NE2 3.06Å; Y2106-F2299 HydrophobicContact CD1-CB 4.32Å; Y2106-F2299 AromaticContact CD2-CD1 3.88Å; Y2106-F2299 HydrophobicContact CD2-CD1 3.88Å; Y2106-F2299 HydrophobicContact CE1-CB 4.02Å; Y2106-F2299 HydrophobicContact CE2-CB 4.25Å; Y2106-F2299 HydrophobicContact CE2-CD1 4.21Å; Y2106-F2299 HydrophobicContact CE2-CG 4.48Å; Y2106-F2299 HydrophobicContact CG-CD1 4.11Å; Y2106-D2301 PolarHBondContact OH-OD1 3.49Å
2107T81.5Confident84.9Confident57 Ų5751.5 Ų51.535%0.3525%0.25SS..  trans-89.4172.1169.4710000110.7E2109 D2110 I2111 R2302T2107-E2109 PolarHBondContact O-N 3.49Å; T2107-E2109 PolarHBondContact OG1-N 3.19Å; T2107-D2110 WeakPolarHBondContact CA-OD2 3.36Å; T2107-D2110 VanDerWaalsContact CB-OD2 3.29Å; T2107-D2110 WeakPolarHBondContact CB-OD2 3.23Å; T2107-D2110 PolarHBondContact N-OD2 2.93Å; T2107-D2110 PolarHBondContact O-N 2.92Å; T2107-D2110 VanDerWaalsContact O-N 3.1Å; T2107-D2110 PolarHBondContact OG1-OD2 3.29Å; T2107-I2111 WeakPolarHBondContact O-CG1 3.45Å; T2107-R2302 PolarHBondContact OG1-NH2 3Å
2108Y84.1Confident84.8Confident112 Ų11242.8 Ų42.844%0.43922%0.218SC..THydrogen-bonded Turntrans-63.8-21176.466.1-93.3000113.1
2109E79.9Confident84.9Confident78 Ų7840.6 Ų40.636%0.36421%0.206SC..THydrogen-bonded Turntrans-80-24.6176.2-55.6-179.8170.400112.1I2033 T2107 I2111I2033-E2109 HydrophobicContact CD1-CB 3.86Å; T2107-E2109 PolarHBondContact O-N 3.49Å; T2107-E2109 PolarHBondContact OG1-N 3.19Å; E2109-I2111 VanDerWaalsContact C-N 3.31Å
2110D83.2Confident85Confident4 Ų441.3 Ų41.32%0.02121%0.211CC..SBendtrans-86.3-0.9177.6-51.1-67.2000112.2Y2106 T2107 I2300 R2302Y2106-D2110 HydrophobicContact CD1-CB 3.98Å; T2107-D2110 WeakPolarHBondContact CA-OD2 3.36Å; T2107-D2110 VanDerWaalsContact CB-OD2 3.29Å; T2107-D2110 WeakPolarHBondContact CB-OD2 3.23Å; T2107-D2110 PolarHBondContact N-OD2 2.93Å; T2107-D2110 PolarHBondContact O-N 2.92Å; T2107-D2110 VanDerWaalsContact O-N 3.1Å; T2107-D2110 PolarHBondContact OG1-OD2 3.29Å; D2110-I2300 PolarHBondContact O-N 2.9Å; D2110-R2302 WeakPolarHBondContact OD1-CG 3.37Å; D2110-R2302 IonicContact OD1-CZ 2.78Å; D2110-R2302 IonicContact OD1-NE 3.54Å; D2110-R2302 PolarHBondContact OD1-NE 2.88Å; D2110-R2302 IonicContact OD1-NH2 3.22Å; D2110-R2302 PolarHBondContact OD1-NH2 3.34Å; D2110-R2302 IonicContact OD2-CZ 3.96Å; D2110-R2302 IonicContact OD2-NE 3.27Å; D2110-R2302 PolarHBondContact OD2-NE 2.82Å; D2110-R2302 IonicContact OD2-NH2 3.33Å; D2110-R2302 PolarHBondContact OD2-NH2 2.97Å
2111I87.7Confident84.9Confident0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-119.5111.1-176.1-57.7170.5000110.2I2069 L2074 L2103 T2107 E2109 V2297 F2299I2069-I2111 HydrophobicContact CB-CB 4.32Å; I2069-I2111 HydrophobicContact CB-CG2 3.95Å; I2069-I2111 HydrophobicContact CD1-CG2 4.15Å; I2069-I2111 HydrophobicContact CG2-CB 3.64Å; I2069-I2111 HydrophobicContact CG2-CD1 4.37Å; I2069-I2111 HydrophobicContact CG2-CG2 3.77Å; I2069-I2111 PolarHBondContact N-O 3.23Å; L2074-I2111 HydrophobicContact CD1-CD1 3.74Å; L2074-I2111 HydrophobicContact CD2-CD1 4.48Å; L2103-I2111 HydrophobicContact CD1-CD1 4.18Å; T2107-I2111 WeakPolarHBondContact O-CG1 3.45Å; E2109-I2111 VanDerWaalsContact C-N 3.31Å; I2111-V2297 HydrophobicContact CG2-CG1 3.85Å; I2111-F2299 HydrophobicContact CD1-CD1 4.13Å; I2111-F2299 HydrophobicContact CD1-CE1 3.89Å; I2111-F2299 HydrophobicContact CG1-CD1 3.77Å; I2111-F2299 HydrophobicContact CG1-CE1 3.99Å; I2111-F2299 HydrophobicContact CG2-CE1 4.41Å
2112L85.8Confident84.8Confident15 Ų1545.3 Ų45.38%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-102.1136.1-177.5-176.668.4000111.3P2036 L2066 V2114 F2152 V2297 G2298 I2300P2036-L2112 HydrophobicContact CG-CD2 3.54Å; L2066-L2112 HydrophobicContact CB-CD1 4.12Å; L2066-L2112 HydrophobicContact CD2-CD1 4.39Å; L2066-L2112 HydrophobicContact CD2-CD2 3.93Å; L2066-L2112 HydrophobicContact CG-CD1 4.37Å; L2066-L2112 HydrophobicContact CG-CD2 4.31Å; L2112-V2114 HydrophobicContact CD2-CG2 3.79Å; L2112-V2114 HydrophobicContact CG-CG2 4.02Å; L2112-F2152 HydrophobicContact CD2-CE1 4.46Å; L2112-V2297 CarbonylContact O-C 3.41Å; L2112-V2297 WeakPolarHBondContact O-CA 3.1Å; L2112-G2298 PolarHBondContact N-O 2.89Å; L2112-G2298 PolarHBondContact O-N 3.12Å; L2112-I2300 HydrophobicContact CB-CD1 3.92Å; L2112-I2300 HydrophobicContact CD2-CD1 4.25Å
2113I87.9Confident84.7Confident0 Ų049.6 Ų49.60%024%0.238CC..EExtended strand (participates in β ladder)trans-102.5113.7166.6-57.5168.6000107.7G2067 I2069 R2115 I2281 Q2295G2067-I2113 PolarHBondContact N-O 3.37Å; G2067-I2113 WeakPolarHBondContact O-CA 3.3Å; G2067-I2113 WeakPolarHBondContact O-CB 3.32Å; G2067-I2113 PolarHBondContact O-N 3.4Å; I2069-I2113 HydrophobicContact CB-CD1 4.25Å; I2069-I2113 HydrophobicContact CB-CG1 4.47Å; I2069-I2113 HydrophobicContact CG1-CD1 4.2Å; I2113-R2115 HydrophobicContact CG2-CG 4.24Å; I2113-I2281 HydrophobicContact CD1-CD1 4.43Å; I2113-I2281 HydrophobicContact CD1-CG2 4.46Å; I2113-Q2295 HydrophobicContact CG2-CG 3.59Å
2114V87.4Confident84.6Confident0 Ų049.7 Ų49.70%024%0.238CC..EExtended strand (participates in β ladder)trans-96128.7175.3-172.20000108.7V2039 A2056 L2112 F2116 F2152 Q2295 V2296V2039-V2114 HydrophobicContact CB-CG1 4.01Å; V2039-V2114 HydrophobicContact CG1-CG1 4.19Å; V2039-V2114 HydrophobicContact CG2-CG1 4.3Å; V2039-V2114 HydrophobicContact CG2-CG2 4.14Å; A2056-V2114 HydrophobicContact CB-CG1 3.89Å; L2112-V2114 HydrophobicContact CD2-CG2 3.79Å; L2112-V2114 HydrophobicContact CG-CG2 4.02Å; V2114-F2116 HydrophobicContact CB-CE2 4.4Å; V2114-F2116 HydrophobicContact CB-CZ 4.41Å; V2114-F2116 HydrophobicContact CG1-CD1 4.46Å; V2114-F2116 HydrophobicContact CG1-CD2 4.39Å; V2114-F2116 HydrophobicContact CG1-CE1 3.83Å; V2114-F2116 HydrophobicContact CG1-CE2 3.75Å; V2114-F2116 HydrophobicContact CG1-CZ 3.42Å; V2114-F2116 VanDerWaalsContact CG1-CZ 3.42Å; V2114-F2152 HydrophobicContact CG2-CE1 4.01Å; V2114-F2152 HydrophobicContact CG2-CZ 4.34Å; V2114-Q2295 WeakPolarHBondContact O-CA 3.17Å; V2114-V2296 PolarHBondContact N-O 2.96Å; V2114-V2296 PolarHBondContact O-N 3.16Å
2115R86.9Confident84.4Confident40 Ų4046.2 Ų46.215%0.15123%0.231CC..EExtended strand (participates in β ladder)trans-120.4109.3178.5-60.1-173.7-174.8102.16.5110.1A2064 E2065 I2113 Y2293 Q2295A2064-R2115 PolarHBondContact O-NH1 3.29Å; E2065-R2115 PolarHBondContact O-N 3.47Å; I2113-R2115 HydrophobicContact CG2-CG 4.24Å; R2115-Y2293 HydrophobicContact CB-CD1 4.03Å; R2115-Y2293 HydrophobicContact CB-CG 4.05Å; R2115-Q2295 HydrophobicContact CG-CG 4.36Å
2116F87.5Confident84.4Confident1 Ų144.5 Ų44.50%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-87.1135.6172.3-54.1-76.8000109.7V2039 L2041 Y2052 M2054 A2056 V2114 L2150 Y2293 L2294 V2296V2039-F2116 HydrophobicContact CB-CE1 4.42Å; V2039-F2116 HydrophobicContact CB-CZ 4.43Å; V2039-F2116 HydrophobicContact CG1-CE1 4.23Å; V2039-F2116 HydrophobicContact CG1-CZ 3.85Å; L2041-F2116 HydrophobicContact CB-CD1 3.8Å; L2041-F2116 HydrophobicContact CB-CD2 4.25Å; L2041-F2116 HydrophobicContact CB-CE1 3.58Å; L2041-F2116 HydrophobicContact CB-CE2 4.05Å; L2041-F2116 HydrophobicContact CB-CG 4.14Å; L2041-F2116 HydrophobicContact CB-CZ 3.72Å; L2041-F2116 HydrophobicContact CD2-CD1 4.5Å; L2041-F2116 HydrophobicContact CD2-CD2 3.66Å; L2041-F2116 HydrophobicContact CD2-CE2 3.93Å; L2041-F2116 HydrophobicContact CD2-CG 3.99Å; L2041-F2116 HydrophobicContact CD2-CZ 4.45Å; Y2052-F2116 VanDerWaalsContact OH-CB 3.31Å; Y2052-F2116 WeakPolarHBondContact OH-CB 3.32Å; M2054-F2116 HydrophobicContact CB-CB 4.36Å; M2054-F2116 HydrophobicContact CB-CD1 4.31Å; M2054-F2116 HydrophobicContact CG-CB 3.79Å; M2054-F2116 HydrophobicContact CG-CD1 3.96Å; M2054-F2116 HydrophobicContact CG-CG 4.38Å; A2056-F2116 HydrophobicContact CB-CD1 4.07Å; A2056-F2116 HydrophobicContact CB-CE1 4.05Å; V2114-F2116 HydrophobicContact CB-CE2 4.4Å; V2114-F2116 HydrophobicContact CB-CZ 4.41Å; V2114-F2116 HydrophobicContact CG1-CD1 4.46Å; V2114-F2116 HydrophobicContact CG1-CD2 4.39Å; V2114-F2116 HydrophobicContact CG1-CE1 3.83Å; V2114-F2116 HydrophobicContact CG1-CE2 3.75Å; V2114-F2116 HydrophobicContact CG1-CZ 3.42Å; V2114-F2116 VanDerWaalsContact CG1-CZ 3.42Å; F2116-L2150 HydrophobicContact CE2-CD1 4.2Å; F2116-L2150 HydrophobicContact CZ-CD1 3.61Å; F2116-Y2293 WeakPolarHBondContact O-CD1 3.16Å; F2116-L2294 HydrophobicContact CB-CB 4.15Å; F2116-L2294 HydrophobicContact CB-CG 4.47Å; F2116-L2294 HydrophobicContact CD2-CG 4.39Å; F2116-L2294 WeakPolarHBondContact CD2-O 3.28Å; F2116-L2294 PolarHBondContact N-O 3.13Å; F2116-L2294 PolarHBondContact O-N 3.44Å; F2116-V2296 HydrophobicContact CE2-CB 4.31Å; F2116-V2296 HydrophobicContact CE2-CG2 3.97Å
2117R85.5Confident84.5Confident95 Ų9546 Ų4636%0.35822%0.222SC..  trans-65.1139.8177.6-53.5178.5-169.8154.911.3109.7Y2052 M2054 E2065 E2119 Y2293Y2052-R2117 WeakPolarHBondContact CE2-O 3.28Å; Y2052-R2117 PolarHBondContact OH-O 3.47Å; M2054-R2117 HydrophobicContact CE-CB 3.74Å; M2054-R2117 HydrophobicContact CE-CG 4.32Å; M2054-R2117 HydrophobicContact SD-CB 3.9Å; M2054-R2117 HydrophobicContact SD-CG 3.92Å; E2065-R2117 IonicContact OE1-CZ 2.63Å; E2065-R2117 IonicContact OE1-NE 3.82Å; E2065-R2117 PolarHBondContact OE1-NE 3.44Å; E2065-R2117 IonicContact OE1-NH2 3.93Å; E2065-R2117 PolarHBondContact OE1-NH2 3.38Å; E2065-R2117 IonicContact OE2-NH2 2.76Å; R2117-E2119 PolarHBondContact O-N 3.02Å; R2117-E2119 VanDerWaalsContact O-N 3.12Å; R2117-Y2293 HydrophobicContact CG-CE1 4.23Å
2118P84.2Confident84.5Confident0 Ų048 Ų480%023%0.228CC..SBendtrans-67.2-15.2-174.725.8-33.4000114.3I2266 A2267 T2286 R2291 P2292P2118-I2266 CarbonylContact O-C 3.56Å; P2118-I2266 WeakPolarHBondContact O-CA 3.47Å; P2118-A2267 PolarHBondContact O-N 3.4Å; P2118-T2286 HydrophobicContact CG-CG2 3.91Å; P2118-R2291 HydrophobicContact CB-CB 4.26Å; P2118-R2291 HydrophobicContact CG-CB 3.68Å; P2118-P2292 WeakPolarHBondContact CB-O 3.47Å
2119E85.6Confident84.4Confident40 Ų4048.7 Ų48.719%0.18724%0.239CC..BIsolated β-bridgetrans-102.5128.7180-69.7156.4-162.100109.1M2054 R2117 E2121 M2264 I2266 Y2288 S2289 R2291M2054-E2119 WeakPolarHBondContact CE-O 3.4Å; R2117-E2119 PolarHBondContact O-N 3.02Å; R2117-E2119 VanDerWaalsContact O-N 3.12Å; E2119-E2121 PolarHBondContact O-N 2.93Å; E2119-M2264 HydrophobicContact CB-CE 3.81Å; E2119-M2264 HydrophobicContact CG-CE 3.64Å; E2119-I2266 HydrophobicContact CG-CG1 4.05Å; E2119-Y2288 WeakPolarHBondContact OE2-CE2 3.42Å; E2119-S2289 WeakPolarHBondContact OE1-CB 3.32Å; E2119-S2289 PolarHBondContact OE1-OG 3.4Å; E2119-R2291 IonicContact OE1-CZ 3.18Å; E2119-R2291 IonicContact OE1-NH1 3.95Å; E2119-R2291 PolarHBondContact OE1-NH1 2.71Å
2120S86.3Confident84.7Confident15 Ų1546.3 Ų46.311%0.10523%0.231CC..  trans-54.9135177.4-174.80000111.6E2053 I2122 W2265E2053-S2120 PolarHBondContact N-OG 2.95Å; E2053-S2120 PolarHBondContact O-OG 2.95Å; S2120-I2122 VanDerWaalsContact C-N 3.25Å; S2120-I2122 PolarHBondContact O-N 3.34Å; S2120-I2122 PolarHBondContact OG-O 3.11Å; S2120-W2265 PolarHBondContact N-O 3.31Å; S2120-W2265 VanDerWaalsContact N-O 3.08Å
2121E84.2Confident84.6Confident109 Ų10947.1 Ų47.151%0.50923%0.234SC..SBendtrans-67.5-30.9178.9-175.4174.4-176.100111.6E2053 M2054 E2055 E2119E2053-E2121 WeakPolarHBondContact O-CB 3.45Å; E2053-E2121 PolarHBondContact O-N 3.46Å; M2054-E2121 HydrophobicContact CE-CB 3.74Å; M2054-E2121 HydrophobicContact SD-CB 4.37Å; E2055-E2121 PolarHBondContact N-OE2 3.16Å; E2055-E2121 VanDerWaalsContact N-OE2 3.15Å; E2119-E2121 PolarHBondContact O-N 2.93Å
2122I82.9Confident84.6Confident79 Ų7950.9 Ų50.941%0.40525%0.254SS..SBendtrans-111.4130.2-179.2-50.3-178.8000108.8E2053 S2120E2053-I2122 HydrophobicContact CB-CD1 4.47Å; E2053-I2122 HydrophobicContact CG-CD1 4.18Å; S2120-I2122 VanDerWaalsContact C-N 3.25Å; S2120-I2122 PolarHBondContact O-N 3.34Å; S2120-I2122 PolarHBondContact OG-O 3.11Å
2123Y84.1Confident84.5Confident138 Ų13852.1 Ų52.154%0.54127%0.267SS..  trans-61.5137.2167.7-68.2-69.8000110.2P2125 E2262 M2264Y2123-P2125 WeakPolarHBondContact O-CD 3.36Å; Y2123-E2262 HydrophobicContact CE1-CB 4.35Å; Y2123-M2264 HydrophobicContact CD1-CB 4.16Å; Y2123-M2264 HydrophobicContact CE1-CB 4.35Å
2124W84.4Confident84.3Confident9 Ų952.2 Ų52.23%0.03427%0.267CS..  trans-60.2107.1-170.8-176.539.1000112.2P2050 L2051 I2126 R2131 M2134 L2188 K2263 W2265P2050-W2124 VanDerWaalsContact O-CD1 3.24Å; L2051-W2124 HydrophobicContact CD2-CD2 4.44Å; L2051-W2124 HydrophobicContact CD2-CZ2 3.66Å; W2124-I2126 HydrophobicContact CD2-CB 4Å; W2124-I2126 HydrophobicContact CD2-CG2 3.56Å; W2124-I2126 HydrophobicContact CE3-CB 4.47Å; W2124-I2126 HydrophobicContact CE3-CG2 3.55Å; W2124-I2126 HydrophobicContact CG-CB 4.46Å; W2124-I2126 HydrophobicContact CG-CG2 4.31Å; W2124-I2126 HydrophobicContact CH2-CB 4.42Å; W2124-I2126 HydrophobicContact CH2-CD1 3.77Å; W2124-I2126 HydrophobicContact CH2-CG2 3.73Å; W2124-I2126 HydrophobicContact CZ2-CB 3.97Å; W2124-I2126 HydrophobicContact CZ2-CD1 3.24Å; W2124-I2126 HydrophobicContact CZ2-CG1 4.16Å; W2124-I2126 HydrophobicContact CZ2-CG2 3.78Å; W2124-I2126 HydrophobicContact CZ3-CG2 3.63Å; W2124-I2126 PolarHBondContact O-N 3.2Å; W2124-R2131 HydrophobicContact CH2-CG 4.34Å; W2124-M2134 HydrophobicContact CH2-SD 4.46Å; W2124-M2134 HydrophobicContact CZ2-CE 4.04Å; W2124-M2134 HydrophobicContact CZ2-SD 4.12Å; W2124-L2188 HydrophobicContact CH2-CD2 3.46Å; W2124-L2188 VanDerWaalsContact CH2-CD2 3.46Å; W2124-L2188 HydrophobicContact CZ2-CD2 4.09Å; W2124-L2188 HydrophobicContact CZ3-CD2 4.28Å; W2124-K2263 HydrophobicContact CE3-CB 4.46Å; W2124-K2263 PolarHBondContact N-O 3.44Å; W2124-W2265 AromaticContact CD2-NE1 3.3Å; W2124-W2265 VanDerWaalsContact CD2-NE1 3.3Å; W2124-W2265 AromaticContact CE2-NE1 3.81Å; W2124-W2265 HydrophobicContact CE3-CZ2 4.33Å; W2124-W2265 AromaticContact CE3-NE1 3.45Å; W2124-W2265 AromaticContact CG-CD1 3.86Å; W2124-W2265 AromaticContact CG-NE1 3.52Å; W2124-W2265 HydrophobicContact CH2-CZ2 4.27Å; W2124-W2265 HydrophobicContact CZ3-CZ2 4.1Å
2125P80.4Confident84.1Confident83 Ų8353.3 Ų53.354%0.53927%0.273SS..  trans-89.252.2-165.236.2-34.3000111.2P2049 Y2123P2049-P2125 HydrophobicContact CB-CG 4.05Å; Y2123-P2125 WeakPolarHBondContact O-CD 3.36Å
2126I80.8Confident84Confident26 Ų2654.4 Ų54.413%0.13328%0.281CS..  trans-92.6130.1-178.8-158.9165.1000111.2W2124 S2130 R2131 M2134W2124-I2126 HydrophobicContact CD2-CB 4Å; W2124-I2126 HydrophobicContact CD2-CG2 3.56Å; W2124-I2126 HydrophobicContact CE3-CB 4.47Å; W2124-I2126 HydrophobicContact CE3-CG2 3.55Å; W2124-I2126 HydrophobicContact CG-CB 4.46Å; W2124-I2126 HydrophobicContact CG-CG2 4.31Å; W2124-I2126 HydrophobicContact CH2-CB 4.42Å; W2124-I2126 HydrophobicContact CH2-CD1 3.77Å; W2124-I2126 HydrophobicContact CH2-CG2 3.73Å; W2124-I2126 HydrophobicContact CZ2-CB 3.97Å; W2124-I2126 HydrophobicContact CZ2-CD1 3.24Å; W2124-I2126 HydrophobicContact CZ2-CG1 4.16Å; W2124-I2126 HydrophobicContact CZ2-CG2 3.78Å; W2124-I2126 HydrophobicContact CZ3-CG2 3.63Å; W2124-I2126 PolarHBondContact O-N 3.2Å; I2126-S2130 WeakPolarHBondContact CG1-OG 3.28Å; I2126-R2131 HydrophobicContact CD1-CB 3.96Å; I2126-R2131 HydrophobicContact CG1-CB 4.16Å; I2126-R2131 HydrophobicContact CG2-CB 4.19Å; I2126-M2134 HydrophobicContact CD1-CE 3.9Å; I2126-M2134 HydrophobicContact CD1-SD 4.48Å
2127S83.8Confident83.6Confident64 Ų6457.6 Ų57.645%0.44830%0.295SS..  trans-69.4148.9167.276.50000109.9D2129 S2130 R2131S2127-D2129 PolarHBondContact O-N 3.33Å; S2127-S2130 WeakPolarHBondContact CA-OG 3.43Å; S2127-S2130 PolarHBondContact N-OG 3.3Å; S2127-S2130 PolarHBondContact O-N 3.02Å; S2127-S2130 VanDerWaalsContact O-N 3.09Å; S2127-S2130 PolarHBondContact O-OG 3.17Å; S2127-S2130 WeakPolarHBondContact OG-CB 3.48Å; S2127-S2130 PolarHBondContact OG-N 3.34Å; S2127-S2130 VanDerWaalsContact OG-N 3.07Å; S2127-S2130 PolarHBondContact OG-OG 3.3Å; S2127-R2131 PolarHBondContact O-N 2.84Å
2128Q81.2Confident83.1Confident101 Ų10153.1 Ų53.147%0.47228%0.279SS..Hα-helixtrans-59.2-32.3178.9-174.867.75.500111.6R2131 N2132Q2128-R2131 PolarHBondContact O-N 2.97Å; Q2128-N2132 WeakPolarHBondContact O-CB 3.33Å; Q2128-N2132 PolarHBondContact O-N 3.1Å; Q2128-N2132 PolarHBondContact O-ND2 3.3Å
2129D83.8Confident82.9Confident125 Ų12556.7 Ų56.767%0.66830%0.303SS*.Hα-helixtrans-67.7-46.1173.6-63.6-34.4000112.2S2127 R2131 N2132 A2133S2127-D2129 PolarHBondContact O-N 3.33Å; D2129-R2131 VanDerWaalsContact C-N 3.28Å; D2129-R2131 PolarHBondContact O-N 3.5Å; D2129-N2132 PolarHBondContact O-N 3.49Å; D2129-A2133 WeakPolarHBondContact O-CB 3.34Å; D2129-A2133 PolarHBondContact O-N 3.06Å
2130S84.4Confident82.3Confident28 Ų2861.8 Ų61.820%0.19632%0.321CS..Hα-helixtrans-65-30.4174.249.10000113Y2048 I2126 S2127 M2134Y2048-S2130 VanDerWaalsContact CE1-O 3.32Å; Y2048-S2130 WeakPolarHBondContact CE1-O 3.41Å; I2126-S2130 WeakPolarHBondContact CG1-OG 3.28Å; S2127-S2130 WeakPolarHBondContact CA-OG 3.43Å; S2127-S2130 PolarHBondContact N-OG 3.3Å; S2127-S2130 PolarHBondContact O-N 3.02Å; S2127-S2130 VanDerWaalsContact O-N 3.09Å; S2127-S2130 PolarHBondContact O-OG 3.17Å; S2127-S2130 WeakPolarHBondContact OG-CB 3.48Å; S2127-S2130 PolarHBondContact OG-N 3.34Å; S2127-S2130 VanDerWaalsContact OG-N 3.07Å; S2127-S2130 PolarHBondContact OG-OG 3.3Å; S2130-M2134 WeakPolarHBondContact O-CB 3.49Å; S2130-M2134 PolarHBondContact O-N 3.06Å
2131R82.8Confident81.6Confident22 Ų2267.9 Ų67.98%0.08335%0.352CS..Hα-helixtrans-68.8-44.3172.9-178.4-174.9177-152.53.1111.1W2124 I2126 S2127 Q2128 D2129 M2134 I2135 L2188 R2189W2124-R2131 HydrophobicContact CH2-CG 4.34Å; I2126-R2131 HydrophobicContact CD1-CB 3.96Å; I2126-R2131 HydrophobicContact CG1-CB 4.16Å; I2126-R2131 HydrophobicContact CG2-CB 4.19Å; S2127-R2131 PolarHBondContact O-N 2.84Å; Q2128-R2131 PolarHBondContact O-N 2.97Å; D2129-R2131 VanDerWaalsContact C-N 3.28Å; D2129-R2131 PolarHBondContact O-N 3.5Å; R2131-M2134 WeakPolarHBondContact O-CB 3.42Å; R2131-M2134 PolarHBondContact O-N 3.1Å; R2131-I2135 HydrophobicContact CG-CD1 4.23Å; R2131-I2135 VanDerWaalsContact O-CG1 3.3Å; R2131-I2135 WeakPolarHBondContact O-CG1 3.34Å; R2131-I2135 PolarHBondContact O-N 2.63Å; R2131-L2188 VanDerWaalsContact CZ-O 3.22Å; R2131-L2188 PolarHBondContact NE-O 3.45Å; R2131-L2188 PolarHBondContact NH2-O 3.31Å; R2131-R2189 PolarHBondContact NH2-O 2.98Å
2132N87Confident80.9Confident78 Ų7865.8 Ų65.842%0.41735%0.347SS..Hα-helixtrans-63.7-41.2174.1-69.2-19.2000111.3Q2128 D2129 I2135 D2136Q2128-N2132 WeakPolarHBondContact O-CB 3.33Å; Q2128-N2132 PolarHBondContact O-N 3.1Å; Q2128-N2132 PolarHBondContact O-ND2 3.3Å; D2129-N2132 PolarHBondContact O-N 3.49Å; N2132-I2135 PolarHBondContact O-N 3.34Å; N2132-D2136 WeakPolarHBondContact O-CB 3.31Å; N2132-D2136 PolarHBondContact O-N 2.96Å
2133A83.6Confident80.3Confident42 Ų4266.6 Ų66.635%0.34736%0.359SS..Hα-helixtrans-65.3-36174.500000112.5Y2048 D2129 D2136 K2137Y2048-A2133 PolarHBondContact OH-O 3.33Å; D2129-A2133 WeakPolarHBondContact O-CB 3.34Å; D2129-A2133 PolarHBondContact O-N 3.06Å; A2133-D2136 PolarHBondContact O-N 2.82Å; A2133-K2137 VanDerWaalsContact O-CB 3.24Å; A2133-K2137 WeakPolarHBondContact O-CB 3.33Å; A2133-K2137 PolarHBondContact O-N 3.35Å
2134M83.7Confident79.9Confident1 Ų160.1 Ų60.11%0.00533%0.334CS..Hα-helixtrans-64-47.1172.3-177.2-173.2-77.900111I2045 Y2048 W2124 I2126 S2130 R2131 D2136 K2137 L2138 L2188I2045-M2134 HydrophobicContact CB-CE 4.13Å; I2045-M2134 HydrophobicContact CD1-CE 3.96Å; I2045-M2134 HydrophobicContact CD1-SD 3.72Å; Y2048-M2134 HydrophobicContact CD1-CB 4.22Å; Y2048-M2134 HydrophobicContact CD1-CE 3.85Å; Y2048-M2134 HydrophobicContact CD2-CB 4.39Å; Y2048-M2134 HydrophobicContact CD2-CE 3.58Å; Y2048-M2134 HydrophobicContact CD2-CG 4.21Å; Y2048-M2134 HydrophobicContact CE1-CB 3.83Å; Y2048-M2134 HydrophobicContact CE2-CB 3.98Å; Y2048-M2134 HydrophobicContact CE2-CE 4.32Å; Y2048-M2134 HydrophobicContact CE2-CG 4.04Å; Y2048-M2134 HydrophobicContact CG-CE 3.3Å; Y2048-M2134 WeakPolarHBondContact OH-CA 3.37Å; Y2048-M2134 PolarHBondContact OH-N 3.01Å; W2124-M2134 HydrophobicContact CH2-SD 4.46Å; W2124-M2134 HydrophobicContact CZ2-CE 4.04Å; W2124-M2134 HydrophobicContact CZ2-SD 4.12Å; I2126-M2134 HydrophobicContact CD1-CE 3.9Å; I2126-M2134 HydrophobicContact CD1-SD 4.48Å; S2130-M2134 WeakPolarHBondContact O-CB 3.49Å; S2130-M2134 PolarHBondContact O-N 3.06Å; R2131-M2134 WeakPolarHBondContact O-CB 3.42Å; R2131-M2134 PolarHBondContact O-N 3.1Å; M2134-D2136 VanDerWaalsContact C-N 3.33Å; M2134-D2136 PolarHBondContact O-N 3.47Å; M2134-K2137 PolarHBondContact O-N 3.46Å; M2134-L2138 HydrophobicContact CG-CD1 4.03Å; M2134-L2138 WeakPolarHBondContact O-CB 3.48Å; M2134-L2138 WeakPolarHBondContact O-CD1 3.5Å; M2134-L2138 VanDerWaalsContact O-CG 3.28Å; M2134-L2138 WeakPolarHBondContact O-CG 3.4Å; M2134-L2138 PolarHBondContact O-N 2.87Å; M2134-L2188 HydrophobicContact CG-CD1 4.02Å; M2134-L2188 HydrophobicContact SD-CD1 3.7Å; M2134-L2188 HydrophobicContact SD-CD2 3.56Å; M2134-L2188 VanDerWaalsContact SD-CD2 3.56Å; M2134-L2188 HydrophobicContact SD-CG 4.32Å
2135I83.1Confident79.8Confident24 Ų2461.4 Ų61.412%0.12334%0.342CS..Hα-helixtrans-60.9-42176.2-67.9164.6000110.8R2131 N2132 L2138 S2139 L2188 R2189R2131-I2135 HydrophobicContact CG-CD1 4.23Å; R2131-I2135 VanDerWaalsContact O-CG1 3.3Å; R2131-I2135 WeakPolarHBondContact O-CG1 3.34Å; R2131-I2135 PolarHBondContact O-N 2.63Å; N2132-I2135 PolarHBondContact O-N 3.34Å; I2135-L2138 PolarHBondContact O-N 3.47Å; I2135-S2139 WeakPolarHBondContact O-CB 3.23Å; I2135-S2139 PolarHBondContact O-N 3.43Å; I2135-L2188 HydrophobicContact CD1-CB 4.24Å; I2135-L2188 HydrophobicContact CG1-CB 4Å; I2135-L2188 HydrophobicContact CG1-CD1 4.21Å; I2135-R2189 HydrophobicContact CD1-CG 4.38Å
2136D84Confident80Confident62 Ų6257.6 Ų57.633%0.33232%0.317SS..Hα-helixtrans-64.6-48.9174.9-178.324.2000112N2132 A2133 M2134 L2138 S2139 R2140N2132-D2136 WeakPolarHBondContact O-CB 3.31Å; N2132-D2136 PolarHBondContact O-N 2.96Å; A2133-D2136 PolarHBondContact O-N 2.82Å; M2134-D2136 VanDerWaalsContact C-N 3.33Å; M2134-D2136 PolarHBondContact O-N 3.47Å; D2136-L2138 PolarHBondContact O-N 3.17Å; D2136-S2139 WeakPolarHBondContact O-CA 3.49Å; D2136-S2139 WeakPolarHBondContact O-CB 3.44Å; D2136-S2139 PolarHBondContact O-N 3.37Å; D2136-S2139 PolarHBondContact O-OG 3.04Å; D2136-S2139 PolarHBondContact OD1-OG 3.45Å; D2136-R2140 VanDerWaalsContact CG-NE 3.31Å; D2136-R2140 WeakPolarHBondContact O-CG 3.4Å; D2136-R2140 PolarHBondContact O-N 3.08Å; D2136-R2140 IonicContact OD1-CZ 2.69Å; D2136-R2140 IonicContact OD1-NE 3.58Å; D2136-R2140 PolarHBondContact OD1-NE 3.27Å; D2136-R2140 IonicContact OD1-NH2 2.72Å; D2136-R2140 PolarHBondContact OD1-NH2 3.07Å; D2136-R2140 IonicContact OD2-CZ 2.84Å; D2136-R2140 VanDerWaalsContact OD2-CZ 3.29Å; D2136-R2140 IonicContact OD2-NE 3.17Å; D2136-R2140 PolarHBondContact OD2-NE 2.92Å; D2136-R2140 VanDerWaalsContact OD2-NE 3.17Å; D2136-R2140 IonicContact OD2-NH2 2.73Å; D2136-R2140 PolarHBondContact OD2-NH2 3.15Å
2137K79.6Confident80.3Confident68 Ų6859 Ų5930%0.29632%0.323SS..Hα-helixtrans-61.4-29.6177.8-164.2-174.7-178.4-172.60112.5E2046 Y2048 A2133 M2134 T2142 V2144E2046-K2137 PolarHBondContact O-NZ 3.15Å; E2046-K2137 VanDerWaalsContact O-NZ 3.12Å; Y2048-K2137 HydrophobicContact CE2-CD 3.93Å; A2133-K2137 VanDerWaalsContact O-CB 3.24Å; A2133-K2137 WeakPolarHBondContact O-CB 3.33Å; A2133-K2137 PolarHBondContact O-N 3.35Å; M2134-K2137 PolarHBondContact O-N 3.46Å; K2137-T2142 PolarHBondContact O-OG1 3.06Å; K2137-T2142 VanDerWaalsContact O-OG1 3.12Å; K2137-V2144 HydrophobicContact CD-CG2 4.15Å; K2137-V2144 HydrophobicContact CG-CG2 3.93Å
2138L75.6Confident80.5Confident2 Ų256 Ų561%0.0130%0.302CS..Hα-helixtrans-78.2-27.9171.8-73.2165.6000113.3M2134 I2135 D2136 I2174 R2181 I2184 Q2185 L2188M2134-L2138 HydrophobicContact CG-CD1 4.03Å; M2134-L2138 WeakPolarHBondContact O-CB 3.48Å; M2134-L2138 WeakPolarHBondContact O-CD1 3.5Å; M2134-L2138 VanDerWaalsContact O-CG 3.28Å; M2134-L2138 WeakPolarHBondContact O-CG 3.4Å; M2134-L2138 PolarHBondContact O-N 2.87Å; I2135-L2138 PolarHBondContact O-N 3.47Å; D2136-L2138 PolarHBondContact O-N 3.17Å; L2138-I2174 HydrophobicContact CD2-CD1 4.28Å; L2138-R2181 PolarHBondContact O-NH1 2.94Å; L2138-R2181 VanDerWaalsContact O-NH1 3.13Å; L2138-I2184 HydrophobicContact CD1-CG2 3.62Å; L2138-Q2185 HydrophobicContact CB-CG 4.4Å; L2138-L2188 HydrophobicContact CD1-CD1 3.34Å
2139S79.1Confident80.9Confident74 Ų7452.5 Ų52.552%0.51729%0.289SS..Hα-helixtrans-74.9-31.3174.4850000112.4I2135 D2136I2135-S2139 WeakPolarHBondContact O-CB 3.23Å; I2135-S2139 PolarHBondContact O-N 3.43Å; D2136-S2139 WeakPolarHBondContact O-CA 3.49Å; D2136-S2139 WeakPolarHBondContact O-CB 3.44Å; D2136-S2139 PolarHBondContact O-N 3.37Å; D2136-S2139 PolarHBondContact O-OG 3.04Å; D2136-S2139 PolarHBondContact OD1-OG 3.45Å
2140R73.7Confident81.2Confident148 Ų14846.6 Ų46.656%0.55826%0.257SS*.SBendtrans-76.1151.3176.2-66.4176.5-167.9-141.89.5111D2136 T2142 R2181D2136-R2140 VanDerWaalsContact CG-NE 3.31Å; D2136-R2140 WeakPolarHBondContact O-CG 3.4Å; D2136-R2140 PolarHBondContact O-N 3.08Å; D2136-R2140 IonicContact OD1-CZ 2.69Å; D2136-R2140 IonicContact OD1-NE 3.58Å; D2136-R2140 PolarHBondContact OD1-NE 3.27Å; D2136-R2140 IonicContact OD1-NH2 2.72Å; D2136-R2140 PolarHBondContact OD1-NH2 3.07Å; D2136-R2140 IonicContact OD2-CZ 2.84Å; D2136-R2140 VanDerWaalsContact OD2-CZ 3.29Å; D2136-R2140 IonicContact OD2-NE 3.17Å; D2136-R2140 PolarHBondContact OD2-NE 2.92Å; D2136-R2140 VanDerWaalsContact OD2-NE 3.17Å; D2136-R2140 IonicContact OD2-NH2 2.73Å; D2136-R2140 PolarHBondContact OD2-NH2 3.15Å; R2140-T2142 PolarHBondContact O-N 3.46Å; R2140-R2181 PolarHBondContact O-NH1 2.72Å
2141N71.9Confident81.5Confident143 Ų14346.8 Ų46.877%0.76526%0.255SS*.SBendtrans-75.128.8-177.1-147.928.1000113.9L2176N2141-L2176 WeakPolarHBondContact OD1-CD2 3.5Å
2142T69.4Low81.7Confident64 Ų6445.7 Ų45.739%0.39325%0.251SS..  trans-85.3141.2176.539.30000110.8K2137 R2140 V2144 R2181K2137-T2142 PolarHBondContact O-OG1 3.06Å; K2137-T2142 VanDerWaalsContact O-OG1 3.12Å; R2140-T2142 PolarHBondContact O-N 3.46Å; T2142-V2144 PolarHBondContact O-N 3.16Å; T2142-R2181 PolarHBondContact O-NH1 2.85Å; T2142-R2181 PolarHBondContact O-NH2 2.9Å
2143S69.8Low81.6Confident96 Ų9642.6 Ų42.667%0.67123%0.234SC*.  trans-64.8128.3164.644.90000109.1
2144V74.9Confident81.2Confident2 Ų240.8 Ų40.81%0.01222%0.219CC..  trans-125.1123.2172.6-179.90000105.6I2045 K2137 T2142 I2174I2045-V2144 HydrophobicContact CG2-CG1 3.39Å; K2137-V2144 HydrophobicContact CD-CG2 4.15Å; K2137-V2144 HydrophobicContact CG-CG2 3.93Å; T2142-V2144 PolarHBondContact O-N 3.16Å; V2144-I2174 HydrophobicContact CB-CD1 4.43Å; V2144-I2174 HydrophobicContact CG1-CD1 4.28Å; V2144-I2174 WeakPolarHBondContact O-CB 3.43Å; V2144-I2174 WeakPolarHBondContact O-CG1 3.42Å; V2144-I2174 PolarHBondContact O-N 3.27Å; V2144-I2174 VanDerWaalsContact O-N 3.12Å
2145N82.8Confident80.6Confident36 Ų3643.7 Ų43.719%0.19324%0.238CC..EExtended strand (participates in β ladder)trans-87.8146.9176.7-57.6-58000110.5E2046 L2171 P2173E2046-N2145 HydrophobicContact CB-CB 4.28Å; E2046-N2145 WeakPolarHBondContact CB-O 3.49Å; E2046-N2145 PolarHBondContact N-O 2.9Å; E2046-N2145 VanDerWaalsContact OE2-CB 3.29Å; E2046-N2145 WeakPolarHBondContact OE2-CB 3.43Å; E2046-N2145 PolarHBondContact OE2-N 3.23Å; E2046-N2145 PolarHBondContact OE2-ND2 2.9Å; N2145-L2171 HydrophobicContact CB-CB 4.46Å; N2145-L2171 HydrophobicContact CB-CD2 4.24Å; N2145-P2173 WeakPolarHBondContact OD1-CA 3.46Å
2146F84.1Confident79.7Confident3 Ų350.3 Ų50.31%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-95.9124.1165.7-170.9-100.6000107.5I2043 I2045 L2051 V2148 V2172 I2174 I2198 L2250 L2252I2043-F2146 HydrophobicContact CG2-CE1 3.56Å; I2043-F2146 HydrophobicContact CG2-CE2 3.88Å; I2043-F2146 HydrophobicContact CG2-CZ 3.1Å; I2045-F2146 HydrophobicContact CG1-CD2 4.03Å; I2045-F2146 HydrophobicContact CG1-CE2 4.47Å; L2051-F2146 HydrophobicContact CD1-CE2 3.87Å; F2146-V2148 HydrophobicContact CD1-CG2 3.99Å; F2146-V2148 HydrophobicContact CE1-CG2 3.79Å; F2146-V2172 HydrophobicContact CB-CB 4.38Å; F2146-V2172 PolarHBondContact N-O 3.02Å; F2146-V2172 PolarHBondContact O-N 3.24Å; F2146-I2174 HydrophobicContact CB-CD1 4.41Å; F2146-I2174 HydrophobicContact CB-CG1 4.17Å; F2146-I2198 HydrophobicContact CB-CD1 4.5Å; F2146-I2198 HydrophobicContact CD1-CD1 3.75Å; F2146-I2198 HydrophobicContact CD1-CG2 4.15Å; F2146-I2198 HydrophobicContact CD2-CD1 3.42Å; F2146-I2198 VanDerWaalsContact CD2-CD1 3.42Å; F2146-I2198 HydrophobicContact CE1-CD1 3.56Å; F2146-I2198 HydrophobicContact CE1-CG2 4.38Å; F2146-I2198 HydrophobicContact CE2-CD1 3.23Å; F2146-I2198 HydrophobicContact CG-CD1 3.65Å; F2146-I2198 HydrophobicContact CZ-CD1 3.27Å; F2146-L2250 HydrophobicContact CZ-CD2 4.47Å; F2146-L2252 HydrophobicContact CE2-CD1 4.04Å; F2146-L2252 HydrophobicContact CZ-CD1 3.86Å
2147E88.1Confident78.5Confident56 Ų5650.5 Ų50.526%0.26226%0.263SS..EExtended strand (participates in β ladder)trans-109.1119.1-174.7175.2171.9-150.600109.9S2044 S2169 L2171S2044-E2147 PolarHBondContact N-O 2.87Å; S2044-E2147 PolarHBondContact O-N 3.01Å; S2044-E2147 PolarHBondContact OG-O 3.46Å; E2147-S2169 VanDerWaalsContact OE1-CB 3.3Å; E2147-S2169 WeakPolarHBondContact OE1-CB 3.42Å; E2147-S2169 PolarHBondContact OE1-OG 3.08Å; E2147-L2171 HydrophobicContact CB-CD2 3.94Å; E2147-L2171 HydrophobicContact CG-CD2 4.15Å
2148V88.3Confident77.5Confident0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-106.4113.1169-178.60000107.2L2041 F2146 S2169 W2170 I2202L2041-V2148 HydrophobicContact CD1-CG1 3.84Å; F2146-V2148 HydrophobicContact CD1-CG2 3.99Å; F2146-V2148 HydrophobicContact CE1-CG2 3.79Å; V2148-S2169 CarbonylContact O-C 3.58Å; V2148-S2169 WeakPolarHBondContact O-CA 3.34Å; V2148-W2170 HydrophobicContact CB-CE3 4.38Å; V2148-W2170 HydrophobicContact CG1-CE3 4.18Å; V2148-W2170 PolarHBondContact N-O 2.95Å; V2148-W2170 PolarHBondContact O-N 3.35Å; V2148-I2202 HydrophobicContact CG1-CG1 4.43Å
2149S88.9Confident76.5Confident29 Ų2955.8 Ų55.820%0.20330%0.299CS..EExtended strand (participates in β ladder)trans-113.6128.7178.177.80000111R2042 K2168R2042-S2149 WeakPolarHBondContact CB-OG 3.43Å; R2042-S2149 PolarHBondContact N-O 3.42Å; R2042-S2149 PolarHBondContact O-N 3.45Å; S2149-K2168 WeakPolarHBondContact CA-O 3.39Å
2150L90.4Very high75.5Confident0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-118.8130.4175.5-175.670.2000109.5V2039 L2041 F2116 F2152 S2167 K2168 W2170 I2206 L2214 V2296V2039-L2150 HydrophobicContact CG1-CD1 3.75Å; V2039-L2150 HydrophobicContact CG1-CG 4.46Å; L2041-L2150 HydrophobicContact CB-CD1 4.12Å; L2041-L2150 HydrophobicContact CD1-CD1 4.22Å; F2116-L2150 HydrophobicContact CE2-CD1 4.2Å; F2116-L2150 HydrophobicContact CZ-CD1 3.61Å; L2150-F2152 HydrophobicContact CD2-CD2 4.36Å; L2150-F2152 HydrophobicContact CD2-CE2 3.58Å; L2150-F2152 HydrophobicContact CD2-CZ 4.33Å; L2150-F2152 HydrophobicContact CG-CD2 4.31Å; L2150-F2152 HydrophobicContact CG-CE2 3.97Å; L2150-S2167 CarbonylContact O-C 3.51Å; L2150-S2167 WeakPolarHBondContact O-CA 3.41Å; L2150-K2168 PolarHBondContact N-O 3.42Å; L2150-K2168 PolarHBondContact O-N 3.2Å; L2150-W2170 HydrophobicContact CB-CH2 4.01Å; L2150-W2170 HydrophobicContact CB-CZ3 3.71Å; L2150-W2170 HydrophobicContact CD2-CH2 4.19Å; L2150-W2170 HydrophobicContact CD2-CZ3 4.47Å; L2150-I2206 HydrophobicContact CD2-CD1 3.17Å; L2150-L2214 HydrophobicContact CB-CD1 4.34Å; L2150-L2214 HydrophobicContact CD2-CD1 4.23Å; L2150-L2214 HydrophobicContact CG-CD1 4.25Å; L2150-L2214 WeakPolarHBondContact O-CD1 3.4Å; L2150-V2296 HydrophobicContact CD2-CG1 4.38Å
2151E89.8Confident74.8Confident32 Ų3251.2 Ų51.215%0.1528%0.279CS..EExtended strand (participates in β ladder)trans-129.3120.2179.2171.7-176.9172.400109.8V2039 T2040 T2153 K2165 H2166V2039-E2151 WeakPolarHBondContact CA-O 3.28Å; T2040-E2151 PolarHBondContact N-O 3.25Å; T2040-E2151 PolarHBondContact O-N 3.24Å; T2040-E2151 WeakPolarHBondContact OG1-CB 3.43Å; T2040-E2151 PolarHBondContact OG1-O 2.94Å; E2151-T2153 HydrophobicContact CG-CG2 4.11Å; E2151-K2165 VanDerWaalsContact OE1-CD 3.28Å; E2151-K2165 WeakPolarHBondContact OE1-CD 3.27Å; E2151-K2165 WeakPolarHBondContact OE1-CE 3.17Å; E2151-K2165 WeakPolarHBondContact OE1-CG 3.43Å; E2151-K2165 IonicContact OE1-NZ 3.03Å; E2151-K2165 PolarHBondContact OE1-NZ 3.12Å; E2151-H2166 WeakPolarHBondContact CA-O 3.36Å
2152F88Confident74.1Confident0 Ų045.8 Ų45.80%025%0.253CS..EExtended strand (participates in β ladder)trans-96.3129.1168-72.1-103.6000108.6P2036 V2039 L2112 V2114 L2150 H2166 I2206 V2208 L2214P2036-F2152 HydrophobicContact CB-CD1 4.1Å; P2036-F2152 HydrophobicContact CG-CD1 4.02Å; V2039-F2152 HydrophobicContact CB-CD1 4.35Å; V2039-F2152 HydrophobicContact CG1-CD1 3.92Å; V2039-F2152 HydrophobicContact CG1-CD2 4.12Å; V2039-F2152 HydrophobicContact CG1-CE1 3.93Å; V2039-F2152 HydrophobicContact CG1-CE2 4.16Å; V2039-F2152 HydrophobicContact CG1-CG 4.02Å; V2039-F2152 HydrophobicContact CG1-CZ 4.06Å; V2039-F2152 HydrophobicContact CG2-CD1 3.46Å; V2039-F2152 VanDerWaalsContact CG2-CD1 3.46Å; V2039-F2152 HydrophobicContact CG2-CE1 3.71Å; V2039-F2152 HydrophobicContact CG2-CG 4.19Å; L2112-F2152 HydrophobicContact CD2-CE1 4.46Å; V2114-F2152 HydrophobicContact CG2-CE1 4.01Å; V2114-F2152 HydrophobicContact CG2-CZ 4.34Å; L2150-F2152 HydrophobicContact CD2-CD2 4.36Å; L2150-F2152 HydrophobicContact CD2-CE2 3.58Å; L2150-F2152 HydrophobicContact CD2-CZ 4.33Å; L2150-F2152 HydrophobicContact CG-CD2 4.31Å; L2150-F2152 HydrophobicContact CG-CE2 3.97Å; F2152-H2166 HydrophobicContact CB-CB 4.45Å; F2152-H2166 PolarHBondContact N-O 3.11Å; F2152-H2166 PolarHBondContact O-N 3.07Å; F2152-I2206 HydrophobicContact CE2-CG2 4.5Å; F2152-V2208 HydrophobicContact CB-CG1 4.44Å; F2152-V2208 HydrophobicContact CD1-CG2 4.07Å; F2152-V2208 HydrophobicContact CD2-CG2 4.19Å; F2152-V2208 HydrophobicContact CE1-CG2 4.07Å; F2152-V2208 HydrophobicContact CE2-CG2 4.17Å; F2152-V2208 HydrophobicContact CG-CG2 4.13Å; F2152-V2208 HydrophobicContact CZ-CG2 4.12Å; F2152-L2214 HydrophobicContact CD2-CD1 3.72Å; F2152-L2214 HydrophobicContact CD2-CD2 3.51Å; F2152-L2214 HydrophobicContact CD2-CG 4.26Å; F2152-L2214 HydrophobicContact CE2-CD1 4Å; F2152-L2214 HydrophobicContact CE2-CD2 4.01Å; F2152-L2214 HydrophobicContact CG-CD2 4.3Å
2153T84.5Confident73.7Confident12 Ų1244.2 Ų44.27%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-109.5126.4173.471.10000110.6P2036 E2037 K2038 E2151 L2164 K2165P2036-T2153 CarbonylContact C-O 3.55Å; P2036-T2153 WeakPolarHBondContact CA-O 3.38Å; P2036-T2153 WeakPolarHBondContact CB-O 3.25Å; E2037-T2153 PolarHBondContact N-O 3.43Å; K2038-T2153 HydrophobicContact CG-CG2 4.31Å; K2038-T2153 WeakPolarHBondContact CG-OG1 3.32Å; K2038-T2153 PolarHBondContact O-N 3.09Å; K2038-T2153 PolarHBondContact O-OG1 2.91Å; E2151-T2153 HydrophobicContact CG-CG2 4.11Å; T2153-L2164 CarbonylContact C-O 3.6Å; T2153-L2164 VanDerWaalsContact CA-O 3.26Å; T2153-L2164 WeakPolarHBondContact CA-O 3.35Å; T2153-K2165 HydrophobicContact CG2-CG 4.12Å
2154R75.9Confident73.5Confident4 Ų443.7 Ų43.72%0.01524%0.236CC..  trans-95.4145.7175.2-65.2-170.8-167-141.96.2110S2034 L2164 H2166 V2208 P2209 D2301S2034-R2154 PolarHBondContact OG-NH1 3.14Å; R2154-L2164 PolarHBondContact N-O 3.46Å; R2154-H2166 PolarHBondContact NE-NE2 3.25Å; R2154-V2208 PolarHBondContact NH2-O 3.5Å; R2154-P2209 PolarHBondContact NH2-O 3Å; R2154-P2209 VanDerWaalsContact NH2-O 3.16Å; R2154-D2301 PolarHBondContact NH1-O 2.76Å; R2154-D2301 PolarHBondContact NH2-O 3.2Å
2155P70.6Confident73.5Confident62 Ų6249 Ų4940%0.40326%0.259SS..  trans-60.3140.8174.226.6-34.6000110.3M2035 D2157M2035-P2155 WeakPolarHBondContact O-CD 3.34Å; P2155-D2157 PolarHBondContact O-N 2.9Å; P2155-D2157 VanDerWaalsContact O-N 3.16Å
2156Y63.4Low73.6Confident163 Ų16347.3 Ų47.364%0.63925%0.25SS*.  trans-79.497.5-177.1-177-105.9000111.6P2158 L2164Y2156-P2158 HydrophobicContact CE1-CB 3.92Å; Y2156-P2158 HydrophobicContact CE1-CG 4.41Å; Y2156-L2164 HydrophobicContact CD2-CD1 4.19Å; Y2156-L2164 HydrophobicContact CG-CD1 4.37Å
2157D59.6Low73.7Confident66 Ų6650.2 Ų50.235%0.35327%0.271SS..  trans-93.2112.5161.8-165.9-26.9000110.3P2155 N2159 E2160P2155-D2157 PolarHBondContact O-N 2.9Å; P2155-D2157 VanDerWaalsContact O-N 3.16Å; D2157-N2159 PolarHBondContact O-N 3.33Å; D2157-N2159 VanDerWaalsContact O-N 3.09Å; D2157-N2159 WeakPolarHBondContact OD1-CB 3.3Å; D2157-N2159 PolarHBondContact OD1-N 3.24Å; D2157-N2159 PolarHBondContact OD1-ND2 3.42Å; D2157-E2160 HydrophobicContact CB-CB 4.45Å; D2157-E2160 HydrophobicContact CB-CG 4.18Å; D2157-E2160 PolarHBondContact O-N 3.1Å
2158P58.4Low73.7Confident75 Ų7550.8 Ų50.849%0.48727%0.272SS..THydrogen-bonded Turntrans-61.9-15.2176.826.4-35000113.7Y2156Y2156-P2158 HydrophobicContact CE1-CB 3.92Å; Y2156-P2158 HydrophobicContact CE1-CG 4.41Å
2159N55.5Low73.6Confident106 Ų10653.5 Ų53.557%0.56729%0.291SS*.THydrogen-bonded Turntrans-82.4-23.3179.2-57.5-65.1000113.4D2157 S2306D2157-N2159 PolarHBondContact O-N 3.33Å; D2157-N2159 VanDerWaalsContact O-N 3.09Å; D2157-N2159 WeakPolarHBondContact OD1-CB 3.3Å; D2157-N2159 PolarHBondContact OD1-N 3.24Å; D2157-N2159 PolarHBondContact OD1-ND2 3.42Å; N2159-S2306 WeakPolarHBondContact O-CB 3.47Å; N2159-S2306 PolarHBondContact O-N 3.01Å; N2159-S2306 PolarHBondContact O-OG 2.64Å
2160E56.8Low73.5Confident35 Ų3553.1 Ų53.116%0.16429%0.285CS..THydrogen-bonded Turntrans-98.6-23.6-172.4-62-161.5153.700114.1T2032 D2157 A2162 A2303T2032-E2160 WeakPolarHBondContact CB-OE1 3.25Å; T2032-E2160 PolarHBondContact OG1-OE1 2.91Å; D2157-E2160 HydrophobicContact CB-CB 4.45Å; D2157-E2160 HydrophobicContact CB-CG 4.18Å; D2157-E2160 PolarHBondContact O-N 3.1Å; E2160-A2162 PolarHBondContact O-N 3.47Å; E2160-A2303 HydrophobicContact CB-CB 4.49Å; E2160-A2303 WeakPolarHBondContact OE2-CB 3.5Å
2161N58.7Low73.2Confident92 Ų9256.9 Ų56.949%0.49231%0.305SS..  trans51.936.4-173.2-70.8-42.4000113.4Q2211 S2306N2161-Q2211 PolarHBondContact O-NE2 3.44Å; N2161-S2306 VanDerWaalsContact ND2-CB 3.26Å; N2161-S2306 WeakPolarHBondContact ND2-CB 3.39Å
2162A58Low72.7Confident28 Ų2856.3 Ų56.323%0.23130%0.304CS..  trans-67.5152.3167.300000110.4E2160 L2164E2160-A2162 PolarHBondContact O-N 3.47Å; A2162-L2164 PolarHBondContact O-N 3.39Å
2163A60.6Low72.2Confident32 Ų3260.1 Ų60.126%0.26433%0.328SS..  trans-73.5127.5172.400000109.6K2165 H2166A2163-K2165 PolarHBondContact O-N 2.66Å; A2163-H2166 PolarHBondContact O-NE2 3.23Å
2164L66.5Low71.6Confident84 Ų8460.4 Ų60.444%0.4433%0.329SS..SBendtrans-59-34.8-178.4-170.478.8000112.5T2153 R2154 Y2156 A2162T2153-L2164 CarbonylContact C-O 3.6Å; T2153-L2164 VanDerWaalsContact CA-O 3.26Å; T2153-L2164 WeakPolarHBondContact CA-O 3.35Å; R2154-L2164 PolarHBondContact N-O 3.46Å; Y2156-L2164 HydrophobicContact CD2-CD1 4.19Å; Y2156-L2164 HydrophobicContact CG-CD1 4.37Å; A2162-L2164 PolarHBondContact O-N 3.39Å
2165K75.3Confident71.2Confident114 Ų11462.3 Ų62.350%0.49634%0.343SS..EExtended strand (participates in β ladder)trans-135.2125.1-172.2-66.4171.8167.2-93.90109.2E2151 T2153 A2163E2151-K2165 VanDerWaalsContact OE1-CD 3.28Å; E2151-K2165 WeakPolarHBondContact OE1-CD 3.27Å; E2151-K2165 WeakPolarHBondContact OE1-CE 3.17Å; E2151-K2165 WeakPolarHBondContact OE1-CG 3.43Å; E2151-K2165 IonicContact OE1-NZ 3.03Å; E2151-K2165 PolarHBondContact OE1-NZ 3.12Å; T2153-K2165 HydrophobicContact CG2-CG 4.12Å; A2163-K2165 PolarHBondContact O-N 2.66Å
2166H84.4Confident71Confident1 Ų164.8 Ų64.81%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-114.599.9171.7-61.1-87.7000108.2E2151 F2152 R2154 A2163 V2208 P2209 G2212 L2214E2151-H2166 WeakPolarHBondContact CA-O 3.36Å; F2152-H2166 HydrophobicContact CB-CB 4.45Å; F2152-H2166 PolarHBondContact N-O 3.11Å; F2152-H2166 PolarHBondContact O-N 3.07Å; R2154-H2166 PolarHBondContact NE-NE2 3.25Å; A2163-H2166 PolarHBondContact O-NE2 3.23Å; H2166-V2208 HydrophobicContact CB-CG1 4.18Å; H2166-P2209 PolarHBondContact CE1-O 3.08Å; H2166-P2209 PolarHBondContact ND1-O 3.05Å; H2166-P2209 PolarHBondContact NE2-O 3.28Å; H2166-G2212 PolarHBondContact ND1-O 3.3Å; H2166-L2214 HydrophobicContact CB-CD2 3.7Å; H2166-L2214 HydrophobicContact CB-CG 4.26Å
2167S86.2Confident71.1Confident63 Ų6361.4 Ų61.444%0.44135%0.345SS..EExtended strand (participates in β ladder)trans-111.1146.9-177.155.60000112L2150L2150-S2167 CarbonylContact O-C 3.51Å; L2150-S2167 WeakPolarHBondContact O-CA 3.41Å
2168K87.8Confident71.5Confident69 Ų6966.1 Ų66.130%0.337%0.367SS..EExtended strand (participates in β ladder)trans-144.2134.6165.2-167.276.8-166-178.40109.7S2149 L2150 W2170 E2213 L2214S2149-K2168 WeakPolarHBondContact CA-O 3.39Å; L2150-K2168 PolarHBondContact N-O 3.42Å; L2150-K2168 PolarHBondContact O-N 3.2Å; K2168-W2170 HydrophobicContact CB-CH2 4.33Å; K2168-W2170 HydrophobicContact CB-CZ2 4.15Å; K2168-W2170 HydrophobicContact CG-CZ2 3.98Å; K2168-E2213 HydrophobicContact CD-CB 4.23Å; K2168-E2213 WeakPolarHBondContact CD-OE2 3.46Å; K2168-E2213 IonicContact NZ-OE2 2.74Å; K2168-E2213 PolarHBondContact NZ-OE2 3.01Å; K2168-L2214 HydrophobicContact CB-CB 3.92Å; K2168-L2214 HydrophobicContact CB-CD1 4.06Å; K2168-L2214 HydrophobicContact CB-CG 4.3Å
2169S86.3Confident72.1Confident56 Ų5667 Ų6739%0.39237%0.372SS..EExtended strand (participates in β ladder)trans-107.8140.2166.754.10000111.5E2147 V2148E2147-S2169 VanDerWaalsContact OE1-CB 3.3Å; E2147-S2169 WeakPolarHBondContact OE1-CB 3.42Å; E2147-S2169 PolarHBondContact OE1-OG 3.08Å; V2148-S2169 CarbonylContact O-C 3.58Å; V2148-S2169 WeakPolarHBondContact O-CA 3.34Å
2170W86Confident72.7Confident22 Ų2264.8 Ų64.88%0.08336%0.359CS..EExtended strand (participates in β ladder)trans-110.3120.3172.1-60.1-81.3000108.7V2148 L2150 K2168 P2203 I2206 F2247V2148-W2170 HydrophobicContact CB-CE3 4.38Å; V2148-W2170 HydrophobicContact CG1-CE3 4.18Å; V2148-W2170 PolarHBondContact N-O 2.95Å; V2148-W2170 PolarHBondContact O-N 3.35Å; L2150-W2170 HydrophobicContact CB-CH2 4.01Å; L2150-W2170 HydrophobicContact CB-CZ3 3.71Å; L2150-W2170 HydrophobicContact CD2-CH2 4.19Å; L2150-W2170 HydrophobicContact CD2-CZ3 4.47Å; K2168-W2170 HydrophobicContact CB-CH2 4.33Å; K2168-W2170 HydrophobicContact CB-CZ2 4.15Å; K2168-W2170 HydrophobicContact CG-CZ2 3.98Å; W2170-P2203 HydrophobicContact CD2-CG 4.47Å; W2170-P2203 HydrophobicContact CH2-CG 3.73Å; W2170-P2203 HydrophobicContact CZ2-CG 3.54Å; W2170-P2203 HydrophobicContact CZ3-CG 4.24Å; W2170-I2206 HydrophobicContact CH2-CD1 3.93Å; W2170-F2247 HydrophobicContact CG-CE2 4.45Å
2171L85Confident73.6Confident78 Ų7863.8 Ų63.841%0.40835%0.354SS..EExtended strand (participates in β ladder)trans-94.8114.7175.6-62.5171.3000109.2N2145 E2147 R2244N2145-L2171 HydrophobicContact CB-CB 4.46Å; N2145-L2171 HydrophobicContact CB-CD2 4.24Å; E2147-L2171 HydrophobicContact CB-CD2 3.94Å; E2147-L2171 HydrophobicContact CG-CD2 4.15Å; L2171-R2244 PolarHBondContact O-NH2 3.42Å
2172V78.9Confident74.4Confident21 Ų2161.6 Ų61.613%0.12735%0.348CS..EExtended strand (participates in β ladder)trans-105.8114.7176.2-178.40000108.2F2146 I2174 I2198F2146-V2172 HydrophobicContact CB-CB 4.38Å; F2146-V2172 PolarHBondContact N-O 3.02Å; F2146-V2172 PolarHBondContact O-N 3.24Å; V2172-I2174 PolarHBondContact O-N 3.41Å; V2172-I2198 HydrophobicContact CG1-CG2 4.12Å
2173P77.4Confident75.3Confident79 Ų7966 Ų6651%0.51336%0.363SS..EExtended strand (participates in β ladder)trans-70.3125.2179.728.1-33.2000110.5N2145 S2175N2145-P2173 WeakPolarHBondContact OD1-CA 3.46Å; P2173-S2175 PolarHBondContact O-N 3.17Å
2174I73Confident76.1Confident19 Ų1964.8 Ų64.810%0.09735%0.351CS..PPolyproline II helixtrans-71.6119.2173.5-59.1171.4000107.9L2138 V2144 F2146 V2172 R2181 I2184L2138-I2174 HydrophobicContact CD2-CD1 4.28Å; V2144-I2174 HydrophobicContact CB-CD1 4.43Å; V2144-I2174 HydrophobicContact CG1-CD1 4.28Å; V2144-I2174 WeakPolarHBondContact O-CB 3.43Å; V2144-I2174 WeakPolarHBondContact O-CG1 3.42Å; V2144-I2174 PolarHBondContact O-N 3.27Å; V2144-I2174 VanDerWaalsContact O-N 3.12Å; F2146-I2174 HydrophobicContact CB-CD1 4.41Å; F2146-I2174 HydrophobicContact CB-CG1 4.17Å; V2172-I2174 PolarHBondContact O-N 3.41Å; I2174-R2181 HydrophobicContact CG2-CG 4.37Å; I2174-I2184 HydrophobicContact CD1-CD1 4.41Å; I2174-I2184 HydrophobicContact CG2-CD1 3.9Å
2175S67.8Low76.6Confident43 Ų4362.6 Ų62.630%0.30134%0.339SS..PPolyproline II helixtrans-56.8155.9-175.378.20000112.1P2173 D2177 R2181P2173-S2175 PolarHBondContact O-N 3.17Å; S2175-D2177 PolarHBondContact O-N 3.14Å; S2175-D2177 WeakPolarHBondContact OG-CB 3.45Å; S2175-D2177 PolarHBondContact OG-N 3.04Å; S2175-D2177 PolarHBondContact OG-OD2 3.02Å; S2175-R2181 PolarHBondContact O-NE 3.32Å
2176L65.1Low76.9Confident115 Ų11558.1 Ų58.160%0.60232%0.322SS*.SBendtrans-73.71.4175.9-67.3165000112.2N2141 M2178N2141-L2176 WeakPolarHBondContact OD1-CD2 3.5Å; L2176-M2178 PolarHBondContact O-N 3.45Å
2177D66.4Low76.6Confident92 Ų9258.2 Ų58.249%0.49232%0.323SS..  trans-63.4118.9178.3-69.4-54000111.4S2175 T2179 I2180 R2181S2175-D2177 PolarHBondContact O-N 3.14Å; S2175-D2177 WeakPolarHBondContact OG-CB 3.45Å; S2175-D2177 PolarHBondContact OG-N 3.04Å; S2175-D2177 PolarHBondContact OG-OD2 3.02Å; D2177-T2179 PolarHBondContact O-N 2.98Å; D2177-T2179 VanDerWaalsContact O-N 3.08Å; D2177-I2180 PolarHBondContact O-N 2.98Å; D2177-R2181 PolarHBondContact O-N 3.4Å; D2177-R2181 VanDerWaalsContact O-N 3.12Å
2178M68.4Low76.3Confident165 Ų16555.2 Ų55.281%0.81330%0.302SS*.Hα-helixtrans-58.3-25178.3-158.7174.4-7200112.1L2176 A2182L2176-M2178 PolarHBondContact O-N 3.45Å; M2178-A2182 WeakPolarHBondContact O-CB 3.4Å; M2178-A2182 PolarHBondContact O-N 3.06Å
2179T71.1Confident75.8Confident94 Ų9459.5 Ų59.558%0.57732%0.316SS*.Hα-helixtrans-73-44.5178.956.10000113.4D2177 K2183D2177-T2179 PolarHBondContact O-N 2.98Å; D2177-T2179 VanDerWaalsContact O-N 3.08Å; T2179-K2183 WeakPolarHBondContact O-CG 3.28Å; T2179-K2183 PolarHBondContact O-N 2.94Å; T2179-K2183 VanDerWaalsContact O-N 3.11Å
2180I67.8Low75Confident59 Ų5957.6 Ų57.630%0.30331%0.305SS..Hα-helixtrans-72.3-43.3177.9-66.8170000109.3D2177 A2182 K2183 I2184D2177-I2180 PolarHBondContact O-N 2.98Å; I2180-A2182 VanDerWaalsContact C-N 3.34Å; I2180-A2182 PolarHBondContact O-N 3.05Å; I2180-K2183 PolarHBondContact O-N 2.93Å; I2180-I2184 HydrophobicContact CG2-CD1 3.99Å; I2180-I2184 WeakPolarHBondContact O-CG1 3.36Å; I2180-I2184 PolarHBondContact O-N 3.4Å
2181R74.3Confident74.2Confident13 Ų1360.4 Ų60.45%0.04932%0.322CS..Hα-helixtrans-60.7-40.7174.2-70.1178171.7-127.20.3112.3L2138 R2140 T2142 I2174 S2175 D2177 I2184 Q2185L2138-R2181 PolarHBondContact O-NH1 2.94Å; L2138-R2181 VanDerWaalsContact O-NH1 3.13Å; R2140-R2181 PolarHBondContact O-NH1 2.72Å; T2142-R2181 PolarHBondContact O-NH1 2.85Å; T2142-R2181 PolarHBondContact O-NH2 2.9Å; I2174-R2181 HydrophobicContact CG2-CG 4.37Å; S2175-R2181 PolarHBondContact O-NE 3.32Å; D2177-R2181 PolarHBondContact O-N 3.4Å; D2177-R2181 VanDerWaalsContact O-N 3.12Å; R2181-I2184 PolarHBondContact O-N 2.94Å; R2181-Q2185 WeakPolarHBondContact O-CB 3.29Å; R2181-Q2185 WeakPolarHBondContact O-CG 3.39Å; R2181-Q2185 PolarHBondContact O-N 2.99Å
2182A76.5Confident73.3Confident46 Ų4662.7 Ų62.738%0.3834%0.341SS..Hα-helixtrans-64.5-38.9174.500000112.9M2178 I2180 Q2185 S2186M2178-A2182 WeakPolarHBondContact O-CB 3.4Å; M2178-A2182 PolarHBondContact O-N 3.06Å; I2180-A2182 VanDerWaalsContact C-N 3.34Å; I2180-A2182 PolarHBondContact O-N 3.05Å; A2182-Q2185 PolarHBondContact O-N 3.2Å; A2182-S2186 PolarHBondContact O-N 3.12Å; A2182-S2186 PolarHBondContact O-OG 2.64Å
2183K75.8Confident72.7Confident122 Ų12265 Ų6553%0.5337%0.37SS..Hα-helixtrans-64.4-42173.8-74.4177.5179.1-174.60112.5T2179 I2180 Q2185 S2186 A2187T2179-K2183 WeakPolarHBondContact O-CG 3.28Å; T2179-K2183 PolarHBondContact O-N 2.94Å; T2179-K2183 VanDerWaalsContact O-N 3.11Å; I2180-K2183 PolarHBondContact O-N 2.93Å; K2183-Q2185 VanDerWaalsContact C-N 3.34Å; K2183-S2186 PolarHBondContact O-N 2.98Å; K2183-S2186 PolarHBondContact O-OG 3.41Å; K2183-S2186 VanDerWaalsContact O-OG 3.13Å; K2183-A2187 VanDerWaalsContact O-CB 3.3Å; K2183-A2187 WeakPolarHBondContact O-CB 3.39Å; K2183-A2187 PolarHBondContact O-N 3.03Å
2184I77.8Confident72.5Confident5 Ų565.3 Ų65.33%0.02636%0.364CS..Hα-helixtrans-63.7-42.5173.5-63.5166.8000109.8L2138 I2174 I2180 R2181 L2188 I2196L2138-I2184 HydrophobicContact CD1-CG2 3.62Å; I2174-I2184 HydrophobicContact CD1-CD1 4.41Å; I2174-I2184 HydrophobicContact CG2-CD1 3.9Å; I2180-I2184 HydrophobicContact CG2-CD1 3.99Å; I2180-I2184 WeakPolarHBondContact O-CG1 3.36Å; I2180-I2184 PolarHBondContact O-N 3.4Å; R2181-I2184 PolarHBondContact O-N 2.94Å; I2184-L2188 HydrophobicContact CG2-CD1 3.71Å; I2184-L2188 HydrophobicContact CG2-CG 4.18Å; I2184-L2188 VanDerWaalsContact O-CB 3.26Å; I2184-L2188 WeakPolarHBondContact O-CB 3.44Å; I2184-L2188 WeakPolarHBondContact O-CG 3.2Å; I2184-L2188 PolarHBondContact O-N 3.36Å; I2184-I2196 HydrophobicContact CD1-CG2 4.47Å; I2184-I2196 HydrophobicContact CG1-CD1 4.37Å; I2184-I2196 HydrophobicContact CG1-CG1 4.24Å; I2184-I2196 HydrophobicContact CG1-CG2 3.86Å; I2184-I2196 HydrophobicContact CG2-CD1 4.24Å
2185Q78.6Confident72.7Confident39 Ų3967.4 Ų67.418%0.18238%0.379CS..Hα-helixtrans-64-41177.6-73.4168.316.200113.4L2138 R2181 A2182 K2183 L2188 R2189L2138-Q2185 HydrophobicContact CB-CG 4.4Å; R2181-Q2185 WeakPolarHBondContact O-CB 3.29Å; R2181-Q2185 WeakPolarHBondContact O-CG 3.39Å; R2181-Q2185 PolarHBondContact O-N 2.99Å; A2182-Q2185 PolarHBondContact O-N 3.2Å; K2183-Q2185 VanDerWaalsContact C-N 3.34Å; Q2185-L2188 PolarHBondContact O-N 2.58Å; Q2185-R2189 VanDerWaalsContact O-CG 3.28Å; Q2185-R2189 WeakPolarHBondContact O-CG 3.42Å; Q2185-R2189 PolarHBondContact O-N 2.87Å
2186S80.4Confident73.2Confident19 Ų1965.7 Ų65.713%0.13337%0.366CS..Hα-helixtrans-70.4-41.7176.855.40000112.1A2182 K2183 L2188 R2189 G2190 D2191A2182-S2186 PolarHBondContact O-N 3.12Å; A2182-S2186 PolarHBondContact O-OG 2.64Å; K2183-S2186 PolarHBondContact O-N 2.98Å; K2183-S2186 PolarHBondContact O-OG 3.41Å; K2183-S2186 VanDerWaalsContact O-OG 3.13Å; S2186-L2188 VanDerWaalsContact C-N 3.34Å; S2186-L2188 PolarHBondContact O-N 3.15Å; S2186-R2189 PolarHBondContact O-N 3.33Å; S2186-R2189 VanDerWaalsContact O-N 3.14Å; S2186-G2190 PolarHBondContact O-N 3.45Å; S2186-G2190 VanDerWaalsContact O-N 3.09Å; S2186-D2191 PolarHBondContact O-N 3.4Å
2187A78.6Confident74Confident4 Ų464.8 Ų64.83%0.03336%0.361CS..Hα-helixtrans-57.1-46.4170.300000111.7K2183 R2189 G2190 H2194 I2196 L2254K2183-A2187 VanDerWaalsContact O-CB 3.3Å; K2183-A2187 WeakPolarHBondContact O-CB 3.39Å; K2183-A2187 PolarHBondContact O-N 3.03Å; A2187-R2189 VanDerWaalsContact C-N 3.31Å; A2187-R2189 PolarHBondContact O-N 3.01Å; A2187-G2190 PolarHBondContact O-N 3.24Å; A2187-G2190 VanDerWaalsContact O-N 3.08Å; A2187-H2194 HydrophobicContact CB-CB 4.47Å; A2187-H2194 WeakPolarHBondContact CB-O 3.39Å; A2187-I2196 HydrophobicContact CB-CD1 3.8Å; A2187-I2196 HydrophobicContact CB-CG1 3.62Å; A2187-L2254 WeakPolarHBondContact O-CD2 3.41Å
2188L78.7Confident74.6Confident0 Ų061 Ų610%034%0.341CS..Hα-helixtrans-66.7-26.5176.6-72.3172.2000113.7W2124 R2131 M2134 I2135 L2138 I2184 Q2185 S2186 G2190 W2265W2124-L2188 HydrophobicContact CH2-CD2 3.46Å; W2124-L2188 VanDerWaalsContact CH2-CD2 3.46Å; W2124-L2188 HydrophobicContact CZ2-CD2 4.09Å; W2124-L2188 HydrophobicContact CZ3-CD2 4.28Å; R2131-L2188 VanDerWaalsContact CZ-O 3.22Å; R2131-L2188 PolarHBondContact NE-O 3.45Å; R2131-L2188 PolarHBondContact NH2-O 3.31Å; M2134-L2188 HydrophobicContact CG-CD1 4.02Å; M2134-L2188 HydrophobicContact SD-CD1 3.7Å; M2134-L2188 HydrophobicContact SD-CD2 3.56Å; M2134-L2188 VanDerWaalsContact SD-CD2 3.56Å; M2134-L2188 HydrophobicContact SD-CG 4.32Å; I2135-L2188 HydrophobicContact CD1-CB 4.24Å; I2135-L2188 HydrophobicContact CG1-CB 4Å; I2135-L2188 HydrophobicContact CG1-CD1 4.21Å; L2138-L2188 HydrophobicContact CD1-CD1 3.34Å; I2184-L2188 HydrophobicContact CG2-CD1 3.71Å; I2184-L2188 HydrophobicContact CG2-CG 4.18Å; I2184-L2188 VanDerWaalsContact O-CB 3.26Å; I2184-L2188 WeakPolarHBondContact O-CB 3.44Å; I2184-L2188 WeakPolarHBondContact O-CG 3.2Å; I2184-L2188 PolarHBondContact O-N 3.36Å; Q2185-L2188 PolarHBondContact O-N 2.58Å; S2186-L2188 VanDerWaalsContact C-N 3.34Å; S2186-L2188 PolarHBondContact O-N 3.15Å; L2188-G2190 VanDerWaalsContact C-N 3.32Å; L2188-W2265 HydrophobicContact CD2-CH2 4.33Å; L2188-W2265 HydrophobicContact CD2-CZ2 4.04Å
2189R78.2Confident75Confident159 Ų15956.7 Ų56.760%0.633%0.326SS*.Hα-helixtrans-73.6-25171.6-77.8172.8-177.8-174.42.1112.5R2131 I2135 Q2185 S2186 A2187R2131-R2189 PolarHBondContact NH2-O 2.98Å; I2135-R2189 HydrophobicContact CD1-CG 4.38Å; Q2185-R2189 VanDerWaalsContact O-CG 3.28Å; Q2185-R2189 WeakPolarHBondContact O-CG 3.42Å; Q2185-R2189 PolarHBondContact O-N 2.87Å; S2186-R2189 PolarHBondContact O-N 3.33Å; S2186-R2189 VanDerWaalsContact O-N 3.14Å; A2187-R2189 VanDerWaalsContact C-N 3.31Å; A2187-R2189 PolarHBondContact O-N 3.01Å
2190G68.5Low75.4Confident15 Ų1554.6 Ų54.616%0.15531%0.309CS..THydrogen-bonded Turntrans97.823.2176.400000113.8S2186 A2187 L2188 P2192 Q2256S2186-G2190 PolarHBondContact O-N 3.45Å; S2186-G2190 VanDerWaalsContact O-N 3.09Å; A2187-G2190 PolarHBondContact O-N 3.24Å; A2187-G2190 VanDerWaalsContact O-N 3.08Å; L2188-G2190 VanDerWaalsContact C-N 3.32Å; G2190-P2192 WeakPolarHBondContact O-CD 3.07Å; G2190-Q2256 PolarHBondContact O-NE2 3.2Å
2191D69.7Low76Confident82 Ų8251.8 Ų51.844%0.43930%0.295SS..  trans-71.3113.6173.8-67-42.3000109.7S2186 G2193S2186-D2191 PolarHBondContact O-N 3.4Å; D2191-G2193 PolarHBondContact O-N 2.94Å
2192P65.9Low76.6Confident125 Ų12551.2 Ų51.281%0.81229%0.293SS*.THydrogen-bonded Turntrans-62.8132.9-177.725.8-33.7000111G2190G2190-P2192 WeakPolarHBondContact O-CD 3.07Å
2193G66.8Low77Confident71 Ų7149 Ų4973%0.73228%0.275SS*.THydrogen-bonded Turntrans107.16.3176.500000116.8D2191 P2195D2191-G2193 PolarHBondContact O-N 2.94Å; G2193-P2195 WeakPolarHBondContact O-CD 3.48Å
2194H74.5Confident77.3Confident84 Ų8443.5 Ų43.539%0.38925%0.252SS..  trans-108.689.7178.4-6791.1000112.8A2187A2187-H2194 HydrophobicContact CB-CB 4.47Å; A2187-H2194 WeakPolarHBondContact CB-O 3.39Å
2195P75.4Confident77.8Confident63 Ų6343.4 Ų43.441%0.40925%0.251SS..  trans-68.1136.5173.726.3-33.7000111.9G2193 L2197 N2253G2193-P2195 WeakPolarHBondContact O-CD 3.48Å; P2195-L2197 PolarHBondContact O-N 3.46Å; P2195-N2253 WeakPolarHBondContact CA-OD1 3.22Å; P2195-N2253 VanDerWaalsContact CB-OD1 3.31Å; P2195-N2253 WeakPolarHBondContact CB-OD1 3.5Å
2196I78.7Confident78.3Confident8 Ų841.6 Ų41.64%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-86.1104.1168.7-59.3174.7000107.9I2184 A2187 I2198 T2251 L2252 W2265I2184-I2196 HydrophobicContact CD1-CG2 4.47Å; I2184-I2196 HydrophobicContact CG1-CD1 4.37Å; I2184-I2196 HydrophobicContact CG1-CG1 4.24Å; I2184-I2196 HydrophobicContact CG1-CG2 3.86Å; I2184-I2196 HydrophobicContact CG2-CD1 4.24Å; A2187-I2196 HydrophobicContact CB-CD1 3.8Å; A2187-I2196 HydrophobicContact CB-CG1 3.62Å; I2196-I2198 HydrophobicContact CG2-CD1 3.84Å; I2196-I2198 HydrophobicContact CG2-CG1 3.88Å; I2196-T2251 CarbonylContact O-C 3.42Å; I2196-T2251 WeakPolarHBondContact O-CA 3.32Å; I2196-L2252 HydrophobicContact CB-CB 4.18Å; I2196-L2252 PolarHBondContact N-O 2.99Å; I2196-L2252 PolarHBondContact O-N 3.01Å; I2196-W2265 HydrophobicContact CD1-CH2 3.64Å; I2196-W2265 HydrophobicContact CD1-CZ3 3.65Å; I2196-W2265 HydrophobicContact CG1-CZ3 4.46Å
2197L81.7Confident78.7Confident95 Ų9542.3 Ų42.350%0.49724%0.244SC..EExtended strand (participates in β ladder)trans-91.8121.8172.8177.168.6000110P2195 T2251P2195-L2197 PolarHBondContact O-N 3.46Å; L2197-T2251 HydrophobicContact CB-CG2 4.4Å; L2197-T2251 HydrophobicContact CD1-CG2 3.47Å; L2197-T2251 VanDerWaalsContact CD1-CG2 3.47Å
2198I79.4Confident79.1Confident12 Ų1242.2 Ų42.26%0.06224%0.243CC..EExtended strand (participates in β ladder)trans-120.8107175.7-62.6170.6000108.2F2146 V2172 I2196 S2249 L2250F2146-I2198 HydrophobicContact CB-CD1 4.5Å; F2146-I2198 HydrophobicContact CD1-CD1 3.75Å; F2146-I2198 HydrophobicContact CD1-CG2 4.15Å; F2146-I2198 HydrophobicContact CD2-CD1 3.42Å; F2146-I2198 VanDerWaalsContact CD2-CD1 3.42Å; F2146-I2198 HydrophobicContact CE1-CD1 3.56Å; F2146-I2198 HydrophobicContact CE1-CG2 4.38Å; F2146-I2198 HydrophobicContact CE2-CD1 3.23Å; F2146-I2198 HydrophobicContact CG-CD1 3.65Å; F2146-I2198 HydrophobicContact CZ-CD1 3.27Å; V2172-I2198 HydrophobicContact CG1-CG2 4.12Å; I2196-I2198 HydrophobicContact CG2-CD1 3.84Å; I2196-I2198 HydrophobicContact CG2-CG1 3.88Å; I2198-S2249 WeakPolarHBondContact O-CA 3.34Å; I2198-L2250 PolarHBondContact N-O 2.94Å; I2198-L2250 PolarHBondContact O-N 2.72Å
2199P77.8Confident79.2Confident76 Ų7642.9 Ų42.949%0.49425%0.248SC..EExtended strand (participates in β ladder)trans-68.3149.7-179.828.8-34000111.5S2201P2199-S2201 PolarHBondContact O-N 3.3Å
2200Q78.8Confident78.9Confident49 Ų4937 Ų3723%0.22923%0.228CC..EExtended strand (participates in β ladder)trans55.150166.4-60.3173.6-23.200114.9M2237 F2247Q2200-M2237 VanDerWaalsContact NE2-CE 3.35Å; Q2200-F2247 HydrophobicContact CB-CB 4.34Å
2201S80.2Confident79Confident0 Ų041.3 Ų41.30%024%0.244CC..EExtended strand (participates in β ladder)trans-109.7-28.7-168.363.40000115.9P2199 D2248 L2250P2199-S2201 PolarHBondContact O-N 3.3Å; S2201-D2248 PolarHBondContact N-O 2.96Å; S2201-D2248 PolarHBondContact OG-O 2.92Å; S2201-L2250 WeakPolarHBondContact OG-CB 3.47Å
2202I85.9Confident79.2Confident1 Ų139.5 Ų39.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-132.1129.3-178.1-168.7171.4000111.6L2041 V2148 D2248 L2250 L2294 V2296L2041-I2202 HydrophobicContact CD1-CD1 4.01Å; L2041-I2202 HydrophobicContact CD2-CD1 3.76Å; V2148-I2202 HydrophobicContact CG1-CG1 4.43Å; I2202-D2248 HydrophobicContact CG2-CB 3.82Å; I2202-D2248 PolarHBondContact N-O 2.85Å; I2202-D2248 PolarHBondContact O-N 2.79Å; I2202-L2250 HydrophobicContact CG2-CD1 4.35Å; I2202-L2294 HydrophobicContact CD1-CD1 4.35Å; I2202-V2296 HydrophobicContact CD1-CG2 4.02Å; I2202-V2296 HydrophobicContact CG1-CG2 4.41Å
2203P86Confident79.9Confident0 Ų039 Ų390%023%0.232CC..  trans-79.5129.5178.428.3-31.7000112.2W2170 F2205 I2206 L2216 W2246 F2247W2170-P2203 HydrophobicContact CD2-CG 4.47Å; W2170-P2203 HydrophobicContact CH2-CG 3.73Å; W2170-P2203 HydrophobicContact CZ2-CG 3.54Å; W2170-P2203 HydrophobicContact CZ3-CG 4.24Å; P2203-F2205 VanDerWaalsContact C-N 3.3Å; P2203-F2205 PolarHBondContact O-N 3.05Å; P2203-I2206 HydrophobicContact CB-CG1 4.35Å; P2203-I2206 HydrophobicContact CG-CD1 3.9Å; P2203-I2206 HydrophobicContact CG-CG1 3.96Å; P2203-L2216 HydrophobicContact CB-CD2 3.68Å; P2203-L2216 HydrophobicContact CG-CD2 3.9Å; P2203-W2246 HydrophobicContact CB-CH2 4.08Å; P2203-W2246 HydrophobicContact CB-CZ3 4.39Å; P2203-F2247 HydrophobicContact CB-CD1 3.9Å; P2203-F2247 HydrophobicContact CB-CE1 3.74Å; P2203-F2247 HydrophobicContact CB-CE2 4.33Å; P2203-F2247 HydrophobicContact CB-CG 4.3Å; P2203-F2247 HydrophobicContact CB-CZ 3.97Å; P2203-F2247 HydrophobicContact CG-CE2 4.43Å; P2203-F2247 HydrophobicContact CG-CZ 4.33Å
2204A81.4Confident80.7Confident6 Ų636.1 Ų36.15%0.0520%0.199CC..SBendtrans-69.9-22.3177.200000114.2W2280 V2297A2204-W2280 HydrophobicContact CB-CE3 4.35Å; A2204-W2280 HydrophobicContact CB-CZ3 3.83Å; A2204-V2297 PolarHBondContact O-N 3.26Å
2205F88.4Confident81.3Confident4 Ų434.9 Ų34.92%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-129.7131-177.4-64-74.2000111L2077 P2203 P2217 I2220 I2224 W2246 W2280 V2297 F2299L2077-F2205 HydrophobicContact CD1-CE1 4.47Å; L2077-F2205 HydrophobicContact CD1-CZ 4.12Å; L2077-F2205 HydrophobicContact CD2-CE1 4.31Å; P2203-F2205 VanDerWaalsContact C-N 3.3Å; P2203-F2205 PolarHBondContact O-N 3.05Å; F2205-P2217 HydrophobicContact CB-CG 3.69Å; F2205-P2217 VanDerWaalsContact O-CD 3.29Å; F2205-P2217 WeakPolarHBondContact O-CD 3.36Å; F2205-I2220 HydrophobicContact CD2-CG2 4.06Å; F2205-I2220 HydrophobicContact CE2-CG2 4.27Å; F2205-I2220 HydrophobicContact CG-CG2 4.47Å; F2205-I2224 HydrophobicContact CD2-CD1 4.16Å; F2205-I2224 HydrophobicContact CE2-CD1 4.07Å; F2205-W2246 HydrophobicContact CB-CH2 4.15Å; F2205-W2246 HydrophobicContact CB-CZ3 3.87Å; F2205-W2246 HydrophobicContact CD2-CE3 4.44Å; F2205-W2246 AromaticContact CD2-CZ3 3.94Å; F2205-W2246 HydrophobicContact CD2-CZ3 3.94Å; F2205-W2246 HydrophobicContact CG-CZ3 4.41Å; F2205-W2246 WeakPolarHBondContact O-CH2 3.35Å; F2205-W2280 HydrophobicContact CD2-CZ3 4.42Å; F2205-W2280 HydrophobicContact CE2-CE3 4.16Å; F2205-W2280 AromaticContact CE2-CZ3 3.87Å; F2205-W2280 HydrophobicContact CE2-CZ3 3.87Å; F2205-V2297 CarbonylContact C-O 3.35Å; F2205-V2297 WeakPolarHBondContact CA-O 3.44Å; F2205-V2297 HydrophobicContact CD1-CB 3.77Å; F2205-V2297 HydrophobicContact CD1-CG1 4.07Å; F2205-V2297 HydrophobicContact CD1-CG2 4.26Å; F2205-V2297 HydrophobicContact CE1-CB 4.15Å; F2205-V2297 HydrophobicContact CE1-CG1 4.32Å; F2205-V2297 HydrophobicContact CE1-CG2 4.18Å; F2205-F2299 HydrophobicContact CB-CE2 4.22Å; F2205-F2299 AromaticContact CD1-CE2 3.94Å; F2205-F2299 HydrophobicContact CD1-CE2 3.94Å; F2205-F2299 HydrophobicContact CD1-CZ 4.24Å; F2205-F2299 HydrophobicContact CG-CE2 4.49Å
2206I89.9Confident81.7Confident0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-141.8143.6-173.7-56.5-178.4000109.6L2150 F2152 W2170 P2203 L2214 V2296 V2297 G2298 F2299L2150-I2206 HydrophobicContact CD2-CD1 3.17Å; F2152-I2206 HydrophobicContact CE2-CG2 4.5Å; W2170-I2206 HydrophobicContact CH2-CD1 3.93Å; P2203-I2206 HydrophobicContact CB-CG1 4.35Å; P2203-I2206 HydrophobicContact CG-CD1 3.9Å; P2203-I2206 HydrophobicContact CG-CG1 3.96Å; I2206-L2214 HydrophobicContact CG2-CB 3.93Å; I2206-L2214 HydrophobicContact CG2-CD1 4.44Å; I2206-L2214 HydrophobicContact CG2-CD2 4.34Å; I2206-L2214 HydrophobicContact CG2-CG 4.48Å; I2206-V2296 HydrophobicContact CD1-CG1 3.49Å; I2206-V2296 VanDerWaalsContact CD1-CG1 3.49Å; I2206-V2296 HydrophobicContact CG1-CG1 3.96Å; I2206-V2297 PolarHBondContact N-O 3.25Å; I2206-G2298 CarbonylContact O-C 3.57Å; I2206-G2298 VanDerWaalsContact O-CA 3.32Å; I2206-G2298 WeakPolarHBondContact O-CA 3.31Å; I2206-F2299 WeakPolarHBondContact O-CD2 3.46Å; I2206-F2299 PolarHBondContact O-N 3Å
2207Q88.9Confident82Confident34 Ų3434.2 Ų34.216%0.15919%0.191CC..EExtended strand (participates in β ladder)trans-105.3135.2169.7177.4-174.7300110.4Y2102 Y2106 P2209 T2215 F2299 D2301Y2102-Q2207 VanDerWaalsContact OH-CD 3.25Å; Y2102-Q2207 PolarHBondContact OH-OE1 3.24Å; Y2106-Q2207 VanDerWaalsContact OH-CD 3.3Å; Y2106-Q2207 PolarHBondContact OH-NE2 3.06Å; Q2207-P2209 WeakPolarHBondContact O-CD 3.32Å; Q2207-T2215 WeakPolarHBondContact CB-OG1 3.31Å; Q2207-T2215 PolarHBondContact N-O 3.27Å; Q2207-T2215 PolarHBondContact O-N 3Å; Q2207-T2215 PolarHBondContact OE1-OG1 2.71Å; Q2207-F2299 CarbonylContact C-O 3.58Å; Q2207-F2299 WeakPolarHBondContact CA-O 3.34Å; Q2207-F2299 HydrophobicContact CB-CB 4.42Å; Q2207-D2301 PolarHBondContact NE2-OD1 3.36Å
2208V86.5Confident81.9Confident2 Ų234.3 Ų34.31%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-106.393.7177.1-167.10000107.8F2152 R2154 H2166 L2214 F2299 I2300 D2301F2152-V2208 HydrophobicContact CB-CG1 4.44Å; F2152-V2208 HydrophobicContact CD1-CG2 4.07Å; F2152-V2208 HydrophobicContact CD2-CG2 4.19Å; F2152-V2208 HydrophobicContact CE1-CG2 4.07Å; F2152-V2208 HydrophobicContact CE2-CG2 4.17Å; F2152-V2208 HydrophobicContact CG-CG2 4.13Å; F2152-V2208 HydrophobicContact CZ-CG2 4.12Å; R2154-V2208 PolarHBondContact NH2-O 3.5Å; H2166-V2208 HydrophobicContact CB-CG1 4.18Å; V2208-L2214 HydrophobicContact CB-CD2 4.27Å; V2208-L2214 HydrophobicContact CG1-CD2 4.03Å; V2208-L2214 HydrophobicContact CG2-CD2 3.97Å; V2208-F2299 PolarHBondContact N-O 3.48Å; V2208-I2300 HydrophobicContact CG2-CG1 4.48Å; V2208-D2301 PolarHBondContact O-N 3.49Å
2209P81.3Confident82Confident15 Ų1534.4 Ų34.410%0.09720%0.197CC..  trans-69.4164.6-178.729.5-35.5000112.1R2154 H2166 Q2207 Q2211 E2213 D2301R2154-P2209 PolarHBondContact NH2-O 3Å; R2154-P2209 VanDerWaalsContact NH2-O 3.16Å; H2166-P2209 PolarHBondContact CE1-O 3.08Å; H2166-P2209 PolarHBondContact ND1-O 3.05Å; H2166-P2209 PolarHBondContact NE2-O 3.28Å; Q2207-P2209 WeakPolarHBondContact O-CD 3.32Å; P2209-Q2211 VanDerWaalsContact C-N 3.33Å; P2209-Q2211 PolarHBondContact O-N 3.5Å; P2209-E2213 WeakPolarHBondContact CD-O 3.48Å; P2209-E2213 WeakPolarHBondContact CG-O 3.23Å; P2209-D2301 WeakPolarHBondContact CA-OD2 3.24Å
2210N71.7Confident82.2Confident34 Ų3430.9 Ų30.918%0.18217%0.174CC..SBendtrans-63.8-35.4175.5-75.8-29.1000113.9D2301 R2302 A2303N2210-D2301 PolarHBondContact OD1-O 2.9Å; N2210-D2301 VanDerWaalsContact OD1-O 3.07Å; N2210-R2302 PolarHBondContact ND2-O 3.13Å; N2210-R2302 PolarHBondContact OD1-O 3.48Å; N2210-R2302 VanDerWaalsContact OD1-O 3.13Å; N2210-A2303 PolarHBondContact OD1-N 3.42Å
2211Q69.8Low82.2Confident106 Ų10628.6 Ų28.650%0.49516%0.164SC..SBendtrans-143.5128.9179.6-62.7-167.5-29.900108.1N2161 P2209N2161-Q2211 PolarHBondContact O-NE2 3.44Å; P2209-Q2211 VanDerWaalsContact C-N 3.33Å; P2209-Q2211 PolarHBondContact O-N 3.5Å
2212G73.9Confident82.2Confident45 Ų4532 Ų3246%0.46418%0.182SC..SBendtrans118.4-177.918000000114.3H2166H2166-G2212 PolarHBondContact ND1-O 3.3Å
2213E81.1Confident82Confident114 Ų11432 Ų3253%0.53318%0.182SC..SBendtrans-71.3163.8175.5-60.8177.2-172.200112K2168 P2209 T2215K2168-E2213 HydrophobicContact CD-CB 4.23Å; K2168-E2213 WeakPolarHBondContact CD-OE2 3.46Å; K2168-E2213 IonicContact NZ-OE2 2.74Å; K2168-E2213 PolarHBondContact NZ-OE2 3.01Å; P2209-E2213 WeakPolarHBondContact CD-O 3.48Å; P2209-E2213 WeakPolarHBondContact CG-O 3.23Å; E2213-T2215 PolarHBondContact O-N 2.93Å
2214L84.3Confident81.7Confident10 Ų1032.2 Ų32.25%0.05218%0.184CC..  trans-62.7135.1174.2-55.3168.5000110.8L2150 F2152 H2166 K2168 I2206 V2208L2150-L2214 HydrophobicContact CB-CD1 4.34Å; L2150-L2214 HydrophobicContact CD2-CD1 4.23Å; L2150-L2214 HydrophobicContact CG-CD1 4.25Å; L2150-L2214 WeakPolarHBondContact O-CD1 3.4Å; F2152-L2214 HydrophobicContact CD2-CD1 3.72Å; F2152-L2214 HydrophobicContact CD2-CD2 3.51Å; F2152-L2214 HydrophobicContact CD2-CG 4.26Å; F2152-L2214 HydrophobicContact CE2-CD1 4Å; F2152-L2214 HydrophobicContact CE2-CD2 4.01Å; F2152-L2214 HydrophobicContact CG-CD2 4.3Å; H2166-L2214 HydrophobicContact CB-CD2 3.7Å; H2166-L2214 HydrophobicContact CB-CG 4.26Å; K2168-L2214 HydrophobicContact CB-CB 3.92Å; K2168-L2214 HydrophobicContact CB-CD1 4.06Å; K2168-L2214 HydrophobicContact CB-CG 4.3Å; I2206-L2214 HydrophobicContact CG2-CB 3.93Å; I2206-L2214 HydrophobicContact CG2-CD1 4.44Å; I2206-L2214 HydrophobicContact CG2-CD2 4.34Å; I2206-L2214 HydrophobicContact CG2-CG 4.48Å; V2208-L2214 HydrophobicContact CB-CD2 4.27Å; V2208-L2214 HydrophobicContact CG1-CD2 4.03Å; V2208-L2214 HydrophobicContact CG2-CD2 3.97Å
2215T85.9Confident81.5Confident58 Ų5832.7 Ų32.736%0.35619%0.185SC..BIsolated β-bridgetrans-109.7158.4-179.851.50000111.5Q2207 E2213Q2207-T2215 WeakPolarHBondContact CB-OG1 3.31Å; Q2207-T2215 PolarHBondContact N-O 3.27Å; Q2207-T2215 PolarHBondContact O-N 3Å; Q2207-T2215 PolarHBondContact OE1-OG1 2.71Å; E2213-T2215 PolarHBondContact O-N 2.93Å
2216L83.9Confident81Confident56 Ų5635.3 Ų35.329%0.29320%0.199SC..  trans-99.9134.7177.1-65.3166000109.5P2203 T2218 W2246 F2247P2203-L2216 HydrophobicContact CB-CD2 3.68Å; P2203-L2216 HydrophobicContact CG-CD2 3.9Å; L2216-T2218 VanDerWaalsContact C-N 3.3Å; L2216-T2218 PolarHBondContact O-N 3.43Å; L2216-W2246 HydrophobicContact CB-CZ2 4.41Å; L2216-W2246 HydrophobicContact CD2-CH2 4.2Å; L2216-W2246 HydrophobicContact CD2-CZ2 4.12Å; L2216-F2247 HydrophobicContact CD1-CE1 4.2Å; L2216-F2247 HydrophobicContact CD1-CZ 3.82Å; L2216-F2247 HydrophobicContact CD2-CE1 4.22Å; L2216-F2247 HydrophobicContact CD2-CZ 4.13Å
2217P84.3Confident80.3Confident1 Ų135.8 Ų35.81%0.00620%0.202CC..  trans-74.382.4177.429.7-33.1000110.6Y2102 F2205 S2219 I2220 G2221 F2299Y2102-P2217 HydrophobicContact CD1-CB 4.47Å; Y2102-P2217 HydrophobicContact CE1-CB 3.65Å; F2205-P2217 HydrophobicContact CB-CG 3.69Å; F2205-P2217 VanDerWaalsContact O-CD 3.29Å; F2205-P2217 WeakPolarHBondContact O-CD 3.36Å; P2217-S2219 PolarHBondContact O-N 3.37Å; P2217-S2219 VanDerWaalsContact O-N 3.17Å; P2217-I2220 HydrophobicContact CB-CB 4.39Å; P2217-I2220 HydrophobicContact CB-CD1 4.21Å; P2217-I2220 PolarHBondContact O-N 3.2Å; P2217-I2220 VanDerWaalsContact O-N 3.14Å; P2217-G2221 PolarHBondContact O-N 3.5Å; P2217-F2299 HydrophobicContact CG-CD2 4.47Å; P2217-F2299 HydrophobicContact CG-CE2 4.29Å
2218T79.6Confident79.3Confident98 Ų9834.4 Ų34.460%0.60120%0.197SC*.Hα-helixtrans-61.5-25.1-17356.90000114.1L2216 N2222L2216-T2218 VanDerWaalsContact C-N 3.3Å; L2216-T2218 PolarHBondContact O-N 3.43Å; T2218-N2222 WeakPolarHBondContact O-CB 3.43Å; T2218-N2222 PolarHBondContact O-N 3.36Å; T2218-N2222 PolarHBondContact O-ND2 2.95Å
2219S81.8Confident78.4Confident14 Ų1441.6 Ų41.610%0.09824%0.235CC..Hα-helixtrans-58.7-59.3170.645.80000110.7S2099 Y2102 P2217 G2221 N2222 T2223S2099-S2219 PolarHBondContact OG-O 3.26Å; Y2102-S2219 WeakPolarHBondContact CB-OG 3.24Å; P2217-S2219 PolarHBondContact O-N 3.37Å; P2217-S2219 VanDerWaalsContact O-N 3.17Å; S2219-G2221 PolarHBondContact O-N 3.41Å; S2219-N2222 PolarHBondContact O-N 2.89Å; S2219-T2223 PolarHBondContact O-N 3.35Å; S2219-T2223 VanDerWaalsContact O-N 3.1Å; S2219-T2223 PolarHBondContact O-OG1 3.27Å
2220I82.6Confident77.7Confident1 Ų144.3 Ų44.31%0.00525%0.253CS..Hα-helixtrans-59.2-49.4179.8-66.9170.2000110.2L2081 S2099 Y2102 F2205 P2217 N2222 T2223 I2224 F2299L2081-I2220 HydrophobicContact CD1-CG1 4.32Å; S2099-I2220 PolarHBondContact OG-N 3.07Å; Y2102-I2220 HydrophobicContact CD1-CD1 3.86Å; Y2102-I2220 HydrophobicContact CD1-CG1 4.4Å; Y2102-I2220 HydrophobicContact CE1-CD1 4.18Å; F2205-I2220 HydrophobicContact CD2-CG2 4.06Å; F2205-I2220 HydrophobicContact CE2-CG2 4.27Å; F2205-I2220 HydrophobicContact CG-CG2 4.47Å; P2217-I2220 HydrophobicContact CB-CB 4.39Å; P2217-I2220 HydrophobicContact CB-CD1 4.21Å; P2217-I2220 PolarHBondContact O-N 3.2Å; P2217-I2220 VanDerWaalsContact O-N 3.14Å; I2220-N2222 PolarHBondContact O-N 2.88Å; I2220-T2223 WeakPolarHBondContact O-CB 3.45Å; I2220-T2223 PolarHBondContact O-N 3.14Å; I2220-T2223 VanDerWaalsContact O-N 3.12Å; I2220-I2224 HydrophobicContact CG2-CD1 3.78Å; I2220-I2224 HydrophobicContact CG2-CG1 4.42Å; I2220-I2224 WeakPolarHBondContact O-CG1 3.26Å; I2220-I2224 PolarHBondContact O-N 2.99Å; I2220-F2299 HydrophobicContact CD1-CE2 4.07Å; I2220-F2299 HydrophobicContact CD1-CZ 3.79Å
2221G79.2Confident77.4Confident2 Ų249.3 Ų49.32%0.02127%0.269CS..Hα-helixtrans-56.4-44.8177.200000113.3P2217 S2219 T2223 I2224 I2225P2217-G2221 PolarHBondContact O-N 3.5Å; S2219-G2221 PolarHBondContact O-N 3.41Å; G2221-T2223 VanDerWaalsContact C-N 3.33Å; G2221-T2223 PolarHBondContact O-N 3.37Å; G2221-I2224 PolarHBondContact O-N 2.99Å; G2221-I2225 WeakPolarHBondContact O-CD1 3.26Å; G2221-I2225 VanDerWaalsContact O-CG1 3.29Å; G2221-I2225 WeakPolarHBondContact O-CG1 3.47Å; G2221-I2225 PolarHBondContact O-N 3.19Å
2222N80.5Confident77.6Confident71 Ų7145.8 Ų45.838%0.3825%0.253SS..Hα-helixtrans-65.6-32.9177.6-78.2-41.2000113.1T2218 S2219 I2220 N2226T2218-N2222 WeakPolarHBondContact O-CB 3.43Å; T2218-N2222 PolarHBondContact O-N 3.36Å; T2218-N2222 PolarHBondContact O-ND2 2.95Å; S2219-N2222 PolarHBondContact O-N 2.89Å; I2220-N2222 PolarHBondContact O-N 2.88Å; N2222-N2226 WeakPolarHBondContact O-CB 3.43Å; N2222-N2226 PolarHBondContact O-N 3.29Å; N2222-N2226 PolarHBondContact O-ND2 3.22Å
2223T81.1Confident77.4Confident1 Ų150 Ų501%0.00627%0.265CS..Hα-helixtrans-68.1-43.7171.6-60.20000111.1L2081 S2084 R2095 S2099 S2219 I2220 G2221 D2227 G2228L2081-T2223 HydrophobicContact CD2-CG2 4.14Å; S2084-T2223 WeakPolarHBondContact OG-CG2 3.31Å; R2095-T2223 PolarHBondContact O-OG1 2.92Å; S2099-T2223 PolarHBondContact OG-OG1 3.46Å; S2219-T2223 PolarHBondContact O-N 3.35Å; S2219-T2223 VanDerWaalsContact O-N 3.1Å; S2219-T2223 PolarHBondContact O-OG1 3.27Å; I2220-T2223 WeakPolarHBondContact O-CB 3.45Å; I2220-T2223 PolarHBondContact O-N 3.14Å; I2220-T2223 VanDerWaalsContact O-N 3.12Å; G2221-T2223 VanDerWaalsContact C-N 3.33Å; G2221-T2223 PolarHBondContact O-N 3.37Å; T2223-D2227 HydrophobicContact CG2-CB 4.28Å; T2223-D2227 CarbonylContact O-C 3.57Å; T2223-D2227 WeakPolarHBondContact O-CA 3.46Å; T2223-D2227 WeakPolarHBondContact O-CB 3.4Å; T2223-D2227 PolarHBondContact O-N 3.09Å; T2223-G2228 PolarHBondContact O-N 2.66Å; T2223-G2228 VanDerWaalsContact O-N 3.09Å
2224I79.1Confident76.8Confident5 Ų546.1 Ų46.13%0.02625%0.25CC..Hα-helixtrans-59.2-50.2177.7-63.1161.5000110.9F2205 I2220 G2221 G2228 I2232 W2246 L2279 W2280F2205-I2224 HydrophobicContact CD2-CD1 4.16Å; F2205-I2224 HydrophobicContact CE2-CD1 4.07Å; I2220-I2224 HydrophobicContact CG2-CD1 3.78Å; I2220-I2224 HydrophobicContact CG2-CG1 4.42Å; I2220-I2224 WeakPolarHBondContact O-CG1 3.26Å; I2220-I2224 PolarHBondContact O-N 2.99Å; G2221-I2224 PolarHBondContact O-N 2.99Å; I2224-G2228 WeakPolarHBondContact O-CA 3.34Å; I2224-G2228 PolarHBondContact O-N 3.27Å; I2224-I2232 HydrophobicContact CG2-CD1 4.05Å; I2224-W2246 HydrophobicContact CB-CB 4.19Å; I2224-W2246 HydrophobicContact CD1-CD2 4.45Å; I2224-W2246 HydrophobicContact CD1-CE3 4.02Å; I2224-W2246 HydrophobicContact CG2-CB 3.7Å; I2224-L2279 HydrophobicContact CG1-CD2 3.9Å; I2224-L2279 HydrophobicContact CG1-CG 4.45Å; I2224-L2279 HydrophobicContact CG2-CD2 4.41Å; I2224-W2280 HydrophobicContact CD1-CH2 4.23Å; I2224-W2280 HydrophobicContact CD1-CZ3 4.43Å; I2224-W2280 HydrophobicContact CG2-CH2 4.19Å; I2224-W2280 HydrophobicContact CG2-CZ2 4.22Å
2225I78.3Confident75.9Confident15 Ų1551.8 Ų51.88%0.07728%0.284CS..Hα-helixtrans-61.4-52-177.3-63.5160000111.7G2221 T2234 E2242 A2245 W2246G2221-I2225 WeakPolarHBondContact O-CD1 3.26Å; G2221-I2225 VanDerWaalsContact O-CG1 3.29Å; G2221-I2225 WeakPolarHBondContact O-CG1 3.47Å; G2221-I2225 PolarHBondContact O-N 3.19Å; I2225-T2234 HydrophobicContact CG2-CG2 3.67Å; I2225-E2242 VanDerWaalsContact CD1-O 3.29Å; I2225-E2242 WeakPolarHBondContact CD1-O 3.39Å; I2225-A2245 HydrophobicContact CG1-CB 4.36Å; I2225-W2246 HydrophobicContact CG1-CB 4.35Å
2226N77.6Confident75Confident59 Ų5953 Ų5332%0.31631%0.309SS..Hα-helixtrans-92-34.2-166.9-65-83.9000114R2095 N2222 R2231R2095-N2226 VanDerWaalsContact CZ-CB 3.42Å; N2222-N2226 WeakPolarHBondContact O-CB 3.43Å; N2222-N2226 PolarHBondContact O-N 3.29Å; N2222-N2226 PolarHBondContact O-ND2 3.22Å; N2226-R2231 WeakPolarHBondContact O-CD 3.34Å; N2226-R2231 PolarHBondContact O-NE 2.94Å
2227D75Confident74.3Confident10 Ų1053.3 Ų53.35%0.05331%0.31CS..Hα-helixtrans-119.80.3-169.6-52.8-49.2000112.8S2084 S2092 R2095 T2223S2084-D2227 WeakPolarHBondContact O-CB 3.48Å; S2092-D2227 WeakPolarHBondContact CA-OD2 3.32Å; S2092-D2227 VanDerWaalsContact CB-CG 3.43Å; S2092-D2227 WeakPolarHBondContact CB-OD1 3.38Å; R2095-D2227 WeakPolarHBondContact CB-OD2 3.43Å; R2095-D2227 IonicContact CZ-OD1 2.71Å; R2095-D2227 IonicContact CZ-OD2 3.44Å; R2095-D2227 IonicContact NE-OD1 3.49Å; R2095-D2227 IonicContact NE-OD2 2.72Å; R2095-D2227 PolarHBondContact NE-OD2 3.46Å; R2095-D2227 IonicContact NH2-OD1 2.63Å; R2095-D2227 PolarHBondContact NH2-OD1 2.93Å; R2095-D2227 IonicContact NH2-OD2 3.84Å; R2095-D2227 PolarHBondContact NH2-OD2 3.02Å; T2223-D2227 HydrophobicContact CG2-CB 4.28Å; T2223-D2227 CarbonylContact O-C 3.57Å; T2223-D2227 WeakPolarHBondContact O-CA 3.46Å; T2223-D2227 WeakPolarHBondContact O-CB 3.4Å; T2223-D2227 PolarHBondContact O-N 3.09Å
2228G67.3Low73.6Confident6 Ų659.9 Ų59.96%0.06234%0.34CS..  trans-62.1159.3169.700000112.7T2223 I2224 P2230 R2231T2223-G2228 PolarHBondContact O-N 2.66Å; T2223-G2228 VanDerWaalsContact O-N 3.09Å; I2224-G2228 WeakPolarHBondContact O-CA 3.34Å; I2224-G2228 PolarHBondContact O-N 3.27Å; G2228-P2230 CarbonylContact C-O 3.59Å; G2228-P2230 CarbonylContact O-C 3.59Å; G2228-R2231 WeakPolarHBondContact O-CA 3.29Å; G2228-R2231 WeakPolarHBondContact O-CG 3.27Å; G2228-R2231 PolarHBondContact O-N 3.38Å
2229N67.4Low72.9Confident153 Ų15363.8 Ų63.882%0.81835%0.349SS*.SBendtrans-138.4101.7-176.3-151.414.3000108.9
2230P66.4Low72.2Confident72 Ų7265.7 Ų65.747%0.46836%0.363SS..SBendcis-67151.14.929.7-36.3000113.9G2228G2228-P2230 CarbonylContact C-O 3.59Å; G2228-P2230 CarbonylContact O-C 3.59Å
2231R67.2Low71.6Confident139 Ų13967.7 Ų67.753%0.52537%0.373SS..PPolyproline II helixtrans-71.2144171.2-71.8-176.8176.4179.4-4110.3T2086 N2226 G2228T2086-R2231 PolarHBondContact OG1-NH2 3.06Å; N2226-R2231 WeakPolarHBondContact O-CD 3.34Å; N2226-R2231 PolarHBondContact O-NE 2.94Å; G2228-R2231 WeakPolarHBondContact O-CA 3.29Å; G2228-R2231 WeakPolarHBondContact O-CG 3.27Å; G2228-R2231 PolarHBondContact O-N 3.38Å
2232I72.3Confident71.3Confident32 Ų3271.3 Ų71.316%0.16439%0.389CS..PPolyproline II helixtrans-85121.7179.5-53.5-178.8000108.8I2224 T2234 A2245 W2246 P2272I2224-I2232 HydrophobicContact CG2-CD1 4.05Å; I2232-T2234 PolarHBondContact O-N 3.36Å; I2232-A2245 WeakPolarHBondContact CD1-O 3.31Å; I2232-A2245 HydrophobicContact CG2-CB 4.09Å; I2232-W2246 HydrophobicContact CD1-CB 4.28Å; I2232-P2272 HydrophobicContact CD1-CB 4.28Å; I2232-P2272 HydrophobicContact CD1-CG 4.24Å
2233N70.1Confident70.8Confident132 Ų13270.5 Ų70.571%0.70639%0.393SS*.  trans-73.596.6178.6-80.2-14.6000110.7T2235N2233-T2235 VanDerWaalsContact C-N 3.28Å
2234T69.1Low70.5Confident34 Ų3473 Ų7321%0.20940%0.402CS..  trans-83.82174.357.70000113.9I2225 I2232 G2236 M2237 A2245I2225-T2234 HydrophobicContact CG2-CG2 3.67Å; I2232-T2234 PolarHBondContact O-N 3.36Å; T2234-G2236 PolarHBondContact O-N 2.81Å; T2234-M2237 HydrophobicContact CG2-SD 4.38Å; T2234-M2237 PolarHBondContact O-N 3.13Å; T2234-M2237 VanDerWaalsContact O-N 3.08Å; T2234-A2245 HydrophobicContact CG2-CB 4.01Å
2235T65.8Low70.4Confident128 Ų12872.9 Ų72.979%0.78540%0.401SS*.THydrogen-bonded Turntrans-6499.9-176.651.90000111.8N2233N2233-T2235 VanDerWaalsContact C-N 3.28Å
2236G66Low70.6Confident85 Ų8572.5 Ų72.588%0.87640%0.399SS*.THydrogen-bonded Turntrans111.11.6-179.400000115.3T2234T2234-G2236 PolarHBondContact O-N 2.81Å
2237M70.1Confident71Confident61 Ų6169.9 Ų69.930%0.339%0.385SS..  trans-82.2147.6173.1-69.1178.8-176.100111.6Q2200 T2234 D2241 E2242 A2245Q2200-M2237 VanDerWaalsContact NE2-CE 3.35Å; T2234-M2237 HydrophobicContact CG2-SD 4.38Å; T2234-M2237 PolarHBondContact O-N 3.13Å; T2234-M2237 VanDerWaalsContact O-N 3.08Å; M2237-D2241 HydrophobicContact CB-CB 4.13Å; M2237-D2241 HydrophobicContact CG-CB 4.48Å; M2237-E2242 HydrophobicContact CB-CG 4.1Å; M2237-A2245 HydrophobicContact SD-CB 4.03Å
2238E68.7Low71.3Confident140 Ų14069.4 Ų69.465%0.65438%0.382SS*.  trans-72.2159.8166-67.7-160.2141.400110.7S2240 D2241 E2242E2238-S2240 PolarHBondContact O-N 3.42Å; E2238-S2240 VanDerWaalsContact O-N 3.1Å; E2238-D2241 CarbonylContact O-C 3.56Å; E2238-D2241 WeakPolarHBondContact O-CA 3.47Å; E2238-D2241 PolarHBondContact O-N 2.91Å; E2238-E2242 PolarHBondContact O-N 3.24Å
2239K66.2Low72.2Confident179 Ų17970.3 Ų70.378%0.77839%0.387SS*.Hα-helixtrans-57.6-28.1-179.3-71.5-179177.2176.10114.1D2241K2239-D2241 VanDerWaalsContact C-N 3.29Å
2240S65.9Low73Confident55 Ų5563 Ų6339%0.38535%0.348SS..Hα-helixtrans-64.9-34171.537.80000112.5E2238 R2244E2238-S2240 PolarHBondContact O-N 3.42Å; E2238-S2240 VanDerWaalsContact O-N 3.1Å; S2240-R2244 VanDerWaalsContact O-CD 3.32Å; S2240-R2244 WeakPolarHBondContact O-CD 3.5Å; S2240-R2244 WeakPolarHBondContact O-CG 3.32Å
2241D69.8Low74Confident42 Ų4260.9 Ų60.923%0.22533%0.334CS..Hα-helixtrans-95-29.8-173.4-53.6-32.3000111.4M2237 E2238 K2239 A2243 R2244 A2245M2237-D2241 HydrophobicContact CB-CB 4.13Å; M2237-D2241 HydrophobicContact CG-CB 4.48Å; E2238-D2241 CarbonylContact O-C 3.56Å; E2238-D2241 WeakPolarHBondContact O-CA 3.47Å; E2238-D2241 PolarHBondContact O-N 2.91Å; K2239-D2241 VanDerWaalsContact C-N 3.29Å; D2241-A2243 PolarHBondContact O-N 3.33Å; D2241-R2244 CarbonylContact O-C 3.25Å; D2241-R2244 WeakPolarHBondContact O-CA 3.44Å; D2241-R2244 PolarHBondContact O-N 2.97Å; D2241-R2244 IonicContact OD1-CZ 2.8Å; D2241-R2244 IonicContact OD1-NH1 2.92Å; D2241-R2244 PolarHBondContact OD1-NH1 2.99Å; D2241-A2245 PolarHBondContact O-N 3.01Å
2242E72.8Confident74.8Confident78 Ų7854.2 Ų54.236%0.36431%0.309SS..Hα-helixtrans-52.6-43.9164.6-68.1-172.113400111.3I2225 M2237 E2238 R2244 A2245I2225-E2242 VanDerWaalsContact CD1-O 3.29Å; I2225-E2242 WeakPolarHBondContact CD1-O 3.39Å; M2237-E2242 HydrophobicContact CB-CG 4.1Å; E2238-E2242 PolarHBondContact O-N 3.24Å; E2242-R2244 PolarHBondContact O-N 3.41Å; E2242-A2245 VanDerWaalsContact O-CB 3.29Å; E2242-A2245 WeakPolarHBondContact O-CB 3.29Å; E2242-A2245 PolarHBondContact O-N 3.29Å
2243A70.6Confident75.4Confident54 Ų5455.7 Ų55.745%0.44632%0.317SS..THydrogen-bonded Turntrans-68.4-20.8177.500000113.8D2241 W2246D2241-A2243 PolarHBondContact O-N 3.33Å; A2243-W2246 PolarHBondContact O-NE1 3.32Å
2244R74.9Confident76Confident55 Ų5551 Ų5121%0.20829%0.292CS..THydrogen-bonded Turntrans-97-3.7176.6-63.5163.9173.5167.7-14.9112.9L2171 S2240 D2241 E2242 W2246 F2247L2171-R2244 PolarHBondContact O-NH2 3.42Å; S2240-R2244 VanDerWaalsContact O-CD 3.32Å; S2240-R2244 WeakPolarHBondContact O-CD 3.5Å; S2240-R2244 WeakPolarHBondContact O-CG 3.32Å; D2241-R2244 CarbonylContact O-C 3.25Å; D2241-R2244 WeakPolarHBondContact O-CA 3.44Å; D2241-R2244 PolarHBondContact O-N 2.97Å; D2241-R2244 IonicContact OD1-CZ 2.8Å; D2241-R2244 IonicContact OD1-NH1 2.92Å; D2241-R2244 PolarHBondContact OD1-NH1 2.99Å; E2242-R2244 PolarHBondContact O-N 3.41Å; R2244-W2246 PolarHBondContact O-N 3.15Å; R2244-F2247 HydrophobicContact CB-CD2 4.11Å; R2244-F2247 HydrophobicContact CB-CE2 4.26Å; R2244-F2247 HydrophobicContact CB-CG 4.25Å; R2244-F2247 HydrophobicContact CG-CD2 4.18Å; R2244-F2247 HydrophobicContact CG-CE2 3.88Å; R2244-F2247 HydrophobicContact CG-CZ 4.14Å; R2244-F2247 VanDerWaalsContact O-CB 3.25Å; R2244-F2247 WeakPolarHBondContact O-CB 3.42Å; R2244-F2247 WeakPolarHBondContact O-CG 3.42Å; R2244-F2247 PolarHBondContact O-N 3.4Å
2245A76.3Confident76.5Confident1 Ų153.2 Ų53.21%0.00830%0.3CS..THydrogen-bonded Turntrans-62.8-20.3-168.500000114.6I2225 I2232 T2234 M2237 D2241 E2242I2225-A2245 HydrophobicContact CG1-CB 4.36Å; I2232-A2245 WeakPolarHBondContact CD1-O 3.31Å; I2232-A2245 HydrophobicContact CG2-CB 4.09Å; T2234-A2245 HydrophobicContact CG2-CB 4.01Å; M2237-A2245 HydrophobicContact SD-CB 4.03Å; D2241-A2245 PolarHBondContact O-N 3.01Å; E2242-A2245 VanDerWaalsContact O-CB 3.29Å; E2242-A2245 WeakPolarHBondContact O-CB 3.29Å; E2242-A2245 PolarHBondContact O-N 3.29Å
2246W83Confident76.8Confident7 Ų752.2 Ų52.23%0.02729%0.286CS..THydrogen-bonded Turntrans-98.77176.964.2-76.8000113.8P2203 F2205 L2216 I2224 I2225 I2232 A2243 R2244P2203-W2246 HydrophobicContact CB-CH2 4.08Å; P2203-W2246 HydrophobicContact CB-CZ3 4.39Å; F2205-W2246 HydrophobicContact CB-CH2 4.15Å; F2205-W2246 HydrophobicContact CB-CZ3 3.87Å; F2205-W2246 HydrophobicContact CD2-CE3 4.44Å; F2205-W2246 AromaticContact CD2-CZ3 3.94Å; F2205-W2246 HydrophobicContact CD2-CZ3 3.94Å; F2205-W2246 HydrophobicContact CG-CZ3 4.41Å; F2205-W2246 WeakPolarHBondContact O-CH2 3.35Å; L2216-W2246 HydrophobicContact CB-CZ2 4.41Å; L2216-W2246 HydrophobicContact CD2-CH2 4.2Å; L2216-W2246 HydrophobicContact CD2-CZ2 4.12Å; I2224-W2246 HydrophobicContact CB-CB 4.19Å; I2224-W2246 HydrophobicContact CD1-CD2 4.45Å; I2224-W2246 HydrophobicContact CD1-CE3 4.02Å; I2224-W2246 HydrophobicContact CG2-CB 3.7Å; I2225-W2246 HydrophobicContact CG1-CB 4.35Å; I2232-W2246 HydrophobicContact CD1-CB 4.28Å; A2243-W2246 PolarHBondContact O-NE1 3.32Å; R2244-W2246 PolarHBondContact O-N 3.15Å
2247F86Confident77Confident4 Ų450 Ų502%0.01826%0.263CS..SBendtrans-77.7150.9175.1-71.117.1000110.4W2170 Q2200 P2203 L2216 R2244W2170-F2247 HydrophobicContact CG-CE2 4.45Å; Q2200-F2247 HydrophobicContact CB-CB 4.34Å; P2203-F2247 HydrophobicContact CB-CD1 3.9Å; P2203-F2247 HydrophobicContact CB-CE1 3.74Å; P2203-F2247 HydrophobicContact CB-CE2 4.33Å; P2203-F2247 HydrophobicContact CB-CG 4.3Å; P2203-F2247 HydrophobicContact CB-CZ 3.97Å; P2203-F2247 HydrophobicContact CG-CE2 4.43Å; P2203-F2247 HydrophobicContact CG-CZ 4.33Å; L2216-F2247 HydrophobicContact CD1-CE1 4.2Å; L2216-F2247 HydrophobicContact CD1-CZ 3.82Å; L2216-F2247 HydrophobicContact CD2-CE1 4.22Å; L2216-F2247 HydrophobicContact CD2-CZ 4.13Å; R2244-F2247 HydrophobicContact CB-CD2 4.11Å; R2244-F2247 HydrophobicContact CB-CE2 4.26Å; R2244-F2247 HydrophobicContact CB-CG 4.25Å; R2244-F2247 HydrophobicContact CG-CD2 4.18Å; R2244-F2247 HydrophobicContact CG-CE2 3.88Å; R2244-F2247 HydrophobicContact CG-CZ 4.14Å; R2244-F2247 VanDerWaalsContact O-CB 3.25Å; R2244-F2247 WeakPolarHBondContact O-CB 3.42Å; R2244-F2247 WeakPolarHBondContact O-CG 3.42Å; R2244-F2247 PolarHBondContact O-N 3.4Å
2248D82.4Confident77.1Confident1 Ų157.3 Ų57.31%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-72.2144.7179.5-61.7-9.5000111.1S2201 I2202 H2271S2201-D2248 PolarHBondContact N-O 2.96Å; S2201-D2248 PolarHBondContact OG-O 2.92Å; I2202-D2248 HydrophobicContact CG2-CB 3.82Å; I2202-D2248 PolarHBondContact N-O 2.85Å; I2202-D2248 PolarHBondContact O-N 2.79Å; D2248-H2271 IonicContact OD1-CE1 3.28Å; D2248-H2271 IonicContact OD1-CG 2.72Å; D2248-H2271 IonicContact OD1-ND1 2.82Å; D2248-H2271 PolarHBondContact OD1-ND1 3.46Å; D2248-H2271 IonicContact OD2-CE1 2.8Å; D2248-H2271 PolarHBondContact OD2-CE1 3.08Å; D2248-H2271 VanDerWaalsContact OD2-CE1 3.25Å; D2248-H2271 IonicContact OD2-ND1 2.77Å; D2248-H2271 PolarHBondContact OD2-ND1 3.29Å
2249S84.6Confident76.9Confident24 Ų2453 Ų5317%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-78.9137.2165.463.70000109.4I2198 S2269 E2270I2198-S2249 WeakPolarHBondContact O-CA 3.34Å; S2249-S2269 CarbonylContact O-C 3.57Å; S2249-S2269 WeakPolarHBondContact O-CA 3.4Å; S2249-E2270 PolarHBondContact N-O 2.94Å; S2249-E2270 PolarHBondContact O-N 3.39Å; S2249-E2270 PolarHBondContact OG-O 3.46Å; S2249-E2270 VanDerWaalsContact OG-O 3.04Å
2250L86Confident76.9Confident0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-114.1132.9-176-170.9136.4000109.7I2043 F2146 I2198 S2201 I2202 L2252 L2294I2043-L2250 HydrophobicContact CD1-CD1 3.56Å; I2043-L2250 HydrophobicContact CD1-CD2 4.05Å; I2043-L2250 HydrophobicContact CD1-CG 4.46Å; F2146-L2250 HydrophobicContact CZ-CD2 4.47Å; I2198-L2250 PolarHBondContact N-O 2.94Å; I2198-L2250 PolarHBondContact O-N 2.72Å; S2201-L2250 WeakPolarHBondContact OG-CB 3.47Å; I2202-L2250 HydrophobicContact CG2-CD1 4.35Å; L2250-L2252 HydrophobicContact CD2-CD1 4.28Å; L2250-L2252 HydrophobicContact CD2-CD2 3.78Å; L2250-L2252 HydrophobicContact CD2-CG 3.63Å; L2250-L2294 HydrophobicContact CD1-CD2 4.31Å
2251T86.3Confident76.9Confident27 Ų2756.2 Ų56.217%0.16630%0.295CS..EExtended strand (participates in β ladder)trans-114.3121-179.245.50000109.1I2196 L2197 A2267 T2268I2196-T2251 CarbonylContact O-C 3.42Å; I2196-T2251 WeakPolarHBondContact O-CA 3.32Å; L2197-T2251 HydrophobicContact CB-CG2 4.4Å; L2197-T2251 HydrophobicContact CD1-CG2 3.47Å; L2197-T2251 VanDerWaalsContact CD1-CG2 3.47Å; T2251-A2267 WeakPolarHBondContact O-CA 3.39Å; T2251-T2268 PolarHBondContact N-O 3.22Å; T2251-T2268 PolarHBondContact O-N 3.34Å; T2251-T2268 PolarHBondContact OG1-O 3Å; T2251-T2268 PolarHBondContact OG1-OG1 3.27Å
2252L83.9Confident76.9Confident0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-107.7125.3175-66.1172.6000110.7I2043 L2051 F2146 I2196 L2250 W2265 I2266 A2267I2043-L2252 HydrophobicContact CG2-CD1 4.33Å; L2051-L2252 HydrophobicContact CB-CD1 4.45Å; L2051-L2252 HydrophobicContact CD1-CD1 3.75Å; F2146-L2252 HydrophobicContact CE2-CD1 4.04Å; F2146-L2252 HydrophobicContact CZ-CD1 3.86Å; I2196-L2252 HydrophobicContact CB-CB 4.18Å; I2196-L2252 PolarHBondContact N-O 2.99Å; I2196-L2252 PolarHBondContact O-N 3.01Å; L2250-L2252 HydrophobicContact CD2-CD1 4.28Å; L2250-L2252 HydrophobicContact CD2-CD2 3.78Å; L2250-L2252 HydrophobicContact CD2-CG 3.63Å; L2252-W2265 HydrophobicContact CB-CE3 3.85Å; L2252-W2265 HydrophobicContact CB-CZ3 4.15Å; L2252-I2266 VanDerWaalsContact CA-O 3.31Å; L2252-I2266 WeakPolarHBondContact CA-O 3.45Å; L2252-A2267 HydrophobicContact CD2-CB 3.74Å
2253N85.5Confident77.1Confident63 Ų6354.9 Ų54.934%0.33729%0.287SS..EExtended strand (participates in β ladder)trans-111.8139.3170.6-78-36.9000110.2P2195 W2265 I2266P2195-N2253 WeakPolarHBondContact CA-OD1 3.22Å; P2195-N2253 VanDerWaalsContact CB-OD1 3.31Å; P2195-N2253 WeakPolarHBondContact CB-OD1 3.5Å; N2253-W2265 CarbonylContact O-C 3.57Å; N2253-W2265 WeakPolarHBondContact O-CA 3.34Å; N2253-I2266 HydrophobicContact CB-CB 4.38Å; N2253-I2266 PolarHBondContact N-O 3.47Å; N2253-I2266 PolarHBondContact O-N 3.02Å
2254L83.1Confident77.7Confident33 Ų3354 Ų5417%0.17327%0.274CS..EExtended strand (participates in β ladder)trans-98.5112.8174.6-178.667.5000109.8A2187 K2263 W2265A2187-L2254 WeakPolarHBondContact O-CD2 3.41Å; L2254-K2263 HydrophobicContact CD1-CB 4.06Å; L2254-K2263 HydrophobicContact CD1-CG 4.44Å; L2254-W2265 HydrophobicContact CB-CD2 4.4Å; L2254-W2265 HydrophobicContact CB-CE3 3.96Å; L2254-W2265 HydrophobicContact CB-CH2 4.02Å; L2254-W2265 HydrophobicContact CB-CZ2 4.43Å; L2254-W2265 HydrophobicContact CB-CZ3 3.77Å; L2254-W2265 HydrophobicContact CD1-CD2 3.99Å; L2254-W2265 HydrophobicContact CD1-CE3 4.41Å; L2254-W2265 HydrophobicContact CD1-CG 4.41Å; L2254-W2265 HydrophobicContact CD1-CH2 4.48Å; L2254-W2265 HydrophobicContact CD1-CZ2 4.04Å
2255E78.2Confident78.3Confident81 Ų8151.4 Ų51.438%0.37926%0.264SS..EExtended strand (participates in β ladder)trans-98.1137.4167.2-83.5-179.8-174.700110.1M2264 I2266 R2291E2255-M2264 HydrophobicContact CB-CG 3.91Å; E2255-M2264 PolarHBondContact N-O 3.31Å; E2255-M2264 PolarHBondContact O-N 3.15Å; E2255-I2266 HydrophobicContact CB-CD1 4.08Å; E2255-I2266 HydrophobicContact CG-CD1 3.67Å; E2255-I2266 VanDerWaalsContact OE2-CD1 3.29Å; E2255-I2266 WeakPolarHBondContact OE2-CD1 3.44Å; E2255-R2291 IonicContact OE1-CZ 3.66Å; E2255-R2291 IonicContact OE1-NH2 3.77Å; E2255-R2291 PolarHBondContact OE1-NH2 3.02Å; E2255-R2291 IonicContact OE2-CZ 3.6Å; E2255-R2291 IonicContact OE2-NH1 2.78Å; E2255-R2291 IonicContact OE2-NH2 3.52Å; E2255-R2291 PolarHBondContact OE2-NH2 3.5Å
2256Q73.5Confident78.7Confident106 Ų10651.7 Ų51.750%0.49527%0.265SS..EExtended strand (participates in β ladder)trans-101.1129.3174-66.9-178.726.600109G2190 K2263G2190-Q2256 PolarHBondContact O-NE2 3.2Å; Q2256-K2263 HydrophobicContact CG-CG 4.43Å
2257G69.6Low78.9Confident38 Ų3851.3 Ų51.339%0.39226%0.264SS..  trans-74.7-162.5174.600000112.8S2259 E2262G2257-S2259 VanDerWaalsContact C-N 3.34Å; G2257-E2262 PolarHBondContact N-O 3.05Å
2258K71.8Confident78.9Confident216 Ų21652.7 Ų52.794%0.93927%0.273SS*.SBendtrans-76.2-26.4-179.1-68.1179.2-178.9174.30111.8E2262K2258-E2262 PolarHBondContact N-OE2 3.42Å
2259S65.2Low78.9Confident49 Ų4954.1 Ų54.134%0.34328%0.283SS..SBendtrans-96.4144.4173.6-174.70000111.7G2257 N2261 E2262G2257-S2259 VanDerWaalsContact C-N 3.34Å; S2259-N2261 PolarHBondContact O-N 3.17Å; S2259-E2262 VanDerWaalsContact CB-OE1 3.24Å; S2259-E2262 WeakPolarHBondContact CB-OE1 3.48Å; S2259-E2262 PolarHBondContact N-OE2 3Å; S2259-E2262 PolarHBondContact O-N 2.84Å
2260Q64.9Low78.7Confident164 Ų16457.2 Ų57.277%0.76630%0.295SS*.THydrogen-bonded Turntrans-59.5-16.5174.4-69.5-172.9-8.700113.9K2263Q2260-K2263 VanDerWaalsContact O-CE 3.3Å; Q2260-K2263 WeakPolarHBondContact O-CE 3.17Å; Q2260-K2263 PolarHBondContact O-NZ 3.36Å
2261N65.5Low78.4Confident137 Ų13758.6 Ų58.673%0.73330%0.301SS*.THydrogen-bonded Turntrans-94-15177.6-64.6-14.2000113.2S2259 K2263S2259-N2261 PolarHBondContact O-N 3.17Å; N2261-K2263 PolarHBondContact O-N 3.4Å
2262E71.6Confident77.8Confident66 Ų6658.9 Ų58.931%0.30830%0.304SS..  trans-82.692.4176.7-73.1156.6-157.900109.1Y2123 G2257 K2258 S2259Y2123-E2262 HydrophobicContact CE1-CB 4.35Å; G2257-E2262 PolarHBondContact N-O 3.05Å; K2258-E2262 PolarHBondContact N-OE2 3.42Å; S2259-E2262 VanDerWaalsContact CB-OE1 3.24Å; S2259-E2262 WeakPolarHBondContact CB-OE1 3.48Å; S2259-E2262 PolarHBondContact N-OE2 3Å; S2259-E2262 PolarHBondContact O-N 2.84Å
2263K77.2Confident77.1Confident26 Ų2661.3 Ų61.311%0.11333%0.328CS..EExtended strand (participates in β ladder)trans-118.4117.3176.2-77.2170.6-167.5129.80108.8W2124 L2254 Q2256 Q2260 N2261W2124-K2263 HydrophobicContact CE3-CB 4.46Å; W2124-K2263 PolarHBondContact N-O 3.44Å; L2254-K2263 HydrophobicContact CD1-CB 4.06Å; L2254-K2263 HydrophobicContact CD1-CG 4.44Å; Q2256-K2263 HydrophobicContact CG-CG 4.43Å; Q2260-K2263 VanDerWaalsContact O-CE 3.3Å; Q2260-K2263 WeakPolarHBondContact O-CE 3.17Å; Q2260-K2263 PolarHBondContact O-NZ 3.36Å; N2261-K2263 PolarHBondContact O-N 3.4Å
2264M82.8Confident76.2Confident35 Ų3562.1 Ų62.117%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-118.3136.3178.960.5-176.7-72.900110.4E2119 Y2123 E2255 I2266E2119-M2264 HydrophobicContact CB-CE 3.81Å; E2119-M2264 HydrophobicContact CG-CE 3.64Å; Y2123-M2264 HydrophobicContact CD1-CB 4.16Å; Y2123-M2264 HydrophobicContact CE1-CB 4.35Å; E2255-M2264 HydrophobicContact CB-CG 3.91Å; E2255-M2264 PolarHBondContact N-O 3.31Å; E2255-M2264 PolarHBondContact O-N 3.15Å; M2264-I2266 HydrophobicContact CE-CG1 4.28Å
2265W86Confident75.1Confident1 Ų166.5 Ų66.50%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-95.4137.5171.2-66.893.6000110.1L2051 S2120 W2124 L2188 I2196 L2252 N2253 L2254L2051-W2265 HydrophobicContact CB-CD2 4.44Å; L2051-W2265 HydrophobicContact CB-CG 4.15Å; L2051-W2265 HydrophobicContact CD2-CZ2 3.86Å; L2051-W2265 WeakPolarHBondContact O-CB 3.25Å; S2120-W2265 PolarHBondContact N-O 3.31Å; S2120-W2265 VanDerWaalsContact N-O 3.08Å; W2124-W2265 AromaticContact CD2-NE1 3.3Å; W2124-W2265 VanDerWaalsContact CD2-NE1 3.3Å; W2124-W2265 AromaticContact CE2-NE1 3.81Å; W2124-W2265 HydrophobicContact CE3-CZ2 4.33Å; W2124-W2265 AromaticContact CE3-NE1 3.45Å; W2124-W2265 AromaticContact CG-CD1 3.86Å; W2124-W2265 AromaticContact CG-NE1 3.52Å; W2124-W2265 HydrophobicContact CH2-CZ2 4.27Å; W2124-W2265 HydrophobicContact CZ3-CZ2 4.1Å; L2188-W2265 HydrophobicContact CD2-CH2 4.33Å; L2188-W2265 HydrophobicContact CD2-CZ2 4.04Å; I2196-W2265 HydrophobicContact CD1-CH2 3.64Å; I2196-W2265 HydrophobicContact CD1-CZ3 3.65Å; I2196-W2265 HydrophobicContact CG1-CZ3 4.46Å; L2252-W2265 HydrophobicContact CB-CE3 3.85Å; L2252-W2265 HydrophobicContact CB-CZ3 4.15Å; N2253-W2265 CarbonylContact O-C 3.57Å; N2253-W2265 WeakPolarHBondContact O-CA 3.34Å; L2254-W2265 HydrophobicContact CB-CD2 4.4Å; L2254-W2265 HydrophobicContact CB-CE3 3.96Å; L2254-W2265 HydrophobicContact CB-CH2 4.02Å; L2254-W2265 HydrophobicContact CB-CZ2 4.43Å; L2254-W2265 HydrophobicContact CB-CZ3 3.77Å; L2254-W2265 HydrophobicContact CD1-CD2 3.99Å; L2254-W2265 HydrophobicContact CD1-CE3 4.41Å; L2254-W2265 HydrophobicContact CD1-CG 4.41Å; L2254-W2265 HydrophobicContact CD1-CH2 4.48Å; L2254-W2265 HydrophobicContact CD1-CZ2 4.04Å
2266I86.8Confident74.2Confident7 Ų769.3 Ų69.34%0.03637%0.37CS..EExtended strand (participates in β ladder)trans-109.5123.5174.1-66.3153000107.5P2118 E2119 L2252 N2253 E2255 M2264 R2291P2118-I2266 CarbonylContact O-C 3.56Å; P2118-I2266 WeakPolarHBondContact O-CA 3.47Å; E2119-I2266 HydrophobicContact CG-CG1 4.05Å; L2252-I2266 VanDerWaalsContact CA-O 3.31Å; L2252-I2266 WeakPolarHBondContact CA-O 3.45Å; N2253-I2266 HydrophobicContact CB-CB 4.38Å; N2253-I2266 PolarHBondContact N-O 3.47Å; N2253-I2266 PolarHBondContact O-N 3.02Å; E2255-I2266 HydrophobicContact CB-CD1 4.08Å; E2255-I2266 HydrophobicContact CG-CD1 3.67Å; E2255-I2266 VanDerWaalsContact OE2-CD1 3.29Å; E2255-I2266 WeakPolarHBondContact OE2-CD1 3.44Å; M2264-I2266 HydrophobicContact CE-CG1 4.28Å; I2266-R2291 VanDerWaalsContact CD1-NH1 3.35Å
2267A86.3Confident73.7Confident0 Ų065.5 Ų65.50%036%0.356CS..EExtended strand (participates in β ladder)trans-107.7125.8179.500000110.6I2043 Y2052 P2118 T2251 L2252 L2294I2043-A2267 HydrophobicContact CD1-CB 4.45Å; Y2052-A2267 HydrophobicContact CD1-CB 4.47Å; Y2052-A2267 HydrophobicContact CD2-CB 3.67Å; Y2052-A2267 HydrophobicContact CE2-CB 3.74Å; Y2052-A2267 HydrophobicContact CG-CB 4.05Å; P2118-A2267 PolarHBondContact O-N 3.4Å; T2251-A2267 WeakPolarHBondContact O-CA 3.39Å; L2252-A2267 HydrophobicContact CD2-CB 3.74Å; A2267-L2294 HydrophobicContact CB-CD2 4.28Å
2268T85.2Confident73.5Confident32 Ų3271 Ų7120%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-127.9135.5172.735.40000110.3T2251 P2292T2251-T2268 PolarHBondContact N-O 3.22Å; T2251-T2268 PolarHBondContact O-N 3.34Å; T2251-T2268 PolarHBondContact OG1-O 3Å; T2251-T2268 PolarHBondContact OG1-OG1 3.27Å; T2268-P2292 HydrophobicContact CG2-CG 4.19Å
2269S83.1Confident73.5Confident32 Ų3261.7 Ų61.722%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-99148.517556.60000112.4S2249 L2294S2249-S2269 CarbonylContact O-C 3.57Å; S2249-S2269 WeakPolarHBondContact O-CA 3.4Å; S2269-L2294 VanDerWaalsContact CB-CD1 3.46Å; S2269-L2294 VanDerWaalsContact OG-CD1 3.31Å; S2269-L2294 WeakPolarHBondContact OG-CD1 3.42Å
2270E80.2Confident74.1Confident88 Ų8860.4 Ų60.441%0.41132%0.317SS..EExtended strand (participates in β ladder)trans-131.3117.9172.3173.2164.7-140.500109.5S2249 Q2275S2249-E2270 PolarHBondContact N-O 2.94Å; S2249-E2270 PolarHBondContact O-N 3.39Å; S2249-E2270 PolarHBondContact OG-O 3.46Å; S2249-E2270 VanDerWaalsContact OG-O 3.04Å; E2270-Q2275 PolarHBondContact OE1-NE2 3.4Å
2271H80.1Confident74.6Confident29 Ų2953.4 Ų53.413%0.13429%0.285CS..  trans-64.3144178.6-64.4-50000111.7D2248 G2273 W2280D2248-H2271 IonicContact OD1-CE1 3.28Å; D2248-H2271 IonicContact OD1-CG 2.72Å; D2248-H2271 IonicContact OD1-ND1 2.82Å; D2248-H2271 PolarHBondContact OD1-ND1 3.46Å; D2248-H2271 IonicContact OD2-CE1 2.8Å; D2248-H2271 PolarHBondContact OD2-CE1 3.08Å; D2248-H2271 VanDerWaalsContact OD2-CE1 3.25Å; D2248-H2271 IonicContact OD2-ND1 2.77Å; D2248-H2271 PolarHBondContact OD2-ND1 3.29Å; H2271-G2273 PolarHBondContact O-N 3.24Å; H2271-W2280 HydrophobicContact CB-CD2 4.02Å; H2271-W2280 HydrophobicContact CB-CG 4.17Å; H2271-W2280 HydrophobicContact CB-CZ2 4.3Å; H2271-W2280 AromaticContact CD2-CG 3.73Å; H2271-W2280 AromaticContact CG-CD2 3.8Å; H2271-W2280 AromaticContact CG-CG 3.92Å; H2271-W2280 AromaticContact ND1-CE3 3.88Å
2272P73.1Confident75Confident34 Ų3456.1 Ų56.122%0.22129%0.29CS..SBendtrans-71.1117.717627.4-31.8000111.5I2232 W2280I2232-P2272 HydrophobicContact CD1-CB 4.28Å; I2232-P2272 HydrophobicContact CD1-CG 4.24Å; P2272-W2280 HydrophobicContact CG-CH2 4.42Å; P2272-W2280 HydrophobicContact CG-CZ2 4.11Å
2273G69.4Low75Confident50 Ų5055.2 Ų55.252%0.51529%0.289SS..SBendtrans119.3-149.4174.900000113.5H2271H2271-G2273 PolarHBondContact O-N 3.24Å
2274D66.6Low74.9Confident80 Ų8055.8 Ų55.843%0.42830%0.299SS..  trans-80.7119.4173.9-177-1.9000109.8N2276 A2277D2274-N2276 PolarHBondContact O-N 2.99Å; D2274-N2276 WeakPolarHBondContact OD1-CB 3.44Å; D2274-N2276 PolarHBondContact OD1-N 3.41Å; D2274-N2276 PolarHBondContact OD1-ND2 2.9Å; D2274-A2277 VanDerWaalsContact O-CB 3.28Å; D2274-A2277 WeakPolarHBondContact O-CB 3.46Å; D2274-A2277 PolarHBondContact O-N 2.62Å
2275Q60.2Low74.8Confident125 Ų12559.1 Ų59.158%0.58432%0.318SS*.THydrogen-bonded Turntrans-58.6-19177.2-60.6-176.55.700112.9E2270E2270-Q2275 PolarHBondContact OE1-NE2 3.4Å
2276N58.6Low74.2Confident140 Ų14059.3 Ų59.375%0.74932%0.319SS*.THydrogen-bonded Turntrans-86.5-2177.5-58.4-74.3000114.2D2274 K2278D2274-N2276 PolarHBondContact O-N 2.99Å; D2274-N2276 WeakPolarHBondContact OD1-CB 3.44Å; D2274-N2276 PolarHBondContact OD1-N 3.41Å; D2274-N2276 PolarHBondContact OD1-ND2 2.9Å; N2276-K2278 PolarHBondContact O-N 2.75Å
2277A62.9Low73.6Confident26 Ų2665.7 Ų65.722%0.21536%0.358CS..  trans-65125.9179.600000111.5D2274 L2279 W2280D2274-A2277 VanDerWaalsContact O-CB 3.28Å; D2274-A2277 WeakPolarHBondContact O-CB 3.46Å; D2274-A2277 PolarHBondContact O-N 2.62Å; A2277-L2279 PolarHBondContact O-N 2.66Å; A2277-W2280 PolarHBondContact O-N 2.91Å; A2277-W2280 VanDerWaalsContact O-N 3.12Å
2278K66.1Low72.9Confident154 Ų15471.2 Ų71.267%0.6738%0.38SS*.THydrogen-bonded Turntrans-58.2-5.7178.6-65.5-176.3178.1-178.70115.4A2080 N2276A2080-K2278 HydrophobicContact CB-CB 4.31Å; A2080-K2278 WeakPolarHBondContact CB-O 3.46Å; N2276-K2278 PolarHBondContact O-N 2.75Å
2279L72.8Confident72.2Confident20 Ų2071.7 Ų71.711%0.10539%0.385CS..THydrogen-bonded Turntrans-75.4-28.7178.2-168.662.1000112.2A2080 L2081 I2224 A2277A2080-L2279 HydrophobicContact CB-CD1 4.22Å; L2081-L2279 HydrophobicContact CD2-CD1 3.76Å; L2081-L2279 HydrophobicContact CG-CD1 4.16Å; I2224-L2279 HydrophobicContact CG1-CD2 3.9Å; I2224-L2279 HydrophobicContact CG1-CG 4.45Å; I2224-L2279 HydrophobicContact CG2-CD2 4.41Å; A2277-L2279 PolarHBondContact O-N 2.66Å
2280W77.4Confident71.9Confident22 Ų2272.3 Ų72.38%0.08340%0.397CS..SBendtrans-96.5137.5178.9-53.9119.8000110.7A2204 F2205 I2224 H2271 P2272 A2277 K2282A2204-W2280 HydrophobicContact CB-CE3 4.35Å; A2204-W2280 HydrophobicContact CB-CZ3 3.83Å; F2205-W2280 HydrophobicContact CD2-CZ3 4.42Å; F2205-W2280 HydrophobicContact CE2-CE3 4.16Å; F2205-W2280 AromaticContact CE2-CZ3 3.87Å; F2205-W2280 HydrophobicContact CE2-CZ3 3.87Å; I2224-W2280 HydrophobicContact CD1-CH2 4.23Å; I2224-W2280 HydrophobicContact CD1-CZ3 4.43Å; I2224-W2280 HydrophobicContact CG2-CH2 4.19Å; I2224-W2280 HydrophobicContact CG2-CZ2 4.22Å; H2271-W2280 HydrophobicContact CB-CD2 4.02Å; H2271-W2280 HydrophobicContact CB-CG 4.17Å; H2271-W2280 HydrophobicContact CB-CZ2 4.3Å; H2271-W2280 AromaticContact CD2-CG 3.73Å; H2271-W2280 AromaticContact CG-CD2 3.8Å; H2271-W2280 AromaticContact CG-CG 3.92Å; H2271-W2280 AromaticContact ND1-CE3 3.88Å; P2272-W2280 HydrophobicContact CG-CH2 4.42Å; P2272-W2280 HydrophobicContact CG-CZ2 4.11Å; A2277-W2280 PolarHBondContact O-N 2.91Å; A2277-W2280 VanDerWaalsContact O-N 3.12Å; W2280-K2282 PolarHBondContact O-N 2.81Å
2281I75.6Confident71.9Confident17 Ų1771.4 Ų71.49%0.08739%0.389CS..PPolyproline II helixtrans-79.2116.3178.5-58.2-177.9000108.6I2069 I2113 T2283 Q2295 V2297I2069-I2281 HydrophobicContact CD1-CD1 3.85Å; I2113-I2281 HydrophobicContact CD1-CD1 4.43Å; I2113-I2281 HydrophobicContact CD1-CG2 4.46Å; I2281-T2283 PolarHBondContact O-N 3.22Å; I2281-T2283 VanDerWaalsContact O-N 3.1Å; I2281-Q2295 PolarHBondContact O-NE2 3.38Å; I2281-Q2295 VanDerWaalsContact O-NE2 3.16Å; I2281-V2297 HydrophobicContact CD1-CG2 3.9Å
2282K72.6Confident72Confident194 Ų19472.6 Ų72.684%0.84340%0.4SS*.PPolyproline II helixtrans-46.6117.3179.9-69-169.8177-1720112.2W2280W2280-K2282 PolarHBondContact O-N 2.81Å
2283T71.5Confident72.5Confident47 Ų4772.3 Ų72.329%0.28839%0.394SS..PPolyproline II helixtrans-64.5137.2175.8-59.50000111I2281 P2292 Y2293I2281-T2283 PolarHBondContact O-N 3.22Å; I2281-T2283 VanDerWaalsContact O-N 3.1Å; T2283-P2292 HydrophobicContact CG2-CB 3.77Å; T2283-Y2293 WeakPolarHBondContact CG2-O 3.41Å
2284A75.2Confident73.3Confident39 Ų3970 Ų7032%0.32237%0.37SS..PPolyproline II helixtrans-82152.3172.900000110.9Y2293A2284-Y2293 HydrophobicContact CB-CD2 4.08Å; A2284-Y2293 VanDerWaalsContact O-CD2 3.3Å; A2284-Y2293 WeakPolarHBondContact O-CD2 3.35Å; A2284-Y2293 PolarHBondContact O-N 2.81Å
2285N80.5Confident74.2Confident104 Ų10466.6 Ų66.656%0.55635%0.352SS*.BIsolated β-bridgetrans-90.5146.8169.7-68.3-0000110.4G2290N2285-G2290 PolarHBondContact ND2-O 2.83Å
2286T74.6Confident75.6Confident5 Ų560.7 Ų60.73%0.03132%0.324CS..PPolyproline II helixtrans-61.7140168.750.10000110.7P2118 Y2288 S2289 G2290 R2291 Y2293P2118-T2286 HydrophobicContact CG-CG2 3.91Å; T2286-Y2288 VanDerWaalsContact C-N 3.29Å; T2286-Y2288 HydrophobicContact CG2-CD1 4.49Å; T2286-Y2288 HydrophobicContact CG2-CE1 3.72Å; T2286-Y2288 PolarHBondContact O-N 2.72Å; T2286-S2289 PolarHBondContact OG1-OG 2.94Å; T2286-S2289 VanDerWaalsContact OG1-OG 3.04Å; T2286-G2290 WeakPolarHBondContact O-CA 3.34Å; T2286-G2290 PolarHBondContact O-N 3.08Å; T2286-G2290 PolarHBondContact OG1-N 3.15Å; T2286-R2291 WeakPolarHBondContact CG2-O 3.42Å; T2286-R2291 PolarHBondContact N-O 2.94Å; T2286-R2291 PolarHBondContact OG1-N 3.1Å; T2286-R2291 VanDerWaalsContact OG1-N 3.07Å; T2286-R2291 PolarHBondContact OG1-O 3.18Å; T2286-Y2293 HydrophobicContact CG2-CD1 4.09Å; T2286-Y2293 HydrophobicContact CG2-CD2 4.31Å; T2286-Y2293 HydrophobicContact CG2-CE1 3.71Å; T2286-Y2293 HydrophobicContact CG2-CE2 3.95Å; T2286-Y2293 HydrophobicContact CG2-CG 4.36Å
2287T73.9Confident77Confident141 Ų14154.3 Ų54.387%0.86529%0.29SS*.THydrogen-bonded Turntrans-70.3-25.7178.346.50000113.1
2288Y71.4Confident78.2Confident117 Ų11753.1 Ų53.146%0.45928%0.28SS..THydrogen-bonded Turntrans-99.4-35.2-17162.8-90.7000114E2119 T2286E2119-Y2288 WeakPolarHBondContact OE2-CE2 3.42Å; T2286-Y2288 VanDerWaalsContact C-N 3.29Å; T2286-Y2288 HydrophobicContact CG2-CD1 4.49Å; T2286-Y2288 HydrophobicContact CG2-CE1 3.72Å; T2286-Y2288 PolarHBondContact O-N 2.72Å
2289S69.4Low79.4Confident41 Ų4145.8 Ų45.829%0.28725%0.248SC..THydrogen-bonded Turntrans-115.5-6179.768.40000114.5E2119 T2286 R2291E2119-S2289 WeakPolarHBondContact OE1-CB 3.32Å; E2119-S2289 PolarHBondContact OE1-OG 3.4Å; T2286-S2289 PolarHBondContact OG1-OG 2.94Å; T2286-S2289 VanDerWaalsContact OG1-OG 3.04Å; S2289-R2291 PolarHBondContact O-N 2.95Å
2290G77.5Confident80Confident46 Ų4645 Ų4547%0.47424%0.244SC..  trans68.2-0.3-178.900000114.6N2285 T2286N2285-G2290 PolarHBondContact ND2-O 2.83Å; T2286-G2290 WeakPolarHBondContact O-CA 3.34Å; T2286-G2290 PolarHBondContact O-N 3.08Å; T2286-G2290 PolarHBondContact OG1-N 3.15Å
2291R80.3Confident80.2Confident68 Ų6845.8 Ų45.826%0.25725%0.25SS..PPolyproline II helixtrans-76.5144.2178-65.6169.3173.3170.2-11.5110.3P2118 E2119 E2255 I2266 T2286 S2289P2118-R2291 HydrophobicContact CB-CB 4.26Å; P2118-R2291 HydrophobicContact CG-CB 3.68Å; E2119-R2291 IonicContact OE1-CZ 3.18Å; E2119-R2291 IonicContact OE1-NH1 3.95Å; E2119-R2291 PolarHBondContact OE1-NH1 2.71Å; E2255-R2291 IonicContact OE1-CZ 3.66Å; E2255-R2291 IonicContact OE1-NH2 3.77Å; E2255-R2291 PolarHBondContact OE1-NH2 3.02Å; E2255-R2291 IonicContact OE2-CZ 3.6Å; E2255-R2291 IonicContact OE2-NH1 2.78Å; E2255-R2291 IonicContact OE2-NH2 3.52Å; E2255-R2291 PolarHBondContact OE2-NH2 3.5Å; I2266-R2291 VanDerWaalsContact CD1-NH1 3.35Å; T2286-R2291 WeakPolarHBondContact CG2-O 3.42Å; T2286-R2291 PolarHBondContact N-O 2.94Å; T2286-R2291 PolarHBondContact OG1-N 3.1Å; T2286-R2291 VanDerWaalsContact OG1-N 3.07Å; T2286-R2291 PolarHBondContact OG1-O 3.18Å; S2289-R2291 PolarHBondContact O-N 2.95Å
2292P81.8Confident80.4Confident54 Ų5449.4 Ų49.435%0.35126%0.263SS..BIsolated β-bridgetrans-67.2144.3177.528.2-34.2000111.7P2118 T2268 T2283P2118-P2292 WeakPolarHBondContact CB-O 3.47Å; T2268-P2292 HydrophobicContact CG2-CG 4.19Å; T2283-P2292 HydrophobicContact CG2-CB 3.77Å
2293Y84.3Confident80.2Confident29 Ų2940.4 Ų40.411%0.11422%0.224CC..PPolyproline II helixtrans-69.4149.1171.2-74.5-80.9000111.7R2115 F2116 R2117 T2283 A2284 T2286 Q2295R2115-Y2293 HydrophobicContact CB-CD1 4.03Å; R2115-Y2293 HydrophobicContact CB-CG 4.05Å; F2116-Y2293 WeakPolarHBondContact O-CD1 3.16Å; R2117-Y2293 HydrophobicContact CG-CE1 4.23Å; T2283-Y2293 WeakPolarHBondContact CG2-O 3.41Å; A2284-Y2293 HydrophobicContact CB-CD2 4.08Å; A2284-Y2293 VanDerWaalsContact O-CD2 3.3Å; A2284-Y2293 WeakPolarHBondContact O-CD2 3.35Å; A2284-Y2293 PolarHBondContact O-N 2.81Å; T2286-Y2293 HydrophobicContact CG2-CD1 4.09Å; T2286-Y2293 HydrophobicContact CG2-CD2 4.31Å; T2286-Y2293 HydrophobicContact CG2-CE1 3.71Å; T2286-Y2293 HydrophobicContact CG2-CE2 3.95Å; T2286-Y2293 HydrophobicContact CG2-CG 4.36Å; Y2293-Q2295 PolarHBondContact O-N 2.96Å
2294L86.3Confident79.9Confident1 Ų142.9 Ų42.91%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-82.4111.8168174.458.1000108.3L2041 Y2052 F2116 I2202 L2250 A2267 S2269L2041-L2294 HydrophobicContact CD2-CD2 3.48Å; L2041-L2294 VanDerWaalsContact CD2-CD2 3.48Å; L2041-L2294 HydrophobicContact CD2-CG 4.17Å; Y2052-L2294 HydrophobicContact CE1-CD2 4.25Å; F2116-L2294 HydrophobicContact CB-CB 4.15Å; F2116-L2294 HydrophobicContact CB-CG 4.47Å; F2116-L2294 HydrophobicContact CD2-CG 4.39Å; F2116-L2294 WeakPolarHBondContact CD2-O 3.28Å; F2116-L2294 PolarHBondContact N-O 3.13Å; F2116-L2294 PolarHBondContact O-N 3.44Å; I2202-L2294 HydrophobicContact CD1-CD1 4.35Å; L2250-L2294 HydrophobicContact CD1-CD2 4.31Å; A2267-L2294 HydrophobicContact CB-CD2 4.28Å; S2269-L2294 VanDerWaalsContact CB-CD1 3.46Å; S2269-L2294 VanDerWaalsContact OG-CD1 3.31Å; S2269-L2294 WeakPolarHBondContact OG-CD1 3.42Å
2295Q86.2Confident79.2Confident8 Ų843.3 Ų43.34%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-113.3135.3-165.3-168.4178.8-90.200113.1I2113 V2114 R2115 I2281 Y2293I2113-Q2295 HydrophobicContact CG2-CG 3.59Å; V2114-Q2295 WeakPolarHBondContact O-CA 3.17Å; R2115-Q2295 HydrophobicContact CG-CG 4.36Å; I2281-Q2295 PolarHBondContact O-NE2 3.38Å; I2281-Q2295 VanDerWaalsContact O-NE2 3.16Å; Y2293-Q2295 PolarHBondContact O-N 2.96Å
2296V88Confident78.2Confident2 Ų240.2 Ų40.21%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-133138.1176.3176.30000109.9V2114 F2116 L2150 I2202 I2206V2114-V2296 PolarHBondContact N-O 2.96Å; V2114-V2296 PolarHBondContact O-N 3.16Å; F2116-V2296 HydrophobicContact CE2-CB 4.31Å; F2116-V2296 HydrophobicContact CE2-CG2 3.97Å; L2150-V2296 HydrophobicContact CD2-CG1 4.38Å; I2202-V2296 HydrophobicContact CD1-CG2 4.02Å; I2202-V2296 HydrophobicContact CG1-CG2 4.41Å; I2206-V2296 HydrophobicContact CD1-CG1 3.49Å; I2206-V2296 VanDerWaalsContact CD1-CG1 3.49Å; I2206-V2296 HydrophobicContact CG1-CG1 3.96Å
2297V89Confident77.4Confident6 Ų644.7 Ų44.74%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-104.4119178.6-175.50000110.5I2111 L2112 A2204 F2205 I2206 I2281I2111-V2297 HydrophobicContact CG2-CG1 3.85Å; L2112-V2297 CarbonylContact O-C 3.41Å; L2112-V2297 WeakPolarHBondContact O-CA 3.1Å; A2204-V2297 PolarHBondContact O-N 3.26Å; F2205-V2297 CarbonylContact C-O 3.35Å; F2205-V2297 WeakPolarHBondContact CA-O 3.44Å; F2205-V2297 HydrophobicContact CD1-CB 3.77Å; F2205-V2297 HydrophobicContact CD1-CG1 4.07Å; F2205-V2297 HydrophobicContact CD1-CG2 4.26Å; F2205-V2297 HydrophobicContact CE1-CB 4.15Å; F2205-V2297 HydrophobicContact CE1-CG1 4.32Å; F2205-V2297 HydrophobicContact CE1-CG2 4.18Å; I2206-V2297 PolarHBondContact N-O 3.25Å; I2281-V2297 HydrophobicContact CD1-CG2 3.9Å
2298G88.2Confident76.8Confident0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-104.6123.9178.900000113.2L2112 I2206L2112-G2298 PolarHBondContact N-O 2.89Å; L2112-G2298 PolarHBondContact O-N 3.12Å; I2206-G2298 CarbonylContact O-C 3.57Å; I2206-G2298 VanDerWaalsContact O-CA 3.32Å; I2206-G2298 WeakPolarHBondContact O-CA 3.31Å
2299F90Very high76.2Confident0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-90.6117.9167.8-61.2-85.9000109.1Y2102 L2103 Y2106 I2111 F2205 I2206 Q2207 V2208 P2217 I2220Y2102-F2299 HydrophobicContact CE1-CD2 4.48Å; Y2102-F2299 HydrophobicContact CE1-CG 4.46Å; L2103-F2299 HydrophobicContact CD1-CE1 3.9Å; L2103-F2299 HydrophobicContact CD1-CZ 4.39Å; Y2106-F2299 HydrophobicContact CD1-CB 4.32Å; Y2106-F2299 AromaticContact CD2-CD1 3.88Å; Y2106-F2299 HydrophobicContact CD2-CD1 3.88Å; Y2106-F2299 HydrophobicContact CE1-CB 4.02Å; Y2106-F2299 HydrophobicContact CE2-CB 4.25Å; Y2106-F2299 HydrophobicContact CE2-CD1 4.21Å; Y2106-F2299 HydrophobicContact CE2-CG 4.48Å; Y2106-F2299 HydrophobicContact CG-CD1 4.11Å; I2111-F2299 HydrophobicContact CD1-CD1 4.13Å; I2111-F2299 HydrophobicContact CD1-CE1 3.89Å; I2111-F2299 HydrophobicContact CG1-CD1 3.77Å; I2111-F2299 HydrophobicContact CG1-CE1 3.99Å; I2111-F2299 HydrophobicContact CG2-CE1 4.41Å; F2205-F2299 HydrophobicContact CB-CE2 4.22Å; F2205-F2299 AromaticContact CD1-CE2 3.94Å; F2205-F2299 HydrophobicContact CD1-CE2 3.94Å; F2205-F2299 HydrophobicContact CD1-CZ 4.24Å; F2205-F2299 HydrophobicContact CG-CE2 4.49Å; I2206-F2299 WeakPolarHBondContact O-CD2 3.46Å; I2206-F2299 PolarHBondContact O-N 3Å; Q2207-F2299 CarbonylContact C-O 3.58Å; Q2207-F2299 WeakPolarHBondContact CA-O 3.34Å; Q2207-F2299 HydrophobicContact CB-CB 4.42Å; V2208-F2299 PolarHBondContact N-O 3.48Å; P2217-F2299 HydrophobicContact CG-CD2 4.47Å; P2217-F2299 HydrophobicContact CG-CE2 4.29Å; I2220-F2299 HydrophobicContact CD1-CE2 4.07Å; I2220-F2299 HydrophobicContact CD1-CZ 3.79Å
2300I87Confident75.8Confident5 Ų541.5 Ų41.53%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-102.5120.4-171.9-59.6169.1000110P2036 D2110 L2112 V2208P2036-I2300 HydrophobicContact CG-CD1 4.39Å; D2110-I2300 PolarHBondContact O-N 2.9Å; L2112-I2300 HydrophobicContact CB-CD1 3.92Å; L2112-I2300 HydrophobicContact CD2-CD1 4.25Å; V2208-I2300 HydrophobicContact CG2-CG1 4.48Å
2301D82Confident74.9Confident38 Ų3842.8 Ų42.820%0.20321%0.214CC..PPolyproline II helixtrans-70.8141.5170.3-74.513.1000111Y2106 R2154 Q2207 V2208 P2209 N2210Y2106-D2301 PolarHBondContact OH-OD1 3.49Å; R2154-D2301 PolarHBondContact NH1-O 2.76Å; R2154-D2301 PolarHBondContact NH2-O 3.2Å; Q2207-D2301 PolarHBondContact NE2-OD1 3.36Å; V2208-D2301 PolarHBondContact O-N 3.49Å; P2209-D2301 WeakPolarHBondContact CA-OD2 3.24Å; N2210-D2301 PolarHBondContact OD1-O 2.9Å; N2210-D2301 VanDerWaalsContact OD1-O 3.07Å
2302R77.8Confident73.8Confident93 Ų9343.3 Ų43.335%0.35122%0.218SC..PPolyproline II helixtrans-81.4131176.4-64.1-173.2-175.2-159.6-0.8112.5T2032 I2033 T2107 D2110 N2210T2032-R2302 CarbonylContact O-C 3.46Å; T2032-R2302 WeakPolarHBondContact O-CA 3.18Å; T2032-R2302 WeakPolarHBondContact O-CB 3.21Å; I2033-R2302 HydrophobicContact CG1-CG 4.06Å; T2107-R2302 PolarHBondContact OG1-NH2 3Å; D2110-R2302 WeakPolarHBondContact OD1-CG 3.37Å; D2110-R2302 IonicContact OD1-CZ 2.78Å; D2110-R2302 IonicContact OD1-NE 3.54Å; D2110-R2302 PolarHBondContact OD1-NE 2.88Å; D2110-R2302 IonicContact OD1-NH2 3.22Å; D2110-R2302 PolarHBondContact OD1-NH2 3.34Å; D2110-R2302 IonicContact OD2-CZ 3.96Å; D2110-R2302 IonicContact OD2-NE 3.27Å; D2110-R2302 PolarHBondContact OD2-NE 2.82Å; D2110-R2302 IonicContact OD2-NH2 3.33Å; D2110-R2302 PolarHBondContact OD2-NH2 2.97Å; N2210-R2302 PolarHBondContact ND2-O 3.13Å; N2210-R2302 PolarHBondContact OD1-O 3.48Å; N2210-R2302 VanDerWaalsContact OD1-O 3.13Å
2303A69.2Low72.7Confident4 Ų448.1 Ų48.13%0.03323%0.233CC..BIsolated β-bridgetrans-74157.7-17900000112.9G2031 T2032 E2160 N2210G2031-A2303 WeakPolarHBondContact CA-O 3.35Å; T2032-A2303 PolarHBondContact N-O 3.28Å; T2032-A2303 PolarHBondContact O-N 2.95Å; T2032-A2303 PolarHBondContact OG1-O 2.78Å; E2160-A2303 HydrophobicContact CB-CB 4.49Å; E2160-A2303 WeakPolarHBondContact OE2-CB 3.5Å; N2210-A2303 PolarHBondContact OD1-N 3.42Å
2304F64.9Low71.5Confident99 Ų9948.7 Ų48.743%0.43425%0.247SC..  trans-115.4140.8173.1-68.1-74.7000110.2S2306F2304-S2306 PolarHBondContact O-N 3.32Å
2305P61.9Low70.4Confident49 Ų4951.2 Ų51.232%0.31827%0.274SS..  trans-51.8133.4171.9-2834.1000112.7F2307 L2308 A2309P2305-F2307 PolarHBondContact O-N 2.97Å; P2305-L2308 HydrophobicContact CB-CD1 4.46Å; P2305-L2308 HydrophobicContact CG-CD1 4.32Å; P2305-L2308 WeakPolarHBondContact O-CB 3.39Å; P2305-L2308 PolarHBondContact O-N 3.18Å; P2305-A2309 PolarHBondContact O-N 3.43Å
2306S59.4Low69.2Low38 Ų3853.3 Ų53.327%0.26629%0.287SS..Hα-helixtrans-53.2-34.5-170.954.20000115.3N2159 N2161 F2304 K2310N2159-S2306 WeakPolarHBondContact O-CB 3.47Å; N2159-S2306 PolarHBondContact O-N 3.01Å; N2159-S2306 PolarHBondContact O-OG 2.64Å; N2161-S2306 VanDerWaalsContact ND2-CB 3.26Å; N2161-S2306 WeakPolarHBondContact ND2-CB 3.39Å; F2304-S2306 PolarHBondContact O-N 3.32Å; S2306-K2310 WeakPolarHBondContact O-CB 3.26Å; S2306-K2310 PolarHBondContact O-N 3.07Å
2307F58Low68.3Low100 Ų10059.1 Ų59.144%0.43932%0.317SS..Hα-helixtrans-60.6-46.1174.9173.4-100.9000112.2P2305 K2310 V2311P2305-F2307 PolarHBondContact O-N 2.97Å; F2307-K2310 PolarHBondContact O-N 2.69Å; F2307-V2311 HydrophobicContact CE1-CG2 4.44Å; F2307-V2311 HydrophobicContact CE2-CG2 4.24Å; F2307-V2311 HydrophobicContact CZ-CG2 4.13Å; F2307-V2311 WeakPolarHBondContact O-CG2 3.41Å; F2307-V2311 PolarHBondContact O-N 2.94Å; F2307-V2311 VanDerWaalsContact O-N 3.14Å
2308L59.6Low67.5Low21 Ų2161.9 Ų61.911%0.1134%0.34CS..Hα-helixtrans-66.2-47179.4-64.3178.4000110.1L2027 P2305 K2310 V2311 F2312L2027-L2308 HydrophobicContact CD1-CD2 3.96Å; L2027-L2308 HydrophobicContact CD2-CD1 4.29Å; L2027-L2308 HydrophobicContact CD2-CD2 4.11Å; P2305-L2308 HydrophobicContact CB-CD1 4.46Å; P2305-L2308 HydrophobicContact CG-CD1 4.32Å; P2305-L2308 WeakPolarHBondContact O-CB 3.39Å; P2305-L2308 PolarHBondContact O-N 3.18Å; L2308-K2310 PolarHBondContact O-N 3.29Å; L2308-V2311 PolarHBondContact O-N 3.41Å; L2308-F2312 HydrophobicContact CB-CD2 4.02Å; L2308-F2312 HydrophobicContact CB-CE2 3.98Å; L2308-F2312 HydrophobicContact CD2-CE2 4.09Å; L2308-F2312 WeakPolarHBondContact O-CB 3.29Å; L2308-F2312 WeakPolarHBondContact O-CD2 3.4Å; L2308-F2312 PolarHBondContact O-N 3.19Å
2309A59Low66.4Low34 Ų3466 Ų6628%0.28137%0.366SS..Hα-helixtrans-56.9-33.9176.600000112.9P2305 K2313P2305-A2309 PolarHBondContact O-N 3.43Å; A2309-K2313 WeakPolarHBondContact O-CB 3.47Å; A2309-K2313 VanDerWaalsContact O-CG 3.23Å; A2309-K2313 WeakPolarHBondContact O-CG 3.22Å; A2309-K2313 PolarHBondContact O-N 2.88Å
2310K62Low65.6Low177 Ų17769.1 Ų69.177%0.7738%0.377SS*.Hα-helixtrans-76.8-35.3178.9-153.8171.2-171.5176.30113S2306 F2307 L2308S2306-K2310 WeakPolarHBondContact O-CB 3.26Å; S2306-K2310 PolarHBondContact O-N 3.07Å; F2307-K2310 PolarHBondContact O-N 2.69Å; L2308-K2310 PolarHBondContact O-N 3.29Å
2311V57.6Low65.1Low73 Ų7373.2 Ų73.244%0.44240%0.399SS..Hα-helixtrans-74-42.8175.3174.90000111.4F2307 L2308 K2313 G2314 V2316F2307-V2311 HydrophobicContact CE1-CG2 4.44Å; F2307-V2311 HydrophobicContact CE2-CG2 4.24Å; F2307-V2311 HydrophobicContact CZ-CG2 4.13Å; F2307-V2311 WeakPolarHBondContact O-CG2 3.41Å; F2307-V2311 PolarHBondContact O-N 2.94Å; F2307-V2311 VanDerWaalsContact O-N 3.14Å; L2308-V2311 PolarHBondContact O-N 3.41Å; V2311-K2313 PolarHBondContact O-N 3.48Å; V2311-G2314 PolarHBondContact O-N 3.31Å; V2311-G2314 VanDerWaalsContact O-N 3.13Å; V2311-V2316 HydrophobicContact CG1-CG2 4.48Å
2312F57.9Low64.8Low78 Ų7874.2 Ų74.234%0.34241%0.409SS..Hα-helixtrans-74.6-19.1-179.6-68.7-58.8000114.3W2024 L2027 L2308 G2314 V2316W2024-F2312 AromaticContact CD1-CE1 3.91Å; L2027-F2312 HydrophobicContact CB-CZ 4.49Å; L2027-F2312 HydrophobicContact CD1-CZ 4.41Å; L2308-F2312 HydrophobicContact CB-CD2 4.02Å; L2308-F2312 HydrophobicContact CB-CE2 3.98Å; L2308-F2312 HydrophobicContact CD2-CE2 4.09Å; L2308-F2312 WeakPolarHBondContact O-CB 3.29Å; L2308-F2312 WeakPolarHBondContact O-CD2 3.4Å; L2308-F2312 PolarHBondContact O-N 3.19Å; F2312-G2314 PolarHBondContact O-N 2.92Å; F2312-V2316 HydrophobicContact CD1-CG2 3.76Å; F2312-V2316 HydrophobicContact CE1-CG2 4.23Å
2313K58.4Low64.6Low156 Ų15672.8 Ų72.868%0.67841%0.41SS*.THydrogen-bonded Turntrans-68.4-13.4167.4-82177.4-179.1-175.70112.9A2309 V2311A2309-K2313 WeakPolarHBondContact O-CB 3.47Å; A2309-K2313 VanDerWaalsContact O-CG 3.23Å; A2309-K2313 WeakPolarHBondContact O-CG 3.22Å; A2309-K2313 PolarHBondContact O-N 2.88Å; V2311-K2313 PolarHBondContact O-N 3.48Å
2314G59.4Low65.2Low40 Ų4075 Ų7541%0.41242%0.421SS..SBendtrans-99.2156.7169.600000112.7V2311 F2312 V2316V2311-G2314 PolarHBondContact O-N 3.31Å; V2311-G2314 VanDerWaalsContact O-N 3.13Å; F2312-G2314 PolarHBondContact O-N 2.92Å; G2314-V2316 PolarHBondContact O-N 2.97Å
2315G63.7Low65.9Low54 Ų5475.9 Ų75.956%0.55743%0.43SS*.  trans-6884.9-179.400000113.4I2317 A2318 V2319G2315-I2317 PolarHBondContact O-N 3.07Å; G2315-I2317 VanDerWaalsContact O-N 3.15Å; G2315-A2318 WeakPolarHBondContact O-CA 3.39Å; G2315-A2318 WeakPolarHBondContact O-CB 3.41Å; G2315-A2318 PolarHBondContact O-N 3.17Å; G2315-V2319 PolarHBondContact O-N 3.1Å
2316V60.2Low66.8Low53 Ų5378.4 Ų78.432%0.32144%0.444SS..Hα-helixtrans-54.8-35-177.8179.10000112.8V2311 F2312 G2314 A2318 V2319 Y2320V2311-V2316 HydrophobicContact CG1-CG2 4.48Å; F2312-V2316 HydrophobicContact CD1-CG2 3.76Å; F2312-V2316 HydrophobicContact CE1-CG2 4.23Å; G2314-V2316 PolarHBondContact O-N 2.97Å; V2316-A2318 VanDerWaalsContact C-N 3.34Å; V2316-A2318 PolarHBondContact O-N 3.09Å; V2316-V2319 PolarHBondContact O-N 2.92Å; V2316-Y2320 VanDerWaalsContact O-CB 3.3Å; V2316-Y2320 WeakPolarHBondContact O-CB 3.34Å; V2316-Y2320 PolarHBondContact O-N 3.31Å
2317I69Low67.6Low123 Ų12378 Ų7863%0.63144%0.44SS*.Hα-helixtrans-63.5-38.6174.4-64.4170.5000111.5G2315 L2321G2315-I2317 PolarHBondContact O-N 3.07Å; G2315-I2317 VanDerWaalsContact O-N 3.15Å; I2317-L2321 HydrophobicContact CG2-CD1 3.94Å; I2317-L2321 HydrophobicContact CG2-CG 4.45Å; I2317-L2321 VanDerWaalsContact O-CB 3.31Å; I2317-L2321 WeakPolarHBondContact O-CB 3.41Å; I2317-L2321 VanDerWaalsContact O-CG 3.29Å; I2317-L2321 WeakPolarHBondContact O-CG 3.49Å; I2317-L2321 PolarHBondContact O-N 3.35Å
2318A71.5Confident68.5Low64 Ų6474.9 Ų74.953%0.52944%0.436SS..Hα-helixtrans-70.5-38.517600000111.5G2315 V2316 S2322G2315-A2318 WeakPolarHBondContact O-CA 3.39Å; G2315-A2318 WeakPolarHBondContact O-CB 3.41Å; G2315-A2318 PolarHBondContact O-N 3.17Å; V2316-A2318 VanDerWaalsContact C-N 3.34Å; V2316-A2318 PolarHBondContact O-N 3.09Å; A2318-S2322 VanDerWaalsContact O-CB 3.26Å; A2318-S2322 WeakPolarHBondContact O-CB 3.43Å; A2318-S2322 PolarHBondContact O-N 3.4Å; A2318-S2322 PolarHBondContact O-OG 3.36Å
2319V66.8Low69.4Low88 Ų8883.2 Ų83.253%0.53347%0.466SS..Hα-helixtrans-62-49.8172.4-179.70000110.3G2315 V2316 L2321 S2322 V2323G2315-V2319 PolarHBondContact O-N 3.1Å; V2316-V2319 PolarHBondContact O-N 2.92Å; V2319-L2321 PolarHBondContact O-N 3.3Å; V2319-S2322 PolarHBondContact O-N 3.11Å; V2319-S2322 VanDerWaalsContact O-N 3.17Å; V2319-S2322 PolarHBondContact O-OG 3.42Å; V2319-V2323 HydrophobicContact CG1-CG2 4.39Å; V2319-V2323 WeakPolarHBondContact O-CG2 3.3Å; V2319-V2323 PolarHBondContact O-N 2.95Å
2320Y71.7Confident69.8Low64 Ų6483.9 Ų83.925%0.25148%0.476SS..Hα-helixtrans-57.1-48.8176.3172.6-105.1000112.7P2020 V2316 S2322 V2323 I2324P2020-Y2320 HydrophobicContact CB-CD2 3.65Å; P2020-Y2320 HydrophobicContact CB-CE2 3.93Å; P2020-Y2320 HydrophobicContact CG-CD2 3.9Å; P2020-Y2320 HydrophobicContact CG-CE2 4.01Å; V2316-Y2320 VanDerWaalsContact O-CB 3.3Å; V2316-Y2320 WeakPolarHBondContact O-CB 3.34Å; V2316-Y2320 PolarHBondContact O-N 3.31Å; Y2320-S2322 VanDerWaalsContact C-N 3.35Å; Y2320-S2322 PolarHBondContact O-N 3.49Å; Y2320-V2323 PolarHBondContact O-N 3.5Å; Y2320-I2324 HydrophobicContact CD1-CD1 4.32Å; Y2320-I2324 HydrophobicContact CD2-CD1 4.03Å; Y2320-I2324 HydrophobicContact CE1-CD1 3.73Å; Y2320-I2324 HydrophobicContact CE2-CD1 3.4Å; Y2320-I2324 VanDerWaalsContact CE2-CD1 3.4Å; Y2320-I2324 HydrophobicContact CE2-CG1 4.31Å; Y2320-I2324 HydrophobicContact CG-CD1 4.46Å; Y2320-I2324 WeakPolarHBondContact O-CB 3.35Å; Y2320-I2324 PolarHBondContact O-N 2.9Å; Y2320-I2324 WeakPolarHBondContact OH-CD1 3.35Å
2321L77.6Confident70.2Confident92 Ų9280.7 Ų80.748%0.48247%0.467SS..Hα-helixtrans-61.7-41.3174.9-77.1169.1000111.7I2317 V2319 I2324 L2325I2317-L2321 HydrophobicContact CG2-CD1 3.94Å; I2317-L2321 HydrophobicContact CG2-CG 4.45Å; I2317-L2321 VanDerWaalsContact O-CB 3.31Å; I2317-L2321 WeakPolarHBondContact O-CB 3.41Å; I2317-L2321 VanDerWaalsContact O-CG 3.29Å; I2317-L2321 WeakPolarHBondContact O-CG 3.49Å; I2317-L2321 PolarHBondContact O-N 3.35Å; V2319-L2321 PolarHBondContact O-N 3.3Å; L2321-I2324 PolarHBondContact O-N 2.92Å; L2321-L2325 VanDerWaalsContact O-CB 3.23Å; L2321-L2325 WeakPolarHBondContact O-CB 3.38Å; L2321-L2325 WeakPolarHBondContact O-CG 3.49Å; L2321-L2325 PolarHBondContact O-N 3.04Å
2322S76.4Confident71Confident58 Ų5880.1 Ų80.141%0.40646%0.463SS..Hα-helixtrans-64.2-42.5177.476.30000111.8A2318 V2319 Y2320 L2325 V2326A2318-S2322 VanDerWaalsContact O-CB 3.26Å; A2318-S2322 WeakPolarHBondContact O-CB 3.43Å; A2318-S2322 PolarHBondContact O-N 3.4Å; A2318-S2322 PolarHBondContact O-OG 3.36Å; V2319-S2322 PolarHBondContact O-N 3.11Å; V2319-S2322 VanDerWaalsContact O-N 3.17Å; V2319-S2322 PolarHBondContact O-OG 3.42Å; Y2320-S2322 VanDerWaalsContact C-N 3.35Å; Y2320-S2322 PolarHBondContact O-N 3.49Å; S2322-L2325 PolarHBondContact O-N 3.33Å; S2322-V2326 WeakPolarHBondContact O-CB 3.49Å; S2322-V2326 WeakPolarHBondContact O-CG2 3.09Å; S2322-V2326 PolarHBondContact O-N 2.94Å
2323V73.5Confident71.9Confident63 Ų6383.8 Ų83.838%0.38248%0.475SS..Hα-helixtrans-66.5-44.2178.41690000110.9F2016 V2319 Y2320 V2326 V2327F2016-V2323 HydrophobicContact CE1-CG1 4.01Å; F2016-V2323 HydrophobicContact CE2-CG1 4.48Å; F2016-V2323 HydrophobicContact CZ-CG1 3.48Å; F2016-V2323 VanDerWaalsContact CZ-CG1 3.48Å; V2319-V2323 HydrophobicContact CG1-CG2 4.39Å; V2319-V2323 WeakPolarHBondContact O-CG2 3.3Å; V2319-V2323 PolarHBondContact O-N 2.95Å; Y2320-V2323 PolarHBondContact O-N 3.5Å; V2323-V2326 PolarHBondContact O-N 3.39Å; V2323-V2327 PolarHBondContact O-N 3.07Å
2324I80Confident72.6Confident51 Ų5177.4 Ų77.426%0.26245%0.453SS..Hα-helixtrans-67-37.8175.3-73.8-176.7000111.8Y2320 L2321 G2328Y2320-I2324 HydrophobicContact CD1-CD1 4.32Å; Y2320-I2324 HydrophobicContact CD2-CD1 4.03Å; Y2320-I2324 HydrophobicContact CE1-CD1 3.73Å; Y2320-I2324 HydrophobicContact CE2-CD1 3.4Å; Y2320-I2324 VanDerWaalsContact CE2-CD1 3.4Å; Y2320-I2324 HydrophobicContact CE2-CG1 4.31Å; Y2320-I2324 HydrophobicContact CG-CD1 4.46Å; Y2320-I2324 WeakPolarHBondContact O-CB 3.35Å; Y2320-I2324 PolarHBondContact O-N 2.9Å; Y2320-I2324 WeakPolarHBondContact OH-CD1 3.35Å; L2321-I2324 PolarHBondContact O-N 2.92Å; I2324-G2328 WeakPolarHBondContact O-CA 3.05Å; I2324-G2328 PolarHBondContact O-N 3.48Å
2325L81.1Confident73.3Confident117 Ų11780.9 Ų80.961%0.61346%0.461SS*.Hα-helixtrans-68.4-40.1174.8-75.1168.7000111.5L2321 S2322 R2329L2321-L2325 VanDerWaalsContact O-CB 3.23Å; L2321-L2325 WeakPolarHBondContact O-CB 3.38Å; L2321-L2325 WeakPolarHBondContact O-CG 3.49Å; L2321-L2325 PolarHBondContact O-N 3.04Å; S2322-L2325 PolarHBondContact O-N 3.33Å; L2325-R2329 WeakPolarHBondContact O-CA 3.45Å; L2325-R2329 WeakPolarHBondContact O-CB 3.41Å; L2325-R2329 PolarHBondContact O-N 3.13Å
2326V79.9Confident73.9Confident102 Ų10285.4 Ų85.462%0.61847%0.466SS*.Hα-helixtrans-66.1-45.4176.6166.80000111.2S2322 V2323 G2330S2322-V2326 WeakPolarHBondContact O-CB 3.49Å; S2322-V2326 WeakPolarHBondContact O-CG2 3.09Å; S2322-V2326 PolarHBondContact O-N 2.94Å; V2323-V2326 PolarHBondContact O-N 3.39Å; V2326-G2330 WeakPolarHBondContact O-CA 3.47Å; V2326-G2330 PolarHBondContact O-N 2.98Å
2327V76Confident74.8Confident30 Ų3086.8 Ų86.818%0.18247%0.474CS..Iπ-helixtrans-73.7-40.4178.1171.90000111.9F2016 V2323 L2331 V2332F2016-V2327 HydrophobicContact CD1-CB 4.47Å; F2016-V2327 HydrophobicContact CD1-CG1 4.12Å; F2016-V2327 HydrophobicContact CE1-CB 3.67Å; F2016-V2327 HydrophobicContact CE1-CG1 3.79Å; F2016-V2327 HydrophobicContact CE1-CG2 3.68Å; F2016-V2327 HydrophobicContact CE2-CG2 4.12Å; F2016-V2327 HydrophobicContact CZ-CB 3.9Å; F2016-V2327 HydrophobicContact CZ-CG1 4.15Å; F2016-V2327 HydrophobicContact CZ-CG2 3.33Å; V2323-V2327 PolarHBondContact O-N 3.07Å; V2327-L2331 HydrophobicContact CG1-CB 4.41Å; V2327-L2331 HydrophobicContact CG1-CD1 4.28Å; V2327-L2331 HydrophobicContact CG2-CD1 4.17Å; V2327-L2331 WeakPolarHBondContact O-CB 3.35Å; V2327-L2331 PolarHBondContact O-N 2.81Å; V2327-L2331 VanDerWaalsContact O-N 3.13Å; V2327-V2332 HydrophobicContact CG1-CG2 4.33Å; V2327-V2332 PolarHBondContact O-N 3.34Å
2328G77Confident75Confident34 Ų3484.4 Ų84.435%0.35147%0.466SS..Iπ-helixtrans-65.6-45.4177.200000113.1I2324 R2333I2324-G2328 WeakPolarHBondContact O-CA 3.05Å; I2324-G2328 PolarHBondContact O-N 3.48Å; G2328-R2333 WeakPolarHBondContact O-CB 3.27Å; G2328-R2333 PolarHBondContact O-N 2.99Å
2329R77.8Confident75.3Confident197 Ų19784.4 Ų84.474%0.74346%0.462SS*.Iπ-helixtrans-83.8-41.2-179.6-171.2-177.3171.199.81.8112.9L2325L2325-R2329 WeakPolarHBondContact O-CA 3.45Å; L2325-R2329 WeakPolarHBondContact O-CB 3.41Å; L2325-R2329 PolarHBondContact O-N 3.13Å
2330G69.3Low76Confident48 Ų4884.7 Ų84.750%0.49547%0.465SS..Iπ-helixtrans-83.6-54.5-17400000113.5V2326 G2334V2326-G2330 WeakPolarHBondContact O-CA 3.47Å; V2326-G2330 PolarHBondContact O-N 2.98Å; G2330-G2334 WeakPolarHBondContact O-CA 3.2Å
2331L69Low76.4Confident109 Ų10985.5 Ų85.557%0.57148%0.481SS*.Iπ-helixtrans-85.3-64.6-177.3-71.9173.3000112.1V2327 G2334 I2335V2327-L2331 HydrophobicContact CG1-CB 4.41Å; V2327-L2331 HydrophobicContact CG1-CD1 4.28Å; V2327-L2331 HydrophobicContact CG2-CD1 4.17Å; V2327-L2331 WeakPolarHBondContact O-CB 3.35Å; V2327-L2331 PolarHBondContact O-N 2.81Å; V2327-L2331 VanDerWaalsContact O-N 3.13Å; L2331-G2334 PolarHBondContact O-N 3.15Å; L2331-I2335 WeakPolarHBondContact O-CD1 3.48Å; L2331-I2335 VanDerWaalsContact O-CG1 3.29Å; L2331-I2335 WeakPolarHBondContact O-CG1 3.33Å; L2331-I2335 PolarHBondContact O-N 3.47Å
2332V74.2Confident76.7Confident61 Ų6183.5 Ų83.537%0.3747%0.472SS..Iπ-helixtrans-65.9-55.9-170.6-179.20000110.8V2327 G2334 I2335 F2336V2327-V2332 HydrophobicContact CG1-CG2 4.33Å; V2327-V2332 PolarHBondContact O-N 3.34Å; V2332-G2334 VanDerWaalsContact C-N 3.32Å; V2332-G2334 PolarHBondContact O-N 2.83Å; V2332-I2335 PolarHBondContact O-N 2.84Å; V2332-F2336 HydrophobicContact CG1-CD2 4.13Å; V2332-F2336 HydrophobicContact CG1-CE2 4.07Å; V2332-F2336 WeakPolarHBondContact O-CD2 3.41Å; V2332-F2336 PolarHBondContact O-N 3.03Å
2333R77.4Confident77.1Confident156 Ų15684 Ų8459%0.58947%0.473SS*.Hα-helixtrans-64.9-36.7177.1-174.2176.2-176.8139.41.2111.9G2328 I2335 F2336 T2337G2328-R2333 WeakPolarHBondContact O-CB 3.27Å; G2328-R2333 PolarHBondContact O-N 2.99Å; R2333-I2335 PolarHBondContact O-N 3.45Å; R2333-F2336 PolarHBondContact O-N 2.05Å; R2333-T2337 HydrophobicContact CG-CG2 3.59Å; R2333-T2337 WeakPolarHBondContact O-CB 3.44Å; R2333-T2337 WeakPolarHBondContact O-CG2 3.41Å; R2333-T2337 PolarHBondContact O-N 3.41Å; R2333-T2337 PolarHBondContact O-OG1 2.84Å
2334G73.9Confident77.6Confident21 Ų2184.6 Ų84.622%0.21647%0.472CS..Hα-helixtrans-51.1-57.3175.100000111.7G2330 L2331 V2332 F2336 T2337 T2338G2330-G2334 WeakPolarHBondContact O-CA 3.2Å; L2331-G2334 PolarHBondContact O-N 3.15Å; V2332-G2334 VanDerWaalsContact C-N 3.32Å; V2332-G2334 PolarHBondContact O-N 2.83Å; G2334-F2336 PolarHBondContact O-N 3.25Å; G2334-T2337 PolarHBondContact O-N 3.08Å; G2334-T2338 WeakPolarHBondContact O-CG2 3.37Å; G2334-T2338 PolarHBondContact O-N 3.41Å; G2334-T2338 VanDerWaalsContact O-N 3.13Å; G2334-T2338 PolarHBondContact O-OG1 2.94Å
2335I73.2Confident77.7Confident113 Ų11384.9 Ų84.958%0.57947%0.472SS*.Hα-helixtrans-57.1-45.2-179.4-66.8162.4000112.4L2331 V2332 R2333L2331-I2335 WeakPolarHBondContact O-CD1 3.48Å; L2331-I2335 VanDerWaalsContact O-CG1 3.29Å; L2331-I2335 WeakPolarHBondContact O-CG1 3.33Å; L2331-I2335 PolarHBondContact O-N 3.47Å; V2332-I2335 PolarHBondContact O-N 2.84Å; R2333-I2335 PolarHBondContact O-N 3.45Å
2336F76.8Confident77.8Confident150 Ų15081.6 Ų81.666%0.65846%0.456SS*.Hα-helixtrans-80.6-30-175.5-68.4-64000114.4V2332 R2333 G2334V2332-F2336 HydrophobicContact CG1-CD2 4.13Å; V2332-F2336 HydrophobicContact CG1-CE2 4.07Å; V2332-F2336 WeakPolarHBondContact O-CD2 3.41Å; V2332-F2336 PolarHBondContact O-N 3.03Å; R2333-F2336 PolarHBondContact O-N 2.05Å; G2334-F2336 PolarHBondContact O-N 3.25Å
2337T78.3Confident78Confident82 Ų8282.5 Ų82.550%0.50345%0.454SS..Hα-helixtrans-89.6-24.4-177.661.50000114.7R2333 G2334R2333-T2337 HydrophobicContact CG-CG2 3.59Å; R2333-T2337 WeakPolarHBondContact O-CB 3.44Å; R2333-T2337 WeakPolarHBondContact O-CG2 3.41Å; R2333-T2337 PolarHBondContact O-N 3.41Å; R2333-T2337 PolarHBondContact O-OG1 2.84Å; G2334-T2337 PolarHBondContact O-N 3.08Å
2338T73.8Confident78.6Confident73 Ų7381.3 Ų81.345%0.44845%0.446SS..Hα-helixtrans-79.6-33.1175.856.50000112.3G2334 S2341 T2342G2334-T2338 WeakPolarHBondContact O-CG2 3.37Å; G2334-T2338 PolarHBondContact O-N 3.41Å; G2334-T2338 VanDerWaalsContact O-N 3.13Å; G2334-T2338 PolarHBondContact O-OG1 2.94Å; T2338-S2341 PolarHBondContact O-N 2.71Å; T2338-S2341 PolarHBondContact O-OG 3.1Å; T2338-T2342 PolarHBondContact O-N 3.24Å
2339S76.6Confident78.9Confident64 Ų6482.6 Ų82.645%0.44845%0.449SS..Hα-helixtrans-50.5-43.7-174.3175.30000114.8S2341 T2342 V2343S2339-S2341 VanDerWaalsContact C-N 3.33Å; S2339-S2341 PolarHBondContact O-N 3.44Å; S2339-T2342 PolarHBondContact O-N 3.42Å; S2339-T2342 PolarHBondContact O-OG1 3.5Å; S2339-V2343 WeakPolarHBondContact O-CG2 3.44Å; S2339-V2343 PolarHBondContact O-N 2.85Å
2340P81.7Confident79.2Confident93 Ų9374.4 Ų74.460%0.60442%0.419SS*.Hα-helixtrans-63.1-34.2176-2435.6000114.1T2342 V2343P2340-T2342 VanDerWaalsContact C-N 3.34Å; P2340-V2343 WeakPolarHBondContact O-CG2 3.32Å
2341S80.9Confident80Confident82 Ų8272.2 Ų72.257%0.57340%0.397SS*.Hα-helixtrans-73.8-25179.567.90000113.1T2338 S2339T2338-S2341 PolarHBondContact O-N 2.71Å; T2338-S2341 PolarHBondContact O-OG 3.1Å; S2339-S2341 VanDerWaalsContact C-N 3.33Å; S2339-S2341 PolarHBondContact O-N 3.44Å
2342T83.2Confident80.6Confident49 Ų4969 Ų6930%0.30138%0.38SS..Hα-helixtrans-90.4-7.2179.3560000113.8T2338 S2339 P2340 M2344 F2345 T2346T2338-T2342 PolarHBondContact O-N 3.24Å; S2339-T2342 PolarHBondContact O-N 3.42Å; S2339-T2342 PolarHBondContact O-OG1 3.5Å; P2340-T2342 VanDerWaalsContact C-N 3.34Å; T2342-M2344 PolarHBondContact O-N 3.41Å; T2342-M2344 VanDerWaalsContact O-N 3.14Å; T2342-F2345 PolarHBondContact O-N 2.99Å; T2342-T2346 PolarHBondContact O-N 2.97Å; T2342-T2346 PolarHBondContact O-OG1 3.31Å
2343V84.5Confident80.9Confident70 Ų7066.8 Ų66.842%0.42437%0.366SS..Hα-helixtrans-51.8-41-175.4175.10000112.6S2339 P2340 F2345 T2346 E2347S2339-V2343 WeakPolarHBondContact O-CG2 3.44Å; S2339-V2343 PolarHBondContact O-N 2.85Å; P2340-V2343 WeakPolarHBondContact O-CG2 3.32Å; V2343-F2345 PolarHBondContact O-N 2.91Å; V2343-F2345 VanDerWaalsContact O-N 3.14Å; V2343-T2346 WeakPolarHBondContact CA-OG1 3.48Å; V2343-T2346 PolarHBondContact O-N 3.4Å; V2343-E2347 HydrophobicContact CG1-CB 4.31Å; V2343-E2347 HydrophobicContact CG1-CG 4.15Å; V2343-E2347 PolarHBondContact O-N 3.35Å
2344M84.3Confident81.4Confident74 Ų7459.4 Ų59.437%0.36534%0.338SS..Hα-helixtrans-59.6-23.4178.864173.7-67.400114.2T2342 P2387 L2390T2342-M2344 PolarHBondContact O-N 3.41Å; T2342-M2344 VanDerWaalsContact O-N 3.14Å; M2344-P2387 HydrophobicContact CE-CB 4.01Å; M2344-P2387 HydrophobicContact CE-CG 3.69Å; M2344-L2390 WeakPolarHBondContact O-CD2 3.26Å
2345F83.2Confident81.9Confident58 Ų5858.8 Ų58.825%0.25433%0.329SS..Hα-helixtrans-103.7-27.9176.9-51.5-60.9000112.5H1975 I1979 T2342 V2343 L2348 F2384 L2390H1975-F2345 PolarHBondContact CE1-O 3.12Å; I1979-F2345 WeakPolarHBondContact CD1-O 3.43Å; T2342-F2345 PolarHBondContact O-N 2.99Å; V2343-F2345 PolarHBondContact O-N 2.91Å; V2343-F2345 VanDerWaalsContact O-N 3.14Å; F2345-L2348 WeakPolarHBondContact O-CD1 3.46Å; F2345-L2348 WeakPolarHBondContact O-CG 3.28Å; F2345-F2384 AromaticContact CD1-CD1 3.67Å; F2345-F2384 HydrophobicContact CD1-CD1 3.67Å; F2345-F2384 AromaticContact CD1-CE1 3.94Å; F2345-F2384 HydrophobicContact CD1-CE1 3.94Å; F2345-F2384 AromaticContact CE1-CD1 3.69Å; F2345-F2384 HydrophobicContact CE1-CD1 3.69Å; F2345-F2384 HydrophobicContact CE1-CE1 4.41Å; F2345-L2390 HydrophobicContact CD1-CD2 4.17Å; F2345-L2390 HydrophobicContact CE1-CD2 4.5Å
2346T82.7Confident82.3Confident47 Ų4754.6 Ų54.629%0.28831%0.307SS..Hα-helixtrans-87.1-34.7-175.157.60000113.7T2342 V2343 L2348T2342-T2346 PolarHBondContact O-N 2.97Å; T2342-T2346 PolarHBondContact O-OG1 3.31Å; V2343-T2346 WeakPolarHBondContact CA-OG1 3.48Å; V2343-T2346 PolarHBondContact O-N 3.4Å; T2346-L2348 VanDerWaalsContact C-N 3.29Å; T2346-L2348 PolarHBondContact O-N 3.44Å
2347E84.7Confident82.7Confident122 Ų12248 Ų4857%0.5728%0.279SS*.  trans-93.844.1-175.8-67.9-64174.800113.4R1983 V2343R1983-E2347 IonicContact CZ-OE2 2.75Å; R1983-E2347 IonicContact NH1-OE2 3.55Å; R1983-E2347 IonicContact NH2-OE2 2.63Å; R1983-E2347 PolarHBondContact NH2-OE2 3.32Å; V2343-E2347 HydrophobicContact CG1-CB 4.31Å; V2343-E2347 HydrophobicContact CG1-CG 4.15Å; V2343-E2347 PolarHBondContact O-N 3.35Å
2348L87.3Confident83.1Confident5 Ų544.1 Ų44.13%0.02626%0.255CS..  trans-76.6128.9174.1-58.7177.5000109.9I1979 R1983 F2345 T2346 L2354 L2390 T2394I1979-L2348 HydrophobicContact CD1-CD1 4.11Å; I1979-L2348 HydrophobicContact CG2-CB 4.47Å; R1983-L2348 PolarHBondContact NE-O 3.06Å; R1983-L2348 PolarHBondContact NH2-O 3.29Å; F2345-L2348 WeakPolarHBondContact O-CD1 3.46Å; F2345-L2348 WeakPolarHBondContact O-CG 3.28Å; T2346-L2348 VanDerWaalsContact C-N 3.29Å; T2346-L2348 PolarHBondContact O-N 3.44Å; L2348-L2354 HydrophobicContact CD1-CD1 3.61Å; L2348-L2390 HydrophobicContact CD1-CD1 4.18Å; L2348-L2390 HydrophobicContact CD2-CD1 3.8Å; L2348-L2390 HydrophobicContact CD2-CD2 4.2Å; L2348-L2390 HydrophobicContact CD2-CG 3.89Å; L2348-T2394 HydrophobicContact CD2-CG2 4.27Å
2349P84.4Confident83.5Confident61 Ų6143.2 Ų43.240%0.39625%0.247SC..SBendtrans-70.9-51.3179.5-14.726.6000112.3T2394 M2396P2349-T2394 WeakPolarHBondContact CB-O 3.34Å; P2349-T2394 WeakPolarHBondContact CD-O 3.43Å; P2349-T2394 WeakPolarHBondContact CG-O 3.42Å; P2349-M2396 HydrophobicContact CB-CG 3.89Å
2350N83.3Confident83.8Confident24 Ų2441.5 Ų41.513%0.12823%0.233CC..  trans-121.1116.6176.1-178.49.3000109.6D2352 H2353 T2394 M2396N2350-D2352 VanDerWaalsContact OD1-CB 3.24Å; N2350-D2352 WeakPolarHBondContact OD1-CB 3.24Å; N2350-D2352 PolarHBondContact OD1-N 3.08Å; N2350-D2352 PolarHBondContact OD1-OD1 3.07Å; N2350-H2353 PolarHBondContact ND2-NE2 2.76Å; N2350-T2394 WeakPolarHBondContact CB-O 3.41Å; N2350-T2394 PolarHBondContact N-O 3.42Å; N2350-T2394 WeakPolarHBondContact O-CB 3.17Å; N2350-T2394 VanDerWaalsContact O-CG2 3.3Å; N2350-T2394 WeakPolarHBondContact O-CG2 3.31Å; N2350-M2396 HydrophobicContact CB-SD 4.23Å
2351A85.8Confident84Confident2 Ų237 Ų372%0.01720%0.204CC..  trans-94.5-4.5179.800000113.3I1976 I1979 H2353 L2354 L2355I1976-A2351 HydrophobicContact CG2-CB 4.32Å; I1979-A2351 HydrophobicContact CB-CB 4.48Å; I1979-A2351 HydrophobicContact CG2-CB 4.16Å; A2351-H2353 PolarHBondContact O-N 2.67Å; A2351-L2354 PolarHBondContact O-N 3.23Å; A2351-L2354 VanDerWaalsContact O-N 3.12Å; A2351-L2355 PolarHBondContact O-N 3.33Å
2352D82Confident84.1Confident41 Ų4134.7 Ų34.722%0.21918%0.183CC..Hα-helixtrans-69.1-37.2-163.2-63.44.6000112.2L1375 K1980 N2350 L2354 L2355 K2356L1375-D2352 HydrophobicContact CD2-CB 3.87Å; K1980-D2352 WeakPolarHBondContact CD-OD1 3.44Å; K1980-D2352 WeakPolarHBondContact CE-OD1 3.25Å; K1980-D2352 IonicContact NZ-OD1 3.62Å; K1980-D2352 PolarHBondContact NZ-OD1 3.32Å; K1980-D2352 IonicContact NZ-OD2 3.5Å; K1980-D2352 PolarHBondContact NZ-OD2 2.75Å; N2350-D2352 VanDerWaalsContact OD1-CB 3.24Å; N2350-D2352 WeakPolarHBondContact OD1-CB 3.24Å; N2350-D2352 PolarHBondContact OD1-N 3.08Å; N2350-D2352 PolarHBondContact OD1-OD1 3.07Å; D2352-L2354 VanDerWaalsContact C-N 3.31Å; D2352-L2354 PolarHBondContact O-N 3.4Å; D2352-L2355 PolarHBondContact O-N 3.45Å; D2352-K2356 WeakPolarHBondContact O-CB 3.49Å; D2352-K2356 PolarHBondContact O-N 2.91Å
2353H81.2Confident83.9Confident16 Ų1633.1 Ų33.17%0.07417%0.172CC..Hα-helixtrans-66.1-31.7175.4-56-75.2000112.9P1370 N2350 A2351 I2357 W2393P1370-H2353 PolarHBondContact O-CE1 3.38Å; N2350-H2353 PolarHBondContact ND2-NE2 2.76Å; A2351-H2353 PolarHBondContact O-N 2.67Å; H2353-I2357 WeakPolarHBondContact O-CG1 3.46Å; H2353-I2357 PolarHBondContact O-N 2.99Å; H2353-W2393 VanDerWaalsContact CB-CD1 3.5Å; H2353-W2393 PolarHBondContact CD2-O 3.33Å
2354L87Confident83.8Confident0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-75-41.2175.4-58.1179.2000111I1976 L2348 A2351 D2352 K2356 I2357 C2358 L2383 L2390 T2394I1976-L2354 HydrophobicContact CD1-CB 3.78Å; I1976-L2354 HydrophobicContact CG1-CB 4.15Å; I1976-L2354 HydrophobicContact CG1-CD1 4.45Å; I1976-L2354 HydrophobicContact CG2-CB 4.15Å; L2348-L2354 HydrophobicContact CD1-CD1 3.61Å; A2351-L2354 PolarHBondContact O-N 3.23Å; A2351-L2354 VanDerWaalsContact O-N 3.12Å; D2352-L2354 VanDerWaalsContact C-N 3.31Å; D2352-L2354 PolarHBondContact O-N 3.4Å; L2354-K2356 VanDerWaalsContact C-N 3.29Å; L2354-K2356 PolarHBondContact O-N 3.37Å; L2354-I2357 PolarHBondContact O-N 3.04Å; L2354-C2358 PolarHBondContact O-N 3.31Å; L2354-C2358 VanDerWaalsContact O-N 3.15Å; L2354-C2358 PolarHBondContact O-SG 2.89Å; L2354-L2383 HydrophobicContact CD2-CD1 3.64Å; L2354-L2383 HydrophobicContact CD2-CD2 3.52Å; L2354-L2383 HydrophobicContact CD2-CG 4.25Å; L2354-L2390 HydrophobicContact CD1-CD1 3.85Å; L2354-L2390 HydrophobicContact CD2-CD1 4.44Å; L2354-T2394 HydrophobicContact CD1-CG2 3.99Å; L2354-T2394 HydrophobicContact CG-CG2 4.18Å
2355L85.3Confident83.9Confident8 Ų826.9 Ų26.94%0.04214%0.137CC..Hα-helixtrans-61.1-40.7175.5-17662.3000111Y1928 Y1973 I1976 K1980 A2351 D2352 C2358 L2359Y1928-L2355 HydrophobicContact CE1-CD2 3.72Å; Y1973-L2355 HydrophobicContact CD2-CD1 4.05Å; Y1973-L2355 HydrophobicContact CE2-CD1 3.65Å; I1976-L2355 HydrophobicContact CG2-CB 3.82Å; I1976-L2355 HydrophobicContact CG2-CD1 4.25Å; K1980-L2355 HydrophobicContact CB-CD2 4.46Å; K1980-L2355 HydrophobicContact CG-CD2 4.13Å; A2351-L2355 PolarHBondContact O-N 3.33Å; D2352-L2355 PolarHBondContact O-N 3.45Å; L2355-C2358 PolarHBondContact O-N 3.06Å; L2355-L2359 HydrophobicContact CG-CD1 4.19Å; L2355-L2359 WeakPolarHBondContact O-CG 3.5Å; L2355-L2359 PolarHBondContact O-N 3.25Å
2356K81.6Confident83.6Confident25 Ų2527.2 Ų27.211%0.10914%0.139CC..Hα-helixtrans-56.6-50.1173.1-180172.3172.3176.80111.7D1373 D1374 D2352 L2354 C2358 L2359 D2360D1373-K2356 PolarHBondContact O-NZ 3.42Å; D1374-K2356 PolarHBondContact O-NZ 3.48Å; D2352-K2356 WeakPolarHBondContact O-CB 3.49Å; D2352-K2356 PolarHBondContact O-N 2.91Å; L2354-K2356 VanDerWaalsContact C-N 3.29Å; L2354-K2356 PolarHBondContact O-N 3.37Å; K2356-C2358 VanDerWaalsContact C-N 3.29Å; K2356-C2358 PolarHBondContact O-N 2.96Å; K2356-L2359 CarbonylContact O-C 3.5Å; K2356-L2359 PolarHBondContact O-N 3.13Å; K2356-L2359 VanDerWaalsContact O-N 3.07Å; K2356-D2360 WeakPolarHBondContact O-CB 3.46Å; K2356-D2360 PolarHBondContact O-N 3.38Å
2357I85.2Confident83.4Confident12 Ų1227.3 Ų27.36%0.06215%0.145CC..Hα-helixtrans-57.8-41.2176.6-64.5165.8000111.5H2353 L2354 D2360 I2361 L2380 L2383H2353-I2357 WeakPolarHBondContact O-CG1 3.46Å; H2353-I2357 PolarHBondContact O-N 2.99Å; L2354-I2357 PolarHBondContact O-N 3.04Å; I2357-D2360 PolarHBondContact O-N 3.48Å; I2357-I2361 HydrophobicContact CG2-CD1 4.25Å; I2357-I2361 WeakPolarHBondContact O-CG1 3.49Å; I2357-I2361 PolarHBondContact O-N 2.94Å; I2357-L2380 HydrophobicContact CB-CD1 4.49Å; I2357-L2380 HydrophobicContact CG2-CB 4.16Å; I2357-L2380 HydrophobicContact CG2-CD1 4.05Å; I2357-L2383 HydrophobicContact CD1-CD1 4.41Å
2358C87.4Confident83.3Confident0 Ų027.3 Ų27.30%014%0.143CC..Hα-helixtrans-65.8-40.4175.6-62.80000112.9Y1973 L2354 L2355 K2356 I2361 Y2362Y1973-C2358 HydrophobicContact CD2-CB 3.76Å; L2354-C2358 PolarHBondContact O-N 3.31Å; L2354-C2358 VanDerWaalsContact O-N 3.15Å; L2354-C2358 PolarHBondContact O-SG 2.89Å; L2355-C2358 PolarHBondContact O-N 3.06Å; K2356-C2358 VanDerWaalsContact C-N 3.29Å; K2356-C2358 PolarHBondContact O-N 2.96Å; C2358-I2361 PolarHBondContact O-N 2.97Å; C2358-Y2362 WeakPolarHBondContact O-CD2 3.5Å; C2358-Y2362 PolarHBondContact O-N 3.2Å
2359L81.1Confident83.2Confident54 Ų5428.1 Ų28.128%0.28315%0.147SC..Hα-helixtrans-66.8-38.4175.7-69.3172.8000112Y1973 L2355 K2356 I2361 Y2362 L2363Y1973-L2359 HydrophobicContact CE2-CD2 4.5Å; L2355-L2359 HydrophobicContact CG-CD1 4.19Å; L2355-L2359 WeakPolarHBondContact O-CG 3.5Å; L2355-L2359 PolarHBondContact O-N 3.25Å; K2356-L2359 CarbonylContact O-C 3.5Å; K2356-L2359 PolarHBondContact O-N 3.13Å; K2356-L2359 VanDerWaalsContact O-N 3.07Å; L2359-I2361 VanDerWaalsContact C-N 3.35Å; L2359-Y2362 HydrophobicContact CD2-CD2 4.49Å; L2359-Y2362 PolarHBondContact O-N 3.22Å; L2359-L2363 WeakPolarHBondContact O-CB 3.42Å; L2359-L2363 PolarHBondContact O-N 3.17Å
2360D82.8Confident83.3Confident28 Ų2828.5 Ų28.515%0.1514%0.143CC..Hα-helixtrans-62.3-41.5174.5-66.6-23.2000110.5I1332 K2356 I2357 Y2362 L2363 V2364 L2376I1332-D2360 HydrophobicContact CD1-CB 4.05Å; K2356-D2360 WeakPolarHBondContact O-CB 3.46Å; K2356-D2360 PolarHBondContact O-N 3.38Å; I2357-D2360 PolarHBondContact O-N 3.48Å; D2360-Y2362 PolarHBondContact O-N 3.35Å; D2360-L2363 PolarHBondContact O-N 2.89Å; D2360-V2364 VanDerWaalsContact O-CB 3.26Å; D2360-V2364 WeakPolarHBondContact O-CB 3.49Å; D2360-V2364 WeakPolarHBondContact O-CG2 3.36Å; D2360-V2364 PolarHBondContact O-N 3.47Å; D2360-L2376 HydrophobicContact CB-CD1 4.11Å
2361I86.9Confident83.4Confident0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-60-43.8173.5-69.4164.7000111.7M1961 M1969 I2357 C2358 L2359 R2365 E2373 L2376 F2377 L2380M1961-I2361 HydrophobicContact CE-CG2 3.79Å; M1969-I2361 HydrophobicContact CE-CG2 3.89Å; M1969-I2361 HydrophobicContact CG-CD1 4.46Å; M1969-I2361 HydrophobicContact CG-CG2 4.42Å; M1969-I2361 HydrophobicContact SD-CG2 4.31Å; I2357-I2361 HydrophobicContact CG2-CD1 4.25Å; I2357-I2361 WeakPolarHBondContact O-CG1 3.49Å; I2357-I2361 PolarHBondContact O-N 2.94Å; C2358-I2361 PolarHBondContact O-N 2.97Å; L2359-I2361 VanDerWaalsContact C-N 3.35Å; I2361-R2365 WeakPolarHBondContact O-CB 3.4Å; I2361-R2365 PolarHBondContact O-N 2.98Å; I2361-E2373 HydrophobicContact CG2-CG 4.47Å; I2361-L2376 HydrophobicContact CD1-CB 4.23Å; I2361-L2376 HydrophobicContact CG1-CB 3.62Å; I2361-L2376 HydrophobicContact CG1-CD1 4.36Å; I2361-F2377 HydrophobicContact CD1-CB 4.39Å; I2361-L2380 HydrophobicContact CD1-CD2 4.17Å
2362Y82.2Confident83.4Confident32 Ų3234.5 Ų34.513%0.12517%0.172CC..Hα-helixtrans-65.6-40176-67.5-60.7000112.6M1969 E1970 Y1973 C2358 L2359 D2360 R2365 E2366M1969-Y2362 HydrophobicContact CE-CD1 4.14Å; M1969-Y2362 HydrophobicContact CE-CE1 3.6Å; M1969-Y2362 HydrophobicContact SD-CE1 4.43Å; E1970-Y2362 PolarHBondContact OE1-OH 3.05Å; E1970-Y2362 PolarHBondContact OE2-OH 3.49Å; Y1973-Y2362 HydrophobicContact CD1-CE2 4.25Å; Y1973-Y2362 WeakPolarHBondContact CD1-OH 3.5Å; Y1973-Y2362 AromaticContact CD2-CE2 3.92Å; Y1973-Y2362 HydrophobicContact CD2-CE2 3.92Å; Y1973-Y2362 HydrophobicContact CE1-CE2 4.35Å; Y1973-Y2362 HydrophobicContact CE2-CE2 4Å; Y1973-Y2362 HydrophobicContact CG-CE2 4.03Å; C2358-Y2362 WeakPolarHBondContact O-CD2 3.5Å; C2358-Y2362 PolarHBondContact O-N 3.2Å; L2359-Y2362 HydrophobicContact CD2-CD2 4.49Å; L2359-Y2362 PolarHBondContact O-N 3.22Å; D2360-Y2362 PolarHBondContact O-N 3.35Å; Y2362-R2365 PolarHBondContact O-N 3.48Å; Y2362-E2366 PolarHBondContact O-N 3.27Å
2363L78.4Confident83.6Confident16 Ų1632.6 Ų32.68%0.08416%0.162CC..Hα-helixtrans-66.7-44.2179.9179.6149.8000111.6I1325 R1328 T1329 I1332 I1920 L2359 D2360 R2365 E2366 A2367I1325-L2363 HydrophobicContact CB-CD1 4.45Å; I1325-L2363 HydrophobicContact CG1-CD1 4.09Å; I1325-L2363 HydrophobicContact CG2-CD1 4.04Å; I1325-L2363 HydrophobicContact CG2-CD2 4.45Å; I1325-L2363 HydrophobicContact CG2-CG 3.99Å; R1328-L2363 HydrophobicContact CB-CD1 4.4Å; T1329-L2363 VanDerWaalsContact OG1-CD2 3.22Å; T1329-L2363 WeakPolarHBondContact OG1-CD2 3.34Å; I1332-L2363 HydrophobicContact CD1-CD2 4.15Å; I1920-L2363 HydrophobicContact CD1-CB 4.44Å; L2359-L2363 WeakPolarHBondContact O-CB 3.42Å; L2359-L2363 PolarHBondContact O-N 3.17Å; D2360-L2363 PolarHBondContact O-N 2.89Å; L2363-R2365 VanDerWaalsContact C-N 3.32Å; L2363-R2365 PolarHBondContact O-N 3.35Å; L2363-E2366 PolarHBondContact O-N 3.07Å; L2363-A2367 WeakPolarHBondContact O-CB 3.46Å; L2363-A2367 PolarHBondContact O-N 3.1Å
2364V84Confident83.9Confident0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-64.3-35.6175.4166.40000111.7D2360 A2367 K2368 D2369 L2372 E2373 L2376D2360-V2364 VanDerWaalsContact O-CB 3.26Å; D2360-V2364 WeakPolarHBondContact O-CB 3.49Å; D2360-V2364 WeakPolarHBondContact O-CG2 3.36Å; D2360-V2364 PolarHBondContact O-N 3.47Å; V2364-A2367 CarbonylContact O-C 3.56Å; V2364-A2367 PolarHBondContact O-N 3.28Å; V2364-K2368 PolarHBondContact O-N 3.12Å; V2364-K2368 VanDerWaalsContact O-N 3.14Å; V2364-D2369 HydrophobicContact CG1-CB 4.13Å; V2364-D2369 WeakPolarHBondContact CG1-O 3.33Å; V2364-D2369 PolarHBondContact O-N 3.46Å; V2364-D2369 VanDerWaalsContact O-N 3.08Å; V2364-L2372 HydrophobicContact CG1-CB 3.75Å; V2364-L2372 HydrophobicContact CG1-CD2 4.12Å; V2364-L2372 HydrophobicContact CG1-CG 3.92Å; V2364-L2372 HydrophobicContact CG2-CD2 3.67Å; V2364-L2372 HydrophobicContact CG2-CG 4.01Å; V2364-E2373 HydrophobicContact CG1-CB 4.15Å; V2364-L2376 HydrophobicContact CG2-CD1 3.96Å
2365R86.2Confident83.8Confident14 Ų1435.5 Ų35.55%0.05318%0.176CC..Hα-helixtrans-65.2-46.3172.3-177.4-175.9-64.3162-4.5112.7T1957 I2361 Y2362 L2363 A2367 K2368 E2373T1957-R2365 HydrophobicContact CG2-CG 4.27Å; I2361-R2365 WeakPolarHBondContact O-CB 3.4Å; I2361-R2365 PolarHBondContact O-N 2.98Å; Y2362-R2365 PolarHBondContact O-N 3.48Å; L2363-R2365 VanDerWaalsContact C-N 3.32Å; L2363-R2365 PolarHBondContact O-N 3.35Å; R2365-A2367 VanDerWaalsContact C-N 3.29Å; R2365-A2367 PolarHBondContact O-N 3.07Å; R2365-K2368 PolarHBondContact O-N 3.04Å; R2365-E2373 IonicContact CZ-OE1 3.85Å; R2365-E2373 VanDerWaalsContact CZ-OE1 3.29Å; R2365-E2373 IonicContact NE-OE1 2.66Å; R2365-E2373 PolarHBondContact NE-OE1 2.99Å; R2365-E2373 IonicContact NH2-OE1 2.82Å; R2365-E2373 PolarHBondContact NH2-OE1 3.35Å
2366E75.9Confident83.9Confident64 Ų6435.5 Ų35.530%0.29918%0.177SC..Hα-helixtrans-64.5-33.8174.9-82.5-149.8155.300112.2K1855 L1918 C1919 I1920 Y2362 L2363 K2368K1855-E2366 IonicContact NZ-OE1 2.69Å; L1918-E2366 WeakPolarHBondContact CB-OE2 3.37Å; L1918-E2366 WeakPolarHBondContact CD2-OE2 3.26Å; L1918-E2366 WeakPolarHBondContact CG-OE2 3.31Å; C1919-E2366 PolarHBondContact N-OE1 2.75Å; I1920-E2366 HydrophobicContact CD1-CB 4.21Å; I1920-E2366 HydrophobicContact CD1-CG 3.96Å; I1920-E2366 WeakPolarHBondContact CD1-OE2 3.24Å; I1920-E2366 HydrophobicContact CG1-CG 3.74Å; I1920-E2366 WeakPolarHBondContact CG1-OE2 3.33Å; Y2362-E2366 PolarHBondContact O-N 3.27Å; L2363-E2366 PolarHBondContact O-N 3.07Å; E2366-K2368 PolarHBondContact O-N 2.93Å
2367A78.6Confident84.2Confident50 Ų5034.3 Ų34.341%0.41317%0.171SC..THydrogen-bonded Turntrans-71.9-6172.200000114.3T1329 L2363 V2364 R2365 D2369T1329-A2367 HydrophobicContact CG2-CB 3.84Å; L2363-A2367 WeakPolarHBondContact O-CB 3.46Å; L2363-A2367 PolarHBondContact O-N 3.1Å; V2364-A2367 CarbonylContact O-C 3.56Å; V2364-A2367 PolarHBondContact O-N 3.28Å; R2365-A2367 VanDerWaalsContact C-N 3.29Å; R2365-A2367 PolarHBondContact O-N 3.07Å; A2367-D2369 VanDerWaalsContact C-N 3.29Å; A2367-D2369 PolarHBondContact O-N 2.86Å
2368K83Confident84.3Confident122 Ų12233.9 Ų33.953%0.5317%0.17SC..THydrogen-bonded Turntrans59.628-177.7-50.5-164.9-178.5-158.20115.3D1958 V2364 R2365 E2366 F2370D1958-K2368 WeakPolarHBondContact OD2-CE 3.46Å; D1958-K2368 IonicContact OD2-NZ 3.26Å; D1958-K2368 PolarHBondContact OD2-NZ 3.4Å; V2364-K2368 PolarHBondContact O-N 3.12Å; V2364-K2368 VanDerWaalsContact O-N 3.14Å; R2365-K2368 PolarHBondContact O-N 3.04Å; E2366-K2368 PolarHBondContact O-N 2.93Å; K2368-F2370 HydrophobicContact CB-CE2 4.31Å; K2368-F2370 HydrophobicContact CB-CZ 4.05Å; K2368-F2370 HydrophobicContact CG-CZ 4.49Å; K2368-F2370 PolarHBondContact O-N 3.08Å
2369D85Confident84.3Confident21 Ų2134.3 Ų34.311%0.11217%0.171CC..  trans-91.581.1174.7-173.3-2.4000111.1R1333 V2364 A2367 M2371 L2372 E2373R1333-D2369 IonicContact CZ-OD2 2.85Å; R1333-D2369 VanDerWaalsContact CZ-OD2 3.27Å; R1333-D2369 IonicContact NE-OD2 2.69Å; R1333-D2369 PolarHBondContact NE-OD2 2.95Å; R1333-D2369 VanDerWaalsContact NH2-CG 3.33Å; R1333-D2369 IonicContact NH2-OD1 3.27Å; R1333-D2369 IonicContact NH2-OD2 2.67Å; R1333-D2369 PolarHBondContact NH2-OD2 2.98Å; V2364-D2369 HydrophobicContact CG1-CB 4.13Å; V2364-D2369 WeakPolarHBondContact CG1-O 3.33Å; V2364-D2369 PolarHBondContact O-N 3.46Å; V2364-D2369 VanDerWaalsContact O-N 3.08Å; A2367-D2369 VanDerWaalsContact C-N 3.29Å; A2367-D2369 PolarHBondContact O-N 2.86Å; D2369-M2371 VanDerWaalsContact C-N 3.34Å; D2369-M2371 PolarHBondContact O-N 3.39Å; D2369-L2372 HydrophobicContact CB-CB 4.45Å; D2369-L2372 PolarHBondContact O-N 2.69Å; D2369-E2373 PolarHBondContact O-N 2.83Å; D2369-E2373 VanDerWaalsContact O-N 3.13Å
2370F86.5Confident84.6Confident70 Ų7031.7 Ų31.731%0.30716%0.158SC..Hα-helixtrans-69.2-22.1-170.9-61.1-51.6000115.5D1958 S1960 K2368 Q2374D1958-F2370 HydrophobicContact CB-CE1 4.47Å; D1958-F2370 HydrophobicContact CB-CZ 3.96Å; D1958-F2370 WeakPolarHBondContact O-CE1 3.36Å; S1960-F2370 PolarHBondContact OG-O 3.03Å; K2368-F2370 HydrophobicContact CB-CE2 4.31Å; K2368-F2370 HydrophobicContact CB-CZ 4.05Å; K2368-F2370 HydrophobicContact CG-CZ 4.49Å; K2368-F2370 PolarHBondContact O-N 3.08Å; F2370-Q2374 WeakPolarHBondContact O-CG 3.34Å; F2370-Q2374 PolarHBondContact O-N 3.4Å
2371M84.4Confident84.9Confident144 Ų14432.2 Ų32.271%0.70916%0.16SC*.Hα-helixtrans-72.3-47.5176-63.8-158.6-58.400110D2369 E2373 Q2374 D2375D2369-M2371 VanDerWaalsContact C-N 3.34Å; D2369-M2371 PolarHBondContact O-N 3.39Å; M2371-E2373 PolarHBondContact O-N 3.43Å; M2371-Q2374 PolarHBondContact O-N 3Å; M2371-Q2374 VanDerWaalsContact O-N 3.09Å; M2371-D2375 PolarHBondContact O-N 3.3Å; M2371-D2375 VanDerWaalsContact O-N 3.08Å
2372L85.9Confident85Confident8 Ų833.3 Ų33.34%0.04217%0.165CC..Hα-helixtrans-62.9-30.6176.3-17261.3000112.1I1332 R1333 Y1336 V2364 D2369 L2376I1332-L2372 HydrophobicContact CG2-CD1 4.32Å; I1332-L2372 HydrophobicContact CG2-CD2 3.99Å; I1332-L2372 HydrophobicContact CG2-CG 4.46Å; R1333-L2372 HydrophobicContact CB-CD2 4.21Å; Y1336-L2372 HydrophobicContact CD1-CD1 4.1Å; Y1336-L2372 HydrophobicContact CG-CD1 3.93Å; V2364-L2372 HydrophobicContact CG1-CB 3.75Å; V2364-L2372 HydrophobicContact CG1-CD2 4.12Å; V2364-L2372 HydrophobicContact CG1-CG 3.92Å; V2364-L2372 HydrophobicContact CG2-CD2 3.67Å; V2364-L2372 HydrophobicContact CG2-CG 4.01Å; D2369-L2372 HydrophobicContact CB-CB 4.45Å; D2369-L2372 PolarHBondContact O-N 2.69Å; L2372-L2376 HydrophobicContact CD1-CD1 4.4Å; L2372-L2376 HydrophobicContact CD1-CG 4.23Å; L2372-L2376 HydrophobicContact CG-CD1 4.12Å; L2372-L2376 HydrophobicContact CG-CG 4.39Å; L2372-L2376 WeakPolarHBondContact O-CB 3.48Å; L2372-L2376 VanDerWaalsContact O-CG 3.29Å; L2372-L2376 WeakPolarHBondContact O-CG 3.5Å; L2372-L2376 PolarHBondContact O-N 3.42Å
2373E88.1Confident85.2Confident0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-58.9-47.3171.2178.7-176.2-14300111.9T1959 S1960 M1961 I2361 V2364 R2365 D2369 M2371 F2377T1959-E2373 VanDerWaalsContact OG1-CD 3.31Å; T1959-E2373 PolarHBondContact OG1-OE1 3.44Å; T1959-E2373 PolarHBondContact OG1-OE2 2.99Å; S1960-E2373 PolarHBondContact N-OE2 3.2Å; S1960-E2373 PolarHBondContact OG-OE2 2.91Å; M1961-E2373 HydrophobicContact CE-CG 3.47Å; M1961-E2373 VanDerWaalsContact CE-CG 3.47Å; M1961-E2373 HydrophobicContact CG-CG 4.35Å; I2361-E2373 HydrophobicContact CG2-CG 4.47Å; V2364-E2373 HydrophobicContact CG1-CB 4.15Å; R2365-E2373 IonicContact CZ-OE1 3.85Å; R2365-E2373 VanDerWaalsContact CZ-OE1 3.29Å; R2365-E2373 IonicContact NE-OE1 2.66Å; R2365-E2373 PolarHBondContact NE-OE1 2.99Å; R2365-E2373 IonicContact NH2-OE1 2.82Å; R2365-E2373 PolarHBondContact NH2-OE1 3.35Å; D2369-E2373 PolarHBondContact O-N 2.83Å; D2369-E2373 VanDerWaalsContact O-N 3.13Å; M2371-E2373 PolarHBondContact O-N 3.43Å; E2373-F2377 WeakPolarHBondContact O-CB 3.38Å; E2373-F2377 PolarHBondContact O-N 3.11Å
2374Q86.8Confident85.6Confident42 Ų4231.9 Ų31.920%0.19616%0.159CC..Hα-helixtrans-69-40.4-178.7-65175.127.200111.8Y1354 S1960 F2370 M2371 F2377 A2378Y1354-Q2374 HydrophobicContact CD2-CG 3.96Å; Y1354-Q2374 HydrophobicContact CE2-CG 4Å; S1960-Q2374 VanDerWaalsContact CB-NE2 3.31Å; S1960-Q2374 WeakPolarHBondContact OG-CG 3.33Å; S1960-Q2374 PolarHBondContact OG-NE2 3.03Å; F2370-Q2374 WeakPolarHBondContact O-CG 3.34Å; F2370-Q2374 PolarHBondContact O-N 3.4Å; M2371-Q2374 PolarHBondContact O-N 3Å; M2371-Q2374 VanDerWaalsContact O-N 3.09Å; Q2374-F2377 PolarHBondContact O-N 3.11Å; Q2374-A2378 PolarHBondContact O-N 3.06Å
2375D84.3Confident85.8Confident35 Ų3541.1 Ų41.119%0.18719%0.194CC..Hα-helixtrans-66.7-46.2-179.5-88.4-33.8000113.2Y1336 M2371 F2377 A2378 K2379Y1336-D2375 HydrophobicContact CD1-CB 4.39Å; Y1336-D2375 HydrophobicContact CE1-CB 3.56Å; Y1336-D2375 WeakPolarHBondContact CE1-OD2 3.44Å; Y1336-D2375 HydrophobicContact CE2-CB 4.13Å; Y1336-D2375 VanDerWaalsContact CZ-CB 3.42Å; Y1336-D2375 VanDerWaalsContact OH-CB 3.3Å; Y1336-D2375 WeakPolarHBondContact OH-CB 3.29Å; Y1336-D2375 PolarHBondContact OH-OD1 3.11Å; M2371-D2375 PolarHBondContact O-N 3.3Å; M2371-D2375 VanDerWaalsContact O-N 3.08Å; D2375-F2377 VanDerWaalsContact C-N 3.28Å; D2375-F2377 PolarHBondContact O-N 3.29Å; D2375-A2378 PolarHBondContact O-N 2.66Å; D2375-K2379 PolarHBondContact O-N 3.3Å
2376L87.2Confident85.8Confident9 Ų941 Ų415%0.04720%0.195CC..Hα-helixtrans-65-34.1174-70.6173.7000111.8I1332 D2360 I2361 V2364 L2372 K2379 L2380I1332-L2376 HydrophobicContact CG2-CD1 4.18Å; I1332-L2376 HydrophobicContact CG2-CD2 4.48Å; D2360-L2376 HydrophobicContact CB-CD1 4.11Å; I2361-L2376 HydrophobicContact CD1-CB 4.23Å; I2361-L2376 HydrophobicContact CG1-CB 3.62Å; I2361-L2376 HydrophobicContact CG1-CD1 4.36Å; V2364-L2376 HydrophobicContact CG2-CD1 3.96Å; L2372-L2376 HydrophobicContact CD1-CD1 4.4Å; L2372-L2376 HydrophobicContact CD1-CG 4.23Å; L2372-L2376 HydrophobicContact CG-CD1 4.12Å; L2372-L2376 HydrophobicContact CG-CG 4.39Å; L2372-L2376 WeakPolarHBondContact O-CB 3.48Å; L2372-L2376 VanDerWaalsContact O-CG 3.29Å; L2372-L2376 WeakPolarHBondContact O-CG 3.5Å; L2372-L2376 PolarHBondContact O-N 3.42Å; L2376-K2379 WeakPolarHBondContact O-CB 3.43Å; L2376-K2379 PolarHBondContact O-N 3.3Å; L2376-L2380 PolarHBondContact O-N 2.89Å
2377F89Confident86.3Confident0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-69.9-37.9174.4-178.1-114.1000112.7M1961 D1965 M1969 I2361 E2373 Q2374 D2375 K2379 L2380 I2381M1961-F2377 HydrophobicContact CE-CB 3.56Å; M1961-F2377 HydrophobicContact CE-CD1 4.35Å; M1961-F2377 HydrophobicContact CE-CD2 3.96Å; M1961-F2377 HydrophobicContact CE-CG 3.71Å; M1961-F2377 HydrophobicContact SD-CD1 4.3Å; M1961-F2377 HydrophobicContact SD-CD2 4.16Å; M1961-F2377 HydrophobicContact SD-CE2 4.43Å; M1961-F2377 HydrophobicContact SD-CG 4.09Å; D1965-F2377 HydrophobicContact CB-CE1 3.64Å; D1965-F2377 HydrophobicContact CB-CZ 3.7Å; D1965-F2377 WeakPolarHBondContact O-CZ 3.46Å; M1969-F2377 HydrophobicContact CB-CD2 4.13Å; M1969-F2377 HydrophobicContact CB-CE2 3.74Å; M1969-F2377 HydrophobicContact CG-CD2 4.01Å; M1969-F2377 HydrophobicContact CG-CE2 4.12Å; I2361-F2377 HydrophobicContact CD1-CB 4.39Å; E2373-F2377 WeakPolarHBondContact O-CB 3.38Å; E2373-F2377 PolarHBondContact O-N 3.11Å; Q2374-F2377 PolarHBondContact O-N 3.11Å; D2375-F2377 VanDerWaalsContact C-N 3.28Å; D2375-F2377 PolarHBondContact O-N 3.29Å; F2377-K2379 VanDerWaalsContact C-N 3.34Å; F2377-L2380 PolarHBondContact O-N 3.41Å; F2377-I2381 HydrophobicContact CD1-CD1 3.9Å; F2377-I2381 HydrophobicContact CE1-CD1 3.36Å; F2377-I2381 HydrophobicContact CE1-CG1 4.3Å; F2377-I2381 HydrophobicContact CE2-CD1 4.2Å; F2377-I2381 HydrophobicContact CE2-CG1 4.34Å; F2377-I2381 HydrophobicContact CZ-CD1 3.55Å; F2377-I2381 HydrophobicContact CZ-CG1 4.15Å; F2377-I2381 PolarHBondContact O-N 2.91Å
2378A87Confident86.7Confident3 Ų342 Ų423%0.02521%0.209CC..Hα-helixtrans-61.8-41.3171.200000111.7A1357 Q2374 D2375 I2381 F2382A1357-A2378 WeakPolarHBondContact O-CB 3.32Å; Q2374-A2378 PolarHBondContact O-N 3.06Å; D2375-A2378 PolarHBondContact O-N 2.66Å; A2378-I2381 PolarHBondContact O-N 3.48Å; A2378-F2382 PolarHBondContact O-N 3.22Å
2379K86.6Confident86.8Confident8 Ų836.7 Ų36.74%0.03519%0.186CC..Hα-helixtrans-57.6-48171.9-165.7173.1-179.7170.30111.5M1365 F1366 Y1368 D2375 L2376 F2377 F2382 L2383M1365-K2379 HydrophobicContact CE-CB 3.64Å; M1365-K2379 HydrophobicContact CE-CD 4.23Å; M1365-K2379 HydrophobicContact CE-CG 3.94Å; M1365-K2379 WeakPolarHBondContact O-CE 3.37Å; M1365-K2379 PolarHBondContact O-NZ 2.96Å; F1366-K2379 HydrophobicContact CE1-CD 4.42Å; F1366-K2379 HydrophobicContact CE1-CG 3.6Å; F1366-K2379 HydrophobicContact CZ-CB 4.49Å; F1366-K2379 HydrophobicContact CZ-CG 3.56Å; F1366-K2379 WeakPolarHBondContact CZ-O 3.36Å; Y1368-K2379 PolarHBondContact OH-NZ 3.32Å; D2375-K2379 PolarHBondContact O-N 3.3Å; L2376-K2379 WeakPolarHBondContact O-CB 3.43Å; L2376-K2379 PolarHBondContact O-N 3.3Å; F2377-K2379 VanDerWaalsContact C-N 3.34Å; K2379-F2382 PolarHBondContact O-N 3.29Å; K2379-L2383 PolarHBondContact O-N 3.39Å; K2379-L2383 VanDerWaalsContact O-N 3.09Å
2380L88.6Confident86.9Confident0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-61.8-45.4178.8-170.866.3000112F1972 I2357 I2361 L2376 F2377 F2382 L2383 F2384F1972-L2380 HydrophobicContact CB-CD2 4.44Å; F1972-L2380 HydrophobicContact CD2-CD2 4.21Å; I2357-L2380 HydrophobicContact CB-CD1 4.49Å; I2357-L2380 HydrophobicContact CG2-CB 4.16Å; I2357-L2380 HydrophobicContact CG2-CD1 4.05Å; I2361-L2380 HydrophobicContact CD1-CD2 4.17Å; L2376-L2380 PolarHBondContact O-N 2.89Å; F2377-L2380 PolarHBondContact O-N 3.41Å; L2380-F2382 PolarHBondContact O-N 3.41Å; L2380-L2383 PolarHBondContact O-N 2.94Å; L2380-F2384 HydrophobicContact CD1-CD2 4.17Å; L2380-F2384 HydrophobicContact CD1-CE2 3.78Å; L2380-F2384 HydrophobicContact CG-CD2 4.12Å; L2380-F2384 HydrophobicContact CG-CE2 4.04Å; L2380-F2384 WeakPolarHBondContact O-CD2 3.46Å; L2380-F2384 PolarHBondContact O-N 2.98Å; L2380-F2384 VanDerWaalsContact O-N 3.14Å
2381I89Confident86.8Confident39 Ų3938 Ų3820%0.220%0.196CC..Hα-helixtrans-59.9-45.8176.7-77.5176.9000111.6K1358 F2377 A2378 L2383 F2384 R2385K1358-I2381 HydrophobicContact CG-CD1 3.97Å; F2377-I2381 HydrophobicContact CD1-CD1 3.9Å; F2377-I2381 HydrophobicContact CE1-CD1 3.36Å; F2377-I2381 HydrophobicContact CE1-CG1 4.3Å; F2377-I2381 HydrophobicContact CE2-CD1 4.2Å; F2377-I2381 HydrophobicContact CE2-CG1 4.34Å; F2377-I2381 HydrophobicContact CZ-CD1 3.55Å; F2377-I2381 HydrophobicContact CZ-CG1 4.15Å; F2377-I2381 PolarHBondContact O-N 2.91Å; A2378-I2381 PolarHBondContact O-N 3.48Å; I2381-L2383 VanDerWaalsContact C-N 3.35Å; I2381-L2383 PolarHBondContact O-N 3.14Å; I2381-F2384 PolarHBondContact O-N 2.79Å; I2381-R2385 WeakPolarHBondContact O-CB 3.43Å; I2381-R2385 PolarHBondContact O-N 3.15Å
2382F88.2Confident86.7Confident22 Ų2237.3 Ų37.310%0.09619%0.191CC..Hα-helixtrans-64-42-179.6-175.4-86.3000111.9G1361 Y1363 F1366 A2378 K2379 L2380 F2384 R2385 S2386G1361-F2382 WeakPolarHBondContact O-CD2 3.34Å; G1361-F2382 VanDerWaalsContact O-CE2 3.28Å; G1361-F2382 WeakPolarHBondContact O-CE2 3.4Å; Y1363-F2382 HydrophobicContact CD1-CE1 4.08Å; Y1363-F2382 HydrophobicContact CD1-CZ 4.07Å; Y1363-F2382 AromaticContact CD2-CZ 3.89Å; Y1363-F2382 HydrophobicContact CD2-CZ 3.89Å; Y1363-F2382 HydrophobicContact CE1-CE1 4.21Å; Y1363-F2382 HydrophobicContact CE1-CZ 4.07Å; Y1363-F2382 AromaticContact CE2-CZ 3.9Å; Y1363-F2382 HydrophobicContact CE2-CZ 3.9Å; Y1363-F2382 HydrophobicContact CG-CE1 4.3Å; Y1363-F2382 AromaticContact CG-CZ 3.97Å; Y1363-F2382 HydrophobicContact CG-CZ 3.97Å; Y1363-F2382 AromaticContact CZ-CZ 3.99Å; F1366-F2382 AromaticContact CD2-CD1 3.89Å; F1366-F2382 HydrophobicContact CD2-CD1 3.89Å; F1366-F2382 HydrophobicContact CD2-CE1 4.01Å; F1366-F2382 HydrophobicContact CE2-CB 4.21Å; F1366-F2382 AromaticContact CE2-CD1 3.17Å; F1366-F2382 HydrophobicContact CE2-CD1 3.17Å; F1366-F2382 AromaticContact CE2-CE1 3.74Å; F1366-F2382 HydrophobicContact CE2-CE1 3.74Å; F1366-F2382 AromaticContact CE2-CG 3.96Å; F1366-F2382 HydrophobicContact CE2-CG 3.96Å; F1366-F2382 HydrophobicContact CZ-CB 4.2Å; F1366-F2382 AromaticContact CZ-CD1 3.78Å; F1366-F2382 HydrophobicContact CZ-CD1 3.78Å; F1366-F2382 HydrophobicContact CZ-CG 4.4Å; A2378-F2382 PolarHBondContact O-N 3.22Å; K2379-F2382 PolarHBondContact O-N 3.29Å; L2380-F2382 PolarHBondContact O-N 3.41Å; F2382-F2384 VanDerWaalsContact C-N 3.33Å; F2382-F2384 PolarHBondContact O-N 3.38Å; F2382-R2385 WeakPolarHBondContact O-CA 3.42Å; F2382-R2385 WeakPolarHBondContact O-CB 3.06Å; F2382-R2385 PolarHBondContact O-N 3.17Å; F2382-S2386 PolarHBondContact O-N 3.03Å
2383L86.9Confident86.5Confident0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-60.2-43.7178.4-162.5163000110.6F1366 L2354 I2357 K2379 L2380 I2381 R2385 S2386 L2390 W2393F1366-L2383 HydrophobicContact CD1-CD1 4.22Å; F1366-L2383 HydrophobicContact CE1-CB 3.89Å; F1366-L2383 HydrophobicContact CE1-CD1 3.83Å; F1366-L2383 HydrophobicContact CE1-CG 4.13Å; F1366-L2383 HydrophobicContact CZ-CB 4.16Å; L2354-L2383 HydrophobicContact CD2-CD1 3.64Å; L2354-L2383 HydrophobicContact CD2-CD2 3.52Å; L2354-L2383 HydrophobicContact CD2-CG 4.25Å; I2357-L2383 HydrophobicContact CD1-CD1 4.41Å; K2379-L2383 PolarHBondContact O-N 3.39Å; K2379-L2383 VanDerWaalsContact O-N 3.09Å; L2380-L2383 PolarHBondContact O-N 2.94Å; I2381-L2383 VanDerWaalsContact C-N 3.35Å; I2381-L2383 PolarHBondContact O-N 3.14Å; L2383-R2385 VanDerWaalsContact C-N 3.3Å; L2383-R2385 PolarHBondContact O-N 2.95Å; L2383-S2386 PolarHBondContact O-N 2.87Å; L2383-L2390 HydrophobicContact CD2-CB 3.83Å; L2383-L2390 HydrophobicContact CD2-CD1 3.36Å; L2383-L2390 HydrophobicContact CD2-CG 4.14Å; L2383-W2393 HydrophobicContact CD1-CB 4.47Å; L2383-W2393 HydrophobicContact CD1-CD2 4.27Å; L2383-W2393 HydrophobicContact CD1-CG 4.08Å
2384F87.1Confident86.4Confident19 Ų1937.8 Ų37.88%0.08319%0.192CC..Hα-helixtrans-69-22.4172.9-80.5-65.6000114.6F1972 I1976 F2345 L2380 I2381 F2382F1972-F2384 HydrophobicContact CB-CE2 3.87Å; F1972-F2384 HydrophobicContact CB-CZ 4.29Å; F1972-F2384 HydrophobicContact CD1-CD1 4.49Å; F1972-F2384 AromaticContact CD1-CD2 3.78Å; F1972-F2384 HydrophobicContact CD1-CD2 3.78Å; F1972-F2384 HydrophobicContact CD1-CE1 4.33Å; F1972-F2384 AromaticContact CD1-CE2 3.59Å; F1972-F2384 HydrophobicContact CD1-CE2 3.59Å; F1972-F2384 HydrophobicContact CD1-CG 4.24Å; F1972-F2384 AromaticContact CD1-CZ 3.89Å; F1972-F2384 HydrophobicContact CD1-CZ 3.89Å; F1972-F2384 HydrophobicContact CD2-CD2 4.24Å; F1972-F2384 HydrophobicContact CD2-CE2 4.24Å; F1972-F2384 HydrophobicContact CE1-CB 4.46Å; F1972-F2384 HydrophobicContact CE1-CD1 4.42Å; F1972-F2384 AromaticContact CE1-CD2 3.86Å; F1972-F2384 HydrophobicContact CE1-CD2 3.86Å; F1972-F2384 HydrophobicContact CE1-CE2 4.16Å; F1972-F2384 HydrophobicContact CE1-CG 4.01Å; F1972-F2384 HydrophobicContact CE2-CD2 4.32Å; F1972-F2384 AromaticContact CG-CD2 4Å; F1972-F2384 HydrophobicContact CG-CD2 4Å; F1972-F2384 AromaticContact CG-CE2 3.65Å; F1972-F2384 HydrophobicContact CG-CE2 3.65Å; F1972-F2384 HydrophobicContact CG-CZ 4.26Å; F1972-F2384 HydrophobicContact CZ-CD2 4.14Å; F1972-F2384 HydrophobicContact CZ-CG 4.42Å; I1976-F2384 HydrophobicContact CD1-CE2 4.21Å; I1976-F2384 HydrophobicContact CD1-CZ 3.92Å; I1976-F2384 HydrophobicContact CG1-CZ 4.16Å; F2345-F2384 AromaticContact CD1-CD1 3.67Å; F2345-F2384 HydrophobicContact CD1-CD1 3.67Å; F2345-F2384 AromaticContact CD1-CE1 3.94Å; F2345-F2384 HydrophobicContact CD1-CE1 3.94Å; F2345-F2384 AromaticContact CE1-CD1 3.69Å; F2345-F2384 HydrophobicContact CE1-CD1 3.69Å; F2345-F2384 HydrophobicContact CE1-CE1 4.41Å; L2380-F2384 HydrophobicContact CD1-CD2 4.17Å; L2380-F2384 HydrophobicContact CD1-CE2 3.78Å; L2380-F2384 HydrophobicContact CG-CD2 4.12Å; L2380-F2384 HydrophobicContact CG-CE2 4.04Å; L2380-F2384 WeakPolarHBondContact O-CD2 3.46Å; L2380-F2384 PolarHBondContact O-N 2.98Å; L2380-F2384 VanDerWaalsContact O-N 3.14Å; I2381-F2384 PolarHBondContact O-N 2.79Å; F2382-F2384 VanDerWaalsContact C-N 3.33Å; F2382-F2384 PolarHBondContact O-N 3.38Å
2385R87.5Confident86Confident194 Ų19442 Ų4273%0.73221%0.206SC*.Hα-helixtrans-80-23.7177.3-170.4178.2179.8-165.3-2.5113.2I2381 F2382 L2383I2381-R2385 WeakPolarHBondContact O-CB 3.43Å; I2381-R2385 PolarHBondContact O-N 3.15Å; F2382-R2385 WeakPolarHBondContact O-CA 3.42Å; F2382-R2385 WeakPolarHBondContact O-CB 3.06Å; F2382-R2385 PolarHBondContact O-N 3.17Å; L2383-R2385 VanDerWaalsContact C-N 3.3Å; L2383-R2385 PolarHBondContact O-N 2.95Å
2386S87.2Confident85.3Confident12 Ų1245.7 Ų45.78%0.08422%0.224CC..  trans-116.6101.6-177.4166.50000111.4F2382 L2383 A2388 T2389 L2390F2382-S2386 PolarHBondContact O-N 3.03Å; L2383-S2386 PolarHBondContact O-N 2.87Å; S2386-A2388 VanDerWaalsContact C-N 3.26Å; S2386-A2388 PolarHBondContact O-N 3.15Å; S2386-T2389 WeakPolarHBondContact CB-OG1 3.28Å; S2386-T2389 PolarHBondContact O-N 3.28Å; S2386-T2389 PolarHBondContact O-OG1 3.07Å; S2386-T2389 PolarHBondContact OG-OG1 2.79Å; S2386-L2390 PolarHBondContact O-N 2.74Å; S2386-L2390 VanDerWaalsContact O-N 3.13Å
2387P86.1Confident84Confident64 Ų6447.8 Ų47.842%0.41624%0.239SC..Hα-helixtrans-61.2-31.8-178.1-20.729.9000113.8M2344 L2390 I2391M2344-P2387 HydrophobicContact CE-CB 4.01Å; M2344-P2387 HydrophobicContact CE-CG 3.69Å; P2387-L2390 PolarHBondContact O-N 2.95Å; P2387-I2391 VanDerWaalsContact O-CG1 3.31Å; P2387-I2391 WeakPolarHBondContact O-CG1 3.37Å; P2387-I2391 PolarHBondContact O-N 2.91Å
2388A85.6Confident82.3Confident70 Ų7056.3 Ų56.358%0.57928%0.276SS*.Hα-helixtrans-65.9-49.7-178.800000111.5S2386 L2390 I2391 E2392S2386-A2388 VanDerWaalsContact C-N 3.26Å; S2386-A2388 PolarHBondContact O-N 3.15Å; A2388-L2390 VanDerWaalsContact C-N 3.33Å; A2388-L2390 PolarHBondContact O-N 3.39Å; A2388-I2391 PolarHBondContact O-N 2.69Å; A2388-E2392 PolarHBondContact O-N 3.41Å
2389T85.2Confident80.4Confident10 Ų1062.3 Ų62.36%0.06130%0.301CS..Hα-helixtrans-66.2-35.4176.646.50000111.8Y1363 S2386 I2391 E2392 W2393Y1363-T2389 HydrophobicContact CD1-CG2 3.74Å; Y1363-T2389 HydrophobicContact CE1-CG2 3.81Å; S2386-T2389 WeakPolarHBondContact CB-OG1 3.28Å; S2386-T2389 PolarHBondContact O-N 3.28Å; S2386-T2389 PolarHBondContact O-OG1 3.07Å; S2386-T2389 PolarHBondContact OG-OG1 2.79Å; T2389-I2391 PolarHBondContact O-N 3.09Å; T2389-E2392 PolarHBondContact O-N 2.99Å; T2389-W2393 VanDerWaalsContact O-CB 3.26Å; T2389-W2393 WeakPolarHBondContact O-CB 3.07Å; T2389-W2393 PolarHBondContact O-N 3.16Å
2390L86.9Confident78.4Confident1 Ų165.6 Ų65.61%0.00532%0.316CS..Hα-helixtrans-59.5-44.4173.417459.4000112.2M2344 F2345 L2348 L2354 L2383 S2386 P2387 A2388 T2394M2344-L2390 WeakPolarHBondContact O-CD2 3.26Å; F2345-L2390 HydrophobicContact CD1-CD2 4.17Å; F2345-L2390 HydrophobicContact CE1-CD2 4.5Å; L2348-L2390 HydrophobicContact CD1-CD1 4.18Å; L2348-L2390 HydrophobicContact CD2-CD1 3.8Å; L2348-L2390 HydrophobicContact CD2-CD2 4.2Å; L2348-L2390 HydrophobicContact CD2-CG 3.89Å; L2354-L2390 HydrophobicContact CD1-CD1 3.85Å; L2354-L2390 HydrophobicContact CD2-CD1 4.44Å; L2383-L2390 HydrophobicContact CD2-CB 3.83Å; L2383-L2390 HydrophobicContact CD2-CD1 3.36Å; L2383-L2390 HydrophobicContact CD2-CG 4.14Å; S2386-L2390 PolarHBondContact O-N 2.74Å; S2386-L2390 VanDerWaalsContact O-N 3.13Å; P2387-L2390 PolarHBondContact O-N 2.95Å; A2388-L2390 VanDerWaalsContact C-N 3.33Å; A2388-L2390 PolarHBondContact O-N 3.39Å; L2390-T2394 HydrophobicContact CD1-CG2 4.07Å; L2390-T2394 WeakPolarHBondContact O-CB 3.24Å; L2390-T2394 VanDerWaalsContact O-CG2 3.3Å; L2390-T2394 WeakPolarHBondContact O-CG2 3.37Å; L2390-T2394 PolarHBondContact O-N 2.81Å; L2390-T2394 PolarHBondContact O-OG1 3.44Å
2391I85.5Confident76.1Confident119 Ų11973 Ų7361%0.6135%0.35SS*.Hα-helixtrans-68.1-42.5178-69.5165.2000111.3P2387 A2388 T2389 W2393 T2394 R2395P2387-I2391 VanDerWaalsContact O-CG1 3.31Å; P2387-I2391 WeakPolarHBondContact O-CG1 3.37Å; P2387-I2391 PolarHBondContact O-N 2.91Å; A2388-I2391 PolarHBondContact O-N 2.69Å; T2389-I2391 PolarHBondContact O-N 3.09Å; I2391-W2393 VanDerWaalsContact C-N 3.33Å; I2391-W2393 PolarHBondContact O-N 3.08Å; I2391-T2394 PolarHBondContact O-N 3.18Å; I2391-R2395 PolarHBondContact O-N 2.87Å
2392E82.3Confident73.6Confident129 Ų12980.2 Ų80.260%0.60338%0.383SS*.Hα-helixtrans-61.9-40.8178.9-174.3170.8-166.800112.3A2388 T2389A2388-E2392 PolarHBondContact O-N 3.41Å; T2389-E2392 PolarHBondContact O-N 2.99Å
2393W81Confident72.9Confident15 Ų1583.2 Ų83.26%0.05740%0.398CS..Hα-helixtrans-75.1-19.7-179.3-153.2-83.2000114.5F1366 Y1368 P1370 H2353 L2383 T2389 I2391F1366-W2393 VanDerWaalsContact CA-CZ3 3.45Å; F1366-W2393 HydrophobicContact CB-CE3 4.03Å; F1366-W2393 HydrophobicContact CB-CH2 4.39Å; F1366-W2393 HydrophobicContact CB-CZ3 3.55Å; F1366-W2393 HydrophobicContact CD1-CD2 4.47Å; F1366-W2393 AromaticContact CD1-CE3 3.88Å; F1366-W2393 HydrophobicContact CD1-CE3 3.88Å; F1366-W2393 AromaticContact CD1-CH2 3.95Å; F1366-W2393 HydrophobicContact CD1-CH2 3.95Å; F1366-W2393 AromaticContact CD1-CZ3 3.65Å; F1366-W2393 HydrophobicContact CD1-CZ3 3.65Å; F1366-W2393 HydrophobicContact CG-CE3 4.44Å; F1366-W2393 HydrophobicContact CG-CZ3 4.08Å; F1366-W2393 WeakPolarHBondContact O-CZ3 3.33Å; Y1368-W2393 HydrophobicContact CD1-CH2 4.27Å; Y1368-W2393 AromaticContact CE1-CH2 3.65Å; Y1368-W2393 HydrophobicContact CE1-CH2 3.65Å; Y1368-W2393 HydrophobicContact CE1-CZ2 4.43Å; Y1368-W2393 HydrophobicContact CE2-CH2 4.05Å; Y1368-W2393 HydrophobicContact CE2-CZ2 4.38Å; Y1368-W2393 AromaticContact CZ-CH2 3.54Å; Y1368-W2393 AromaticContact CZ-CZ2 3.92Å; P1370-W2393 HydrophobicContact CB-CD2 4.35Å; P1370-W2393 HydrophobicContact CB-CZ2 4.32Å; P1370-W2393 HydrophobicContact CG-CD2 4.44Å; H2353-W2393 VanDerWaalsContact CB-CD1 3.5Å; H2353-W2393 PolarHBondContact CD2-O 3.33Å; L2383-W2393 HydrophobicContact CD1-CB 4.47Å; L2383-W2393 HydrophobicContact CD1-CD2 4.27Å; L2383-W2393 HydrophobicContact CD1-CG 4.08Å; T2389-W2393 VanDerWaalsContact O-CB 3.26Å; T2389-W2393 WeakPolarHBondContact O-CB 3.07Å; T2389-W2393 PolarHBondContact O-N 3.16Å; I2391-W2393 VanDerWaalsContact C-N 3.33Å; I2391-W2393 PolarHBondContact O-N 3.08Å
2394T85.7Confident72.1Confident2 Ų287.5 Ų87.51%0.01242%0.419CS..THydrogen-bonded Turntrans-110.79.9-173580000114.2L2348 P2349 N2350 L2354 L2390 I2391L2348-T2394 HydrophobicContact CD2-CG2 4.27Å; P2349-T2394 WeakPolarHBondContact CB-O 3.34Å; P2349-T2394 WeakPolarHBondContact CD-O 3.43Å; P2349-T2394 WeakPolarHBondContact CG-O 3.42Å; N2350-T2394 WeakPolarHBondContact CB-O 3.41Å; N2350-T2394 PolarHBondContact N-O 3.42Å; N2350-T2394 WeakPolarHBondContact O-CB 3.17Å; N2350-T2394 VanDerWaalsContact O-CG2 3.3Å; N2350-T2394 WeakPolarHBondContact O-CG2 3.31Å; L2354-T2394 HydrophobicContact CD1-CG2 3.99Å; L2354-T2394 HydrophobicContact CG-CG2 4.18Å; L2390-T2394 HydrophobicContact CD1-CG2 4.07Å; L2390-T2394 WeakPolarHBondContact O-CB 3.24Å; L2390-T2394 VanDerWaalsContact O-CG2 3.3Å; L2390-T2394 WeakPolarHBondContact O-CG2 3.37Å; L2390-T2394 PolarHBondContact O-N 2.81Å; L2390-T2394 PolarHBondContact O-OG1 3.44Å; I2391-T2394 PolarHBondContact O-N 3.18Å
2395R79.3Confident71.3Confident130 Ų13091.3 Ų91.349%0.49144%0.437SS..  trans-68.6146.6177.4-173170.9174.7163.3-4.3111.9I2391 K2399I2391-R2395 PolarHBondContact O-N 2.87Å; R2395-K2399 VanDerWaalsContact CZ-O 3.25Å; R2395-K2399 PolarHBondContact NE-O 3Å; R2395-K2399 VanDerWaalsContact NE-O 3.12Å; R2395-K2399 PolarHBondContact NH2-O 2.73Å
2396M69.9Low70.4Confident114 Ų11485.3 Ų85.356%0.56242%0.42SS*.  trans-74127.6175.5-68-73.3-8300111.5P2349 N2350 K2398 K2399P2349-M2396 HydrophobicContact CB-CG 3.89Å; N2350-M2396 HydrophobicContact CB-SD 4.23Å; M2396-K2398 PolarHBondContact O-N 3.02Å; M2396-K2399 PolarHBondContact O-N 2.69Å
2397S58.8Low69.3Low53 Ų5389.9 Ų89.937%0.37144%0.441SS..G310 helixtrans-48.7-46.7-173.6178.70000115E1371 K2399 K2400E1371-S2397 VanDerWaalsContact OE1-CA 3.28Å; E1371-S2397 WeakPolarHBondContact OE1-CA 3.33Å; E1371-S2397 WeakPolarHBondContact OE1-CB 3.46Å; E1371-S2397 PolarHBondContact OE1-OG 2.77Å; S2397-K2399 PolarHBondContact O-N 3.14Å; S2397-K2400 PolarHBondContact O-N 3.2Å
2398K54.4Low68.2Low179 Ų17991.6 Ų91.678%0.77844%0.443SS*.G310 helixtrans-55.2-18.5179.9-74.8-171.4175.2-178.60115M2396M2396-K2398 PolarHBondContact O-N 3.02Å
2399K45.8Very low66.9Low128 Ų12893.1 Ų93.156%0.55743%0.433SS*.G310 helixtrans-105.110.1-179.7-130.9-173.1-172.4-1710113.9R2395 M2396 S2397R2395-K2399 VanDerWaalsContact CZ-O 3.25Å; R2395-K2399 PolarHBondContact NE-O 3Å; R2395-K2399 VanDerWaalsContact NE-O 3.12Å; R2395-K2399 PolarHBondContact NH2-O 2.73Å; M2396-K2399 PolarHBondContact O-N 2.69Å; S2397-K2399 PolarHBondContact O-N 3.14Å
2400K44.8Very low65.5Low78 Ų7899.5 Ų99.534%0.33946%0.462SS..THydrogen-bonded Turntrans-105-20.8170.9-127.2-175177.9-174.90111.3D1369 S2397D1369-K2400 IonicContact OD1-NZ 3.15Å; D1369-K2400 PolarHBondContact OD1-NZ 2.89Å; S2397-K2400 PolarHBondContact O-N 3.2Å
2401Q40.6Very low63.8Low155 Ų155107.8 Ų107.872%0.72450%0.5SS*.  trans-91.4-16173.5-62.8177.2-6.700113
2402E37Very low61.8Low191 Ų191106.7 Ų106.789%0.89349%0.49SS*.  trans-84.40161-71.9178.7169.700110.6

Retrieved 2,402 of 2,402 residues in 487.6 ms (Link to these results)

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